smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CCCC[C@H]1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000700882865 954878567 /nfs/dbraw/zinc/87/85/67/954878567.db2.gz OUKXPWAXHYRVNJ-KBPBESRZSA-N 0 0 269.429 3.636 10 0 CHAERN C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C(=O)[O-] ZINC000717530380 955142952 /nfs/dbraw/zinc/14/29/52/955142952.db2.gz GHLPIIQJCROYKQ-IUODEOHRSA-N 0 0 275.392 3.689 10 0 CHAERN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC000708945615 969036464 /nfs/dbraw/zinc/03/64/64/969036464.db2.gz MSZPLLKWMXORQD-GXTWGEPZSA-N 0 0 275.392 3.689 10 0 CHAERN C[N@H+](Cc1csc(C(=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000689152634 976233783 /nfs/dbraw/zinc/23/37/83/976233783.db2.gz FMTOZILMHKVWCK-UHFFFAOYSA-N 0 0 295.791 3.732 10 0 CHAERN CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(C(=O)[O-])sc1C ZINC000695127381 976781980 /nfs/dbraw/zinc/78/19/80/976781980.db2.gz VCMAIKOVNKDNOA-SNVBAGLBSA-N 0 0 269.410 3.669 10 0 CHAERN O=C([O-])c1sccc1C[NH2+]CC1CCC2(CC2)CC1 ZINC000695663721 976799975 /nfs/dbraw/zinc/79/99/75/976799975.db2.gz IYSRHEVUZPICHE-UHFFFAOYSA-N 0 0 279.405 3.506 10 0 CHAERN O=C([O-])c1sccc1C[NH2+]C1CCC(C2CCC2)CC1 ZINC000695945899 976807004 /nfs/dbraw/zinc/80/70/04/976807004.db2.gz AFNVHVBKGVXCEI-UHFFFAOYSA-N 0 0 293.432 3.895 10 0 CHAERN CC(C)(C)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000708555639 977436863 /nfs/dbraw/zinc/43/68/63/977436863.db2.gz NDJMIYLMIOOKSE-LSDHHAIUSA-N 0 0 275.392 3.570 10 0 CHAERN CCC(C)(C)C(=O)NCCCCOCc1ccccc1 ZINC000102608242 1125308079 /nfs/dbraw/zinc/30/80/79/1125308079.db2.gz ARAFRWBTEKJXIP-UHFFFAOYSA-N 0 0 277.408 3.536 10 0 CHAERN Cc1ccc(CN2CCC[C@H]2c2csc(C)n2)o1 ZINC000189939742 1126936746 /nfs/dbraw/zinc/93/67/46/1126936746.db2.gz BVLMFIZVLSQUJX-AWEZNQCLSA-N 0 0 262.378 3.690 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1CCCC12CCCC2 ZINC000365535951 1118050214 /nfs/dbraw/zinc/05/02/14/1118050214.db2.gz IVETUTINBKNBLJ-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN CCN(Cc1nnc(-c2ccccc2)n1C)c1ccccc1 ZINC000103468994 1118221907 /nfs/dbraw/zinc/22/19/07/1118221907.db2.gz CTVDXILBXUGNSD-UHFFFAOYSA-N 0 0 292.386 3.509 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)O[C@@H](C)C(F)(F)F ZINC000588402018 1118546905 /nfs/dbraw/zinc/54/69/05/1118546905.db2.gz ASQZYVHZOBDIEV-IEHMKBBKSA-N 0 0 272.266 3.892 10 0 CHAERN CC(C)OCCCCNC(=O)/C=C\c1ccccc1Cl ZINC000588424019 1118667554 /nfs/dbraw/zinc/66/75/54/1118667554.db2.gz UDDZKJXIDCZSDS-KTKRTIGZSA-N 0 0 295.810 3.675 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\SCc2ccco2)C[C@@H](C)O1 ZINC000588448943 1118789360 /nfs/dbraw/zinc/78/93/60/1118789360.db2.gz BMBFOIDZTDRFIJ-LWSHCTJVSA-N 0 0 296.388 3.526 10 0 CHAERN Cc1cccc(N(C)C(=O)/C=C\c2ncccc2C)c1C ZINC000588452437 1118798375 /nfs/dbraw/zinc/79/83/75/1118798375.db2.gz QMGRVENWQLOADI-KHPPLWFESA-N 0 0 280.371 3.683 10 0 CHAERN Cc1ccc([C@@H](C)CNC(=O)/C=C\c2ncccc2C)cc1 ZINC000588453247 1118798698 /nfs/dbraw/zinc/79/86/98/1118798698.db2.gz HFKCKWZPODNSTB-SNGWPZLWSA-N 0 0 294.398 3.632 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N[C@@H](C)CCc1ccccc1 ZINC000588452308 1118798879 /nfs/dbraw/zinc/79/88/79/1118798879.db2.gz FRCCUZJWBWNRKL-AHKFDXCISA-N 0 0 294.398 3.541 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H]1CCC(C)C ZINC000588453426 1118799399 /nfs/dbraw/zinc/79/93/99/1118799399.db2.gz OGBVWZFDGNZWJM-SNGWPZLWSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(F)cc(Cl)c1 ZINC000588453448 1118800297 /nfs/dbraw/zinc/80/02/97/1118800297.db2.gz BUSZKCCAUFNYTF-PLNGDYQASA-N 0 0 290.725 3.834 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)Cc1ccccc1 ZINC000588456400 1118804142 /nfs/dbraw/zinc/80/41/42/1118804142.db2.gz FBQBIRKRAWYOLO-WOLCWHLNSA-N 0 0 281.355 3.578 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)N1CCCC2(CC2)C1 ZINC000588491559 1118969857 /nfs/dbraw/zinc/96/98/57/1118969857.db2.gz OYDZIFDGPLOWEJ-SREVYHEPSA-N 0 0 275.779 3.756 10 0 CHAERN Cc1cc(CSCC(=O)N[C@@H](C)CCCC(C)C)no1 ZINC000105626293 1118984484 /nfs/dbraw/zinc/98/44/84/1118984484.db2.gz YAIDVKRMTIHFLQ-LBPRGKRZSA-N 0 0 298.452 3.547 10 0 CHAERN CCCC[C@@H](C)OC(=O)/C=C\c1scnc1C ZINC000588522041 1119090849 /nfs/dbraw/zinc/09/08/49/1119090849.db2.gz PDUYVVMVMMMUMG-GQYWMQPJSA-N 0 0 253.367 3.587 10 0 CHAERN CC[C@@H](C)c1ccc(OC(=O)/C=C\c2ccncn2)cc1 ZINC000588539255 1119153589 /nfs/dbraw/zinc/15/35/89/1119153589.db2.gz UGOAECBEWXEJGU-OYVUYXNMSA-N 0 0 282.343 3.609 10 0 CHAERN C/C=C(\CC)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000588567757 1119313423 /nfs/dbraw/zinc/31/34/23/1119313423.db2.gz SJESMFHIIOEQAW-CGGZTBSLSA-N 0 0 267.319 3.541 10 0 CHAERN C/C=C(/CC)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000588571999 1119328980 /nfs/dbraw/zinc/32/89/80/1119328980.db2.gz MYNNHNWYZWWWDA-JYOAFUTRSA-N 0 0 296.374 3.644 10 0 CHAERN C[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCC(=O)c3cccn32)n1 ZINC000329571264 1119437440 /nfs/dbraw/zinc/43/74/40/1119437440.db2.gz IWYRPRKXMPUNJD-BZPMIXESSA-N 0 0 299.374 3.731 10 0 CHAERN Cc1ccc([C@H](C)NCc2cn3cc(Cl)ccc3n2)o1 ZINC000105863555 1120044822 /nfs/dbraw/zinc/04/48/22/1120044822.db2.gz RKBZWPDVDVMNGV-NSHDSACASA-N 0 0 289.766 3.740 10 0 CHAERN CCC[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccn1 ZINC000179894711 1120257057 /nfs/dbraw/zinc/25/70/57/1120257057.db2.gz DIXCCAUVZVVLGX-INIZCTEOSA-N 0 0 297.402 3.864 10 0 CHAERN CC1(C)[C@H](Nc2ccsc2Cl)[C@@H]2CCO[C@@H]21 ZINC000309377323 1120285547 /nfs/dbraw/zinc/28/55/47/1120285547.db2.gz CVAMPHVVUJOGRT-SFGNSQDASA-N 0 0 257.786 3.627 10 0 CHAERN CC1(C)CCCCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000408301902 1121011895 /nfs/dbraw/zinc/01/18/95/1121011895.db2.gz WFICQZVMJHRXPQ-UHFFFAOYSA-N 0 0 288.347 3.587 10 0 CHAERN CC[C@@H](C)c1ccc(OC(=O)c2ncoc2C)cc1 ZINC000105755270 1123066367 /nfs/dbraw/zinc/06/63/67/1123066367.db2.gz PKAWVKOGKMNGIF-SNVBAGLBSA-N 0 0 259.305 3.716 10 0 CHAERN CC[C@@H](COC(=O)CCCCOC)c1ccccc1 ZINC000105774608 1123070095 /nfs/dbraw/zinc/07/00/95/1123070095.db2.gz BSAQNACMDMLJEG-AWEZNQCLSA-N 0 0 264.365 3.540 10 0 CHAERN CCc1oc(C(=O)N[C@H]2CCCc3c(O)cccc32)cc1C ZINC000190324363 1123154601 /nfs/dbraw/zinc/15/46/01/1123154601.db2.gz RRVNESFGZWFZCY-AWEZNQCLSA-N 0 0 299.370 3.663 10 0 CHAERN Cc1cc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)on1 ZINC000191685303 1125327476 /nfs/dbraw/zinc/32/74/76/1125327476.db2.gz ZFKFOMRJTBCNDS-GFCCVEGCSA-N 0 0 292.329 3.641 10 0 CHAERN O=C(O[C@H](c1ccccc1)c1cccnc1)C1CCCC1 ZINC000102969016 1129674003 /nfs/dbraw/zinc/67/40/03/1129674003.db2.gz DNRJLGQXFDDRCA-QGZVFWFLSA-N 0 0 281.355 3.904 10 0 CHAERN CC(C)[C@H](CC(=O)OCC(F)(F)F)c1ccccc1 ZINC000103220390 1129726532 /nfs/dbraw/zinc/72/65/32/1129726532.db2.gz CSCVYXFKVZFAIB-LBPRGKRZSA-N 0 0 274.282 3.922 10 0 CHAERN CS[C@H](C)C(=O)OCCCc1nc2ccccc2s1 ZINC000103336261 1129745784 /nfs/dbraw/zinc/74/57/84/1129745784.db2.gz RXVPDKMRZWMFRW-SNVBAGLBSA-N 0 0 295.429 3.524 10 0 CHAERN O=Cc1c(Br)cccc1OCc1ccccc1 ZINC000095616824 185016247 /nfs/dbraw/zinc/01/62/47/185016247.db2.gz WUBKFUFQVXYNDV-UHFFFAOYSA-N 0 0 291.144 3.841 10 0 CHAERN CSc1ccc(Br)c(OC2CC2)c1 ZINC000095732339 185022466 /nfs/dbraw/zinc/02/24/66/185022466.db2.gz BNLMHIWPPSPPIQ-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN CSc1cc(Br)cc(OC2CC2)c1 ZINC000095732288 185022705 /nfs/dbraw/zinc/02/27/05/185022705.db2.gz JIIHESLLWFSMQC-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN O=c1cc(-c2cccc(Cl)c2)oc2ccc(O)cc12 ZINC000095775445 185028171 /nfs/dbraw/zinc/02/81/71/185028171.db2.gz NVZHXUKIOXEOTK-UHFFFAOYSA-N 0 0 272.687 3.819 10 0 CHAERN COC(=O)c1nc(-c2ccc(F)cc2)oc1-c1ccccc1 ZINC000095835984 185029856 /nfs/dbraw/zinc/02/98/56/185029856.db2.gz GSAWABXHNUDDJT-UHFFFAOYSA-N 0 0 297.285 3.934 10 0 CHAERN Cc1ccc(Nc2ncc(N)cc2C)cc1Br ZINC000082586892 178123814 /nfs/dbraw/zinc/12/38/14/178123814.db2.gz HQFVPOYFDNLAHC-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN O=C(/C=C\c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000095938843 185034965 /nfs/dbraw/zinc/03/49/65/185034965.db2.gz OZCYLOGVLMAILR-ALCCZGGFSA-N 0 0 267.731 3.505 10 0 CHAERN CCc1ccccc1NC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082698323 178198220 /nfs/dbraw/zinc/19/82/20/178198220.db2.gz KVNMSUMEKOAECZ-UHFFFAOYSA-N 0 0 282.387 3.748 10 0 CHAERN COc1ccc(CCNc2ccc(F)cc2F)cc1 ZINC000082712250 178225044 /nfs/dbraw/zinc/22/50/44/178225044.db2.gz WUOYPTASQMYXRB-UHFFFAOYSA-N 0 0 263.287 3.628 10 0 CHAERN Cc1cc(Br)c2ccnc(Cl)c2c1 ZINC000082766615 178280666 /nfs/dbraw/zinc/28/06/66/178280666.db2.gz SKEODLDEBNOWAI-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC[C@H](O)c1c(C)cc(C)c(Br)c1C ZINC000083161594 178345696 /nfs/dbraw/zinc/34/56/96/178345696.db2.gz KLGUQGXJOXQCHQ-JTQLQIEISA-N 0 0 257.171 3.818 10 0 CHAERN COC(=O)c1nc(C)sc1-c1ccccc1Cl ZINC000083239195 178365911 /nfs/dbraw/zinc/36/59/11/178365911.db2.gz OSJMRXWFOHZHBC-UHFFFAOYSA-N 0 0 267.737 3.559 10 0 CHAERN Cc1nc(Cl)c2cccc(N)c2c1Br ZINC000096856421 185117339 /nfs/dbraw/zinc/11/73/39/185117339.db2.gz SAODGFBMXRMAET-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN Fc1ccc(F)c(-c2csc(Br)n2)c1 ZINC000096981543 185145039 /nfs/dbraw/zinc/14/50/39/185145039.db2.gz JBMQLOONFGCHQF-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN CCc1ccc(Br)cc1Br ZINC000097436562 185603809 /nfs/dbraw/zinc/60/38/09/185603809.db2.gz KSHOAMYVHOIVHU-UHFFFAOYSA-N 0 0 263.960 3.774 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N1CCC[C@@H](C)[C@H]1C ZINC000103926637 136524923 /nfs/dbraw/zinc/52/49/23/136524923.db2.gz CDXFRBMPYMEBEC-UTUOFQBUSA-N 0 0 251.345 3.504 10 0 CHAERN CC(C)C(=O)CCC(=O)c1ccc(Br)cc1 ZINC000085347811 179029022 /nfs/dbraw/zinc/02/90/22/179029022.db2.gz YAHZUTJCTQJXAO-UHFFFAOYSA-N 0 0 283.165 3.637 10 0 CHAERN Cc1ccc2c(c1)CCCN2Cc1ccccc1N ZINC000019806441 136578574 /nfs/dbraw/zinc/57/85/74/136578574.db2.gz OJDLMDIJTMQVPA-UHFFFAOYSA-N 0 0 252.361 3.530 10 0 CHAERN CCn1c2ccc(F)cc2nc1-c1ccc(N)s1 ZINC000102938705 185799475 /nfs/dbraw/zinc/79/94/75/185799475.db2.gz BQLMOESWHSTGIR-UHFFFAOYSA-N 0 0 261.325 3.506 10 0 CHAERN Clc1nnc(-c2ccccc2)n1Cc1cccs1 ZINC000103919704 185861691 /nfs/dbraw/zinc/86/16/91/185861691.db2.gz UJHYDOOMKMAKCS-UHFFFAOYSA-N 0 0 275.764 3.708 10 0 CHAERN Cc1cccc(-n2c(Cl)nnc2-c2ccccc2)c1 ZINC000103915824 185860039 /nfs/dbraw/zinc/86/00/39/185860039.db2.gz LNKKQUBSNDPEEQ-UHFFFAOYSA-N 0 0 269.735 3.896 10 0 CHAERN Cc1scnc1-c1ccc(Br)cc1 ZINC000086831163 179348795 /nfs/dbraw/zinc/34/87/95/179348795.db2.gz HHZKUXDRQSEVDO-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN CCOc1cccc(N[C@@H](C)Cc2ccccc2)n1 ZINC000104108145 185896675 /nfs/dbraw/zinc/89/66/75/185896675.db2.gz YYVRHUIXKJYFMU-ZDUSSCGKSA-N 0 0 256.349 3.523 10 0 CHAERN NC(=S)c1cc(Cl)ccc1NCC1CCCCC1 ZINC000104171513 185916529 /nfs/dbraw/zinc/91/65/29/185916529.db2.gz MOKGPLUZLXIJBT-UHFFFAOYSA-N 0 0 282.840 3.966 10 0 CHAERN NC(=S)c1c(Cl)cccc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104252876 185944294 /nfs/dbraw/zinc/94/42/94/185944294.db2.gz BPGVXROEWIIWDA-AXFHLTTASA-N 0 0 294.851 3.822 10 0 CHAERN CSc1ccccc1OCc1c(C)nn(C)c1Cl ZINC000104327917 185970739 /nfs/dbraw/zinc/97/07/39/185970739.db2.gz IDEHQFBJNRNNHV-UHFFFAOYSA-N 0 0 282.796 3.683 10 0 CHAERN CCc1cc2c(nc(-c3ccsc3)nc2N)s1 ZINC000104345954 185977086 /nfs/dbraw/zinc/97/70/86/185977086.db2.gz FQMPTWBXHUIBQG-UHFFFAOYSA-N 0 0 261.375 3.564 10 0 CHAERN Cc1ccnc([C@H](O)Cc2ccc(Cl)cc2Cl)c1 ZINC000104421164 185996164 /nfs/dbraw/zinc/99/61/64/185996164.db2.gz HOBWMLXHUCJXBX-CQSZACIVSA-N 0 0 282.170 3.973 10 0 CHAERN CCc1ccc2scc(CCCC(=O)NC)c2c1 ZINC000090505290 179995032 /nfs/dbraw/zinc/99/50/32/179995032.db2.gz LFNMYGMSWBAPKW-UHFFFAOYSA-N 0 0 261.390 3.532 10 0 CHAERN COc1ccc([C@H](O)C[C@@H](C)C(C)(C)C)cc1F ZINC000104434188 186000427 /nfs/dbraw/zinc/00/04/27/186000427.db2.gz YDAXDXMRTSGKEE-ZWNOBZJWSA-N 0 0 254.345 3.940 10 0 CHAERN Fc1cc2ccnc(Cl)c2cc1Br ZINC000090548890 180001760 /nfs/dbraw/zinc/00/17/60/180001760.db2.gz GUSIXATVRZYNHN-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN O=C(Oc1ccc(O)cc1)c1cccc2ccccc21 ZINC000090713635 180028657 /nfs/dbraw/zinc/02/86/57/180028657.db2.gz WBJJAYLMKUGBCP-UHFFFAOYSA-N 0 0 264.280 3.765 10 0 CHAERN O=C(c1ccc2ccccc2c1)c1cnc2ccccc2c1O ZINC000090623672 180015005 /nfs/dbraw/zinc/01/50/05/180015005.db2.gz MQJXYXBBQAYJAD-UHFFFAOYSA-N 0 0 299.329 3.912 10 0 CHAERN CC(C)(C)c1ccc([C@H]2OC(=O)c3ccccc32)o1 ZINC000090662759 180019698 /nfs/dbraw/zinc/01/96/98/180019698.db2.gz BQBGYKNOCXNSJS-AWEZNQCLSA-N 0 0 256.301 3.837 10 0 CHAERN CCOC(=O)c1cc2c(cccc2C(F)(F)F)o1 ZINC000091252167 180113982 /nfs/dbraw/zinc/11/39/82/180113982.db2.gz POOACSSGDJGIFG-UHFFFAOYSA-N 0 0 258.195 3.628 10 0 CHAERN CN(c1ccccc1)c1nc(Cl)cc(Cl)n1 ZINC000091365950 180143214 /nfs/dbraw/zinc/14/32/14/180143214.db2.gz JYQXJUUXAWIMLC-UHFFFAOYSA-N 0 0 254.120 3.551 10 0 CHAERN C[C@H](O)c1c(F)cccc1N1CCC[C@@H](C)CC1 ZINC000110806138 186326278 /nfs/dbraw/zinc/32/62/78/186326278.db2.gz ZIQINZUMCMDJQX-NEPJUHHUSA-N 0 0 251.345 3.505 10 0 CHAERN C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2N)CC1 ZINC000110921726 186332098 /nfs/dbraw/zinc/33/20/98/186332098.db2.gz IYNNXMGHTWPDMO-JTQLQIEISA-N 0 0 272.314 3.914 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CCCS2)n1 ZINC000299748120 200856259 /nfs/dbraw/zinc/85/62/59/200856259.db2.gz GCUHYKVVONWIBB-DCAQKATOSA-N 0 0 282.409 3.556 10 0 CHAERN CC(C)=CCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000174241126 261562681 /nfs/dbraw/zinc/56/26/81/261562681.db2.gz DBLOOTSLPXISPL-UHFFFAOYSA-N 0 0 263.385 3.518 10 0 CHAERN Cc1oc2c(c1C)c(=Nc1cc(C)cc(C)c1)ncn2C ZINC000255990339 190000219 /nfs/dbraw/zinc/00/02/19/190000219.db2.gz NNTOEXQTWTYJPF-UHFFFAOYSA-N 0 0 281.359 3.632 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 ZINC000000024262 169507761 /nfs/dbraw/zinc/50/77/61/169507761.db2.gz GQJIQKLWZMQQGO-UHFFFAOYSA-N 0 0 260.296 3.880 10 0 in-vivo CHAERN COCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000171207372 335059259 /nfs/dbraw/zinc/05/92/59/335059259.db2.gz RGDFTUHLZRRCBV-KBPBESRZSA-N 0 0 292.423 3.595 10 0 CHAERN FC(F)(F)N(Cc1cccc(Br)c1)C1CC1 ZINC000095076919 184935533 /nfs/dbraw/zinc/93/55/33/184935533.db2.gz QXHPZDBCYXSFJY-UHFFFAOYSA-N 0 0 294.114 3.933 10 0 CHAERN CO[C@H]1CCC[C@H](Nc2nc(C(F)(F)F)cs2)C1 ZINC000301794262 533242746 /nfs/dbraw/zinc/24/27/46/533242746.db2.gz SKDVOCSGWGSCSE-YUMQZZPRSA-N 0 0 280.315 3.531 10 0 CHAERN C[C@H](O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000035631426 134800588 /nfs/dbraw/zinc/80/05/88/134800588.db2.gz ADMKEKCEYCRFSD-ZDUSSCGKSA-N 0 0 253.345 3.824 10 0 CHAERN Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000036156131 134806796 /nfs/dbraw/zinc/80/67/96/134806796.db2.gz JQWCZSVBFHKNKP-UHFFFAOYSA-N 0 0 254.171 3.748 10 0 CHAERN CC[C@H]1CCCN(c2cc(Br)ccc2CO)C1 ZINC000036170055 134808195 /nfs/dbraw/zinc/80/81/95/134808195.db2.gz JWFYEIPSCQFLFA-NSHDSACASA-N 0 0 298.224 3.568 10 0 CHAERN OCc1c(Cl)cccc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000036810364 134823988 /nfs/dbraw/zinc/82/39/88/134823988.db2.gz HQFFCXXLGBNJEV-CHWSQXEVSA-N 0 0 279.811 3.849 10 0 CHAERN Cc1cc(C)cc(C(=O)N2CCSc3ccc(N)cc32)c1 ZINC000038051229 134853442 /nfs/dbraw/zinc/85/34/42/134853442.db2.gz UENQRNUSOAQVPX-UHFFFAOYSA-N 0 0 298.411 3.638 10 0 CHAERN C[C@@H](O)c1ccccc1N1CCc2sccc2[C@@H]1C ZINC000042772676 134896846 /nfs/dbraw/zinc/89/68/46/134896846.db2.gz QRRPQBITDTZWPU-NWDGAFQWSA-N 0 0 273.401 3.925 10 0 CHAERN C[C@@H]1CN=C(Nc2ccc(C(F)(F)F)cc2)S1 ZINC000003103168 169855991 /nfs/dbraw/zinc/85/59/91/169855991.db2.gz AXCTXZXZOHMSGL-SSDOTTSWSA-N 0 0 260.284 3.609 10 0 CHAERN O=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)O1 ZINC000003644055 169905441 /nfs/dbraw/zinc/90/54/41/169905441.db2.gz ZJXNRMOZDFCTMK-ZDUSSCGKSA-N 0 0 259.692 3.992 10 0 CHAERN COc1cc(C=O)cc(Oc2cccc(C)c2)c1OC ZINC000004227116 169946141 /nfs/dbraw/zinc/94/61/41/169946141.db2.gz SOTDSOHAJISQRB-UHFFFAOYSA-N 0 0 272.300 3.617 10 0 CHAERN CC(=O)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000005378896 170091418 /nfs/dbraw/zinc/09/14/18/170091418.db2.gz WPNHXYMULJPZID-UHFFFAOYSA-N 0 0 289.718 3.518 10 0 CHAERN CC(=O)Oc1ccccc1C(=O)Nc1ccccc1Cl ZINC000005379044 170091645 /nfs/dbraw/zinc/09/16/45/170091645.db2.gz LKBCZJSECWZGCA-UHFFFAOYSA-N 0 0 289.718 3.518 10 0 CHAERN CCCCCNC(=O)CCCOc1ccc(CC)cc1 ZINC000005525309 170108017 /nfs/dbraw/zinc/10/80/17/170108017.db2.gz VPDIZMSPRNEHSK-UHFFFAOYSA-N 0 0 277.408 3.714 10 0 CHAERN Cc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1 ZINC000005676646 170127103 /nfs/dbraw/zinc/12/71/03/170127103.db2.gz PKTCCKRAWAXUEW-RMKNXTFCSA-N 0 0 273.282 3.925 10 0 CHAERN CC(C)CCNC(=O)/C=C/c1cccc(Cl)c1 ZINC000005907399 170153398 /nfs/dbraw/zinc/15/33/98/170153398.db2.gz JBYFGIBMSZIXTJ-VOTSOKGWSA-N 0 0 251.757 3.516 10 0 CHAERN Fc1ccc(-c2c(-c3ccncc3)nc3n2CCS3)cc1 ZINC000005933447 170157488 /nfs/dbraw/zinc/15/74/88/170157488.db2.gz GLHFDXWSDZWRNN-UHFFFAOYSA-N 0 0 297.358 3.857 10 0 CHAERN Cc1nc(NC(=O)/C=C\c2ccc(C)cc2)sc1C ZINC000006131249 170178910 /nfs/dbraw/zinc/17/89/10/170178910.db2.gz UROZLDDIVPLLKW-HJWRWDBZSA-N 0 0 272.373 3.720 10 0 CHAERN CCCCNC(=O)c1ccccc1NC(=O)CC(C)(C)C ZINC000006203804 170182459 /nfs/dbraw/zinc/18/24/59/170182459.db2.gz QMKPXACLHGNMHB-UHFFFAOYSA-N 0 0 290.407 3.591 10 0 CHAERN Cc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000006302925 170189321 /nfs/dbraw/zinc/18/93/21/170189321.db2.gz SMYBEXJJOYAKTF-UHFFFAOYSA-N 0 0 296.370 3.842 10 0 CHAERN CCCCCNC(=O)c1ccc(NC(=O)CCCC)cc1 ZINC000006597292 170217879 /nfs/dbraw/zinc/21/78/79/170217879.db2.gz XBVKZYTVHKTILC-UHFFFAOYSA-N 0 0 290.407 3.735 10 0 CHAERN CCN(Cc1ccccc1)C(=O)c1ccc2[nH]c(C)nc2c1 ZINC000006620985 170219512 /nfs/dbraw/zinc/21/95/12/170219512.db2.gz HKQXNXSQYFWBPK-UHFFFAOYSA-N 0 0 293.370 3.534 10 0 CHAERN COc1cccc(C=O)c1OC/C=C\c1ccccc1 ZINC000006674391 170225235 /nfs/dbraw/zinc/22/52/35/170225235.db2.gz OXLZMGXXXHJDMZ-TWGQIWQCSA-N 0 0 268.312 3.600 10 0 CHAERN CCCn1c2ccccc2nc1-c1ccc(C(=O)NC)s1 ZINC000006869270 170251371 /nfs/dbraw/zinc/25/13/71/170251371.db2.gz ATXLVBUKOGKWFO-UHFFFAOYSA-N 0 0 299.399 3.534 10 0 CHAERN COc1ccccc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000006882981 170252916 /nfs/dbraw/zinc/25/29/16/170252916.db2.gz DKYGCAMQBYKIPB-UHFFFAOYSA-N 0 0 284.359 3.640 10 0 CHAERN CCCCCCOc1cccc(OCC(=O)NC(C)C)c1 ZINC000007261106 170273651 /nfs/dbraw/zinc/27/36/51/170273651.db2.gz CWODSKGKVWQISS-UHFFFAOYSA-N 0 0 293.407 3.549 10 0 CHAERN Oc1cccc2c(NC(=S)NCc3ccco3)cccc12 ZINC000007519888 170288016 /nfs/dbraw/zinc/28/80/16/170288016.db2.gz RHDNHOOSFAYBAC-UHFFFAOYSA-N 0 0 298.367 3.625 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000008276598 170328634 /nfs/dbraw/zinc/32/86/34/170328634.db2.gz SSCOBIJQPAFDBT-KZFBXYQYSA-N 0 0 257.377 3.703 10 0 CHAERN COc1ccc(C2=NN[C@H](c3ccccc3Cl)C2)cc1 ZINC000008474151 170337348 /nfs/dbraw/zinc/33/73/48/170337348.db2.gz PNXGHUDZWXITPI-INIZCTEOSA-N 0 0 286.762 3.787 10 0 CHAERN COc1ccc(C2=NN[C@@H](c3ccccc3Cl)C2)cc1 ZINC000008474186 170337427 /nfs/dbraw/zinc/33/74/27/170337427.db2.gz PNXGHUDZWXITPI-MRXNPFEDSA-N 0 0 286.762 3.787 10 0 CHAERN O=C(Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000008518007 170338925 /nfs/dbraw/zinc/33/89/25/170338925.db2.gz OCWSDZMUDTYDDX-UHFFFAOYSA-N 0 0 288.171 3.601 10 0 CHAERN Cc1sc2[nH]cnc(=NN)c2c1-c1ccc(Cl)cc1 ZINC000008536149 170339042 /nfs/dbraw/zinc/33/90/42/170339042.db2.gz FTSQMZYHNJAKFL-UHFFFAOYSA-N 0 0 290.779 3.606 10 0 CHAERN COc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=O)c1 ZINC000008550916 170339929 /nfs/dbraw/zinc/33/99/29/170339929.db2.gz XKOPQZBHVALQBB-UHFFFAOYSA-N 0 0 292.338 3.669 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(N)cc1 ZINC000008581515 170341646 /nfs/dbraw/zinc/34/16/46/170341646.db2.gz XUEHUKMVOSJLFC-KCXAZCMYSA-N 0 0 275.392 3.886 10 0 CHAERN CC(=O)Oc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 ZINC000008906650 170358539 /nfs/dbraw/zinc/35/85/39/170358539.db2.gz LKXQOZOTNVMTAP-ZHACJKMWSA-N 0 0 295.338 3.572 10 0 CHAERN O=C(CSc1ccccn1)c1cc2ccccc2o1 ZINC000009146283 170364546 /nfs/dbraw/zinc/36/45/46/170364546.db2.gz IRCCFJUDHGHMHW-UHFFFAOYSA-N 0 0 269.325 3.803 10 0 CHAERN COc1ccccc1CCn1c(C)cc(C(C)=O)c1C ZINC000009246060 170368262 /nfs/dbraw/zinc/36/82/62/170368262.db2.gz NCITUBFVJAJTSE-UHFFFAOYSA-N 0 0 271.360 3.559 10 0 CHAERN CCc1sc(N)nc1-c1ccc2c(c1)CCCC2 ZINC000009280119 170369806 /nfs/dbraw/zinc/36/98/06/170369806.db2.gz YAJZVWOWHJROHE-UHFFFAOYSA-N 0 0 258.390 3.834 10 0 CHAERN COC(=O)c1sc(Nc2ccc(Cl)cc2)nc1C ZINC000009280686 170370231 /nfs/dbraw/zinc/37/02/31/170370231.db2.gz YZYIQBZTGNDLSA-UHFFFAOYSA-N 0 0 282.752 3.635 10 0 CHAERN CC(C)Sc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000011541292 170420015 /nfs/dbraw/zinc/42/00/15/170420015.db2.gz HDHDCTHSACBYGF-MRVPVSSYSA-N 0 0 294.445 3.610 10 0 CHAERN O=Cc1ccc(Oc2cc(-c3ccccc3)ncn2)cc1 ZINC000011849460 170447028 /nfs/dbraw/zinc/44/70/28/170447028.db2.gz ANZFKYGHVLTRSQ-UHFFFAOYSA-N 0 0 276.295 3.748 10 0 CHAERN NC(=S)c1cc(Cl)ccc1OCc1ccccc1F ZINC000011863750 170450697 /nfs/dbraw/zinc/45/06/97/170450697.db2.gz RMAKONYIPDNMQE-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN CSCc1csc(NC(=O)c2ccc(C)cc2)n1 ZINC000012287036 170474707 /nfs/dbraw/zinc/47/47/07/170474707.db2.gz YWGUUSBAQZNDQJ-UHFFFAOYSA-N 0 0 278.402 3.567 10 0 CHAERN Cc1cc(NC(=O)Cc2cc(C)ccc2C)n(C(C)C)n1 ZINC000013657059 170574688 /nfs/dbraw/zinc/57/46/88/170574688.db2.gz GWABGOFEXHYPEA-UHFFFAOYSA-N 0 0 285.391 3.570 10 0 CHAERN CC(C)(C)COC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000013728540 170582896 /nfs/dbraw/zinc/58/28/96/170582896.db2.gz HYJUIJYNZHZBOK-UHFFFAOYSA-N 0 0 282.343 3.919 10 0 CHAERN O=C(c1cccc(Cl)c1)N1CCCC(c2ccccc2)=N1 ZINC000013744704 170587221 /nfs/dbraw/zinc/58/72/21/170587221.db2.gz FOYSFPHDGNNYMU-UHFFFAOYSA-N 0 0 298.773 3.980 10 0 CHAERN c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccccc21 ZINC000013863976 170605870 /nfs/dbraw/zinc/60/58/70/170605870.db2.gz HQRADGQWHFMORA-INIZCTEOSA-N 0 0 261.328 3.729 10 0 CHAERN COc1cccc2c(=O)cc(CCc3ccccc3)oc12 ZINC000014589740 170638424 /nfs/dbraw/zinc/63/84/24/170638424.db2.gz ZNQDWWWTGJNVBY-UHFFFAOYSA-N 0 0 280.323 3.587 10 0 CHAERN CC1CCC(NC(=O)c2nc(Cl)ccc2Cl)CC1 ZINC000015723758 170675772 /nfs/dbraw/zinc/67/57/72/170675772.db2.gz YUGSXFLQGWEAKG-UHFFFAOYSA-N 0 0 287.190 3.697 10 0 CHAERN C[C@@H](c1ccc(-c2ccccc2)cc1)n1nccc1N ZINC000019261051 170762195 /nfs/dbraw/zinc/76/21/95/170762195.db2.gz XXLGRWRCBMYTGC-ZDUSSCGKSA-N 0 0 263.344 3.742 10 0 CHAERN Cc1ccc2nc(NC(=O)c3cccc(N)c3C)sc2c1 ZINC000019266133 170764695 /nfs/dbraw/zinc/76/46/95/170764695.db2.gz YTXLWQMNKMSRMD-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN C[C@H]1CCCC[C@H]1OCCCC(=O)Nc1cccc(N)c1 ZINC000019279011 170770377 /nfs/dbraw/zinc/77/03/77/170770377.db2.gz YBUYFISJYBOIFK-XJKSGUPXSA-N 0 0 290.407 3.583 10 0 CHAERN Cc1c(N)cccc1NC(=O)c1cccc2ccccc21 ZINC000019386474 170779582 /nfs/dbraw/zinc/77/95/82/170779582.db2.gz BRPHEXVLFWGKIQ-UHFFFAOYSA-N 0 0 276.339 3.983 10 0 CHAERN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3)cc1 ZINC000019722856 170843954 /nfs/dbraw/zinc/84/39/54/170843954.db2.gz ZSBVRFQLWVYACM-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN Nc1cccc(Cl)c1Sc1nc2ccccc2[nH]1 ZINC000019845572 170893737 /nfs/dbraw/zinc/89/37/37/170893737.db2.gz NBJXTQDGLSDMBQ-UHFFFAOYSA-N 0 0 275.764 3.950 10 0 CHAERN C[C@@H](Nc1ccc(Br)cc1F)C1CC1 ZINC000019908002 170920054 /nfs/dbraw/zinc/92/00/54/170920054.db2.gz NVLOUAHAACJANG-SSDOTTSWSA-N 0 0 258.134 3.799 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1nc2ccccc2s1 ZINC000019911608 170922366 /nfs/dbraw/zinc/92/23/66/170922366.db2.gz MWXOJQWRSBHAFD-SNVBAGLBSA-N 0 0 297.383 3.568 10 0 CHAERN Cc1ccc(Oc2ncccc2N)c(Br)c1 ZINC000020077779 170985132 /nfs/dbraw/zinc/98/51/32/170985132.db2.gz KPKRTKTVBJCZBF-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN CNC(=O)c1cccc(N[C@H](C)c2ccc(C)cc2)c1 ZINC000020124617 171007083 /nfs/dbraw/zinc/00/70/83/171007083.db2.gz LQRULJVTUVGAQZ-CYBMUJFWSA-N 0 0 268.360 3.528 10 0 CHAERN CNC(=O)c1cccc(N[C@@H]2CCCc3ccccc32)c1 ZINC000020124738 171007287 /nfs/dbraw/zinc/00/72/87/171007287.db2.gz RDXLMUUDPVTURP-QGZVFWFLSA-N 0 0 280.371 3.536 10 0 CHAERN CCCCn1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000020157810 171039282 /nfs/dbraw/zinc/03/92/82/171039282.db2.gz CRCDFEIACGNBKY-JTQLQIEISA-N 0 0 290.432 3.691 10 0 CHAERN Nc1ccccc1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000020187525 171051968 /nfs/dbraw/zinc/05/19/68/171051968.db2.gz YPHPWSZSRKCXSP-UHFFFAOYSA-N 0 0 292.741 3.633 10 0 CHAERN C[C@@H](CCc1ccc(O)cc1)Nc1cccc(O)c1 ZINC000020193707 171059640 /nfs/dbraw/zinc/05/96/40/171059640.db2.gz DQVKLCVOHWACRX-LBPRGKRZSA-N 0 0 257.333 3.531 10 0 CHAERN CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1 ZINC000020210540 171073707 /nfs/dbraw/zinc/07/37/07/171073707.db2.gz CPSZRTMROCRDIB-UHFFFAOYSA-N 0 0 283.371 3.966 10 0 CHAERN CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(O)cc1 ZINC000020210615 171074098 /nfs/dbraw/zinc/07/40/98/171074098.db2.gz BWABXXHYFWQYOF-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN NC(=S)CCN(c1ccccc1)C1CCCCC1 ZINC000020210346 171074125 /nfs/dbraw/zinc/07/41/25/171074125.db2.gz BLRUDEVBSFKRHM-UHFFFAOYSA-N 0 0 262.422 3.502 10 0 CHAERN CC(C)c1ccc([C@@H]([NH3+])CCC(=O)[O-])c(C(C)C)c1 ZINC000020217223 171079445 /nfs/dbraw/zinc/07/94/45/171079445.db2.gz YKSSGSFNCNQNIB-HNNXBMFYSA-N 0 0 263.381 3.798 10 0 CHAERN Cc1nc(N)sc1SCc1ccc2ccccc2n1 ZINC000020247104 171100473 /nfs/dbraw/zinc/10/04/73/171100473.db2.gz SFUUHRQPNWBFDM-UHFFFAOYSA-N 0 0 287.413 3.874 10 0 CHAERN Cc1cc(C=O)cc(C)c1OCc1ccccc1F ZINC000020297920 171137988 /nfs/dbraw/zinc/13/79/88/171137988.db2.gz CNCLBSIPESQLGS-UHFFFAOYSA-N 0 0 258.292 3.834 10 0 CHAERN C[C@H](Nc1ccccc1Cl)C(=O)NC1CCCCC1 ZINC000020300819 171139037 /nfs/dbraw/zinc/13/90/37/171139037.db2.gz VZMUPRVOVQUMJA-NSHDSACASA-N 0 0 280.799 3.589 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1F)C(=O)NC1CCCCC1 ZINC000020301658 171139360 /nfs/dbraw/zinc/13/93/60/171139360.db2.gz AJHXONIGCGOUHI-JTQLQIEISA-N 0 0 298.789 3.728 10 0 CHAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)C ZINC000020313049 171145009 /nfs/dbraw/zinc/14/50/09/171145009.db2.gz HUWHLJCEGJEXAU-MRVPVSSYSA-N 0 0 289.206 3.709 10 0 CHAERN CCC(CC)C(=O)Nc1nc(-c2ccc(N)cc2)cs1 ZINC000020335886 171152524 /nfs/dbraw/zinc/15/25/24/171152524.db2.gz VBIPAQFETRGZLH-UHFFFAOYSA-N 0 0 289.404 3.767 10 0 CHAERN CCCCC(=O)Nc1nc(-c2ccc(N)cc2)cs1 ZINC000020335877 171152707 /nfs/dbraw/zinc/15/27/07/171152707.db2.gz JMAFBMYNQXLMAC-UHFFFAOYSA-N 0 0 275.377 3.521 10 0 CHAERN Cc1ccc(CCC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000020344860 171153838 /nfs/dbraw/zinc/15/38/38/171153838.db2.gz JNQPRNBKWTVRDH-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)c(F)c1 ZINC000020359927 171158702 /nfs/dbraw/zinc/15/87/02/171158702.db2.gz GNSMJRVGBVXOAC-LBPRGKRZSA-N 0 0 272.323 3.573 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366563 171165140 /nfs/dbraw/zinc/16/51/40/171165140.db2.gz JNSYFAZCEHOKDX-RKDXNWHRSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC000020366430 171165412 /nfs/dbraw/zinc/16/54/12/171165412.db2.gz JEZWYAPGXMHMPD-QWHCGFSZSA-N 0 0 270.376 3.555 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(SC)cc1 ZINC000020367558 171165858 /nfs/dbraw/zinc/16/58/58/171165858.db2.gz XBZVMJWNRFCELQ-NSHDSACASA-N 0 0 280.437 3.514 10 0 CHAERN C[C@H](Nc1ncccc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382055 171172747 /nfs/dbraw/zinc/17/27/47/171172747.db2.gz OESZQHVVCGFJSZ-GVMDUPDNSA-N 0 0 271.408 3.681 10 0 CHAERN CCCCSc1nnc(CC)n1-c1ccccc1 ZINC000020427565 171193510 /nfs/dbraw/zinc/19/35/10/171193510.db2.gz SKOOQRWAVNYSQD-UHFFFAOYSA-N 0 0 261.394 3.722 10 0 CHAERN OCc1ccccc1Oc1cccc(Br)c1 ZINC000020435392 171201487 /nfs/dbraw/zinc/20/14/87/171201487.db2.gz DQTBLJRHKWWQKV-UHFFFAOYSA-N 0 0 279.133 3.734 10 0 CHAERN OCc1ccc(Oc2cccc3cccnc32)cc1 ZINC000020435467 171201541 /nfs/dbraw/zinc/20/15/41/171201541.db2.gz BCAOAPQMNDUWDK-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN C[C@@H](c1ccccc1)n1[nH]cc2nc(-c3ccco3)nc1-2 ZINC000020454306 171207922 /nfs/dbraw/zinc/20/79/22/171207922.db2.gz BFAJAPSMEGMYEK-NSHDSACASA-N 0 0 278.315 3.629 10 0 CHAERN OCc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1 ZINC000020457984 171208867 /nfs/dbraw/zinc/20/88/67/171208867.db2.gz OVPHYDDZJAIJHD-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN Cc1cccc(N)c1C(=O)Nc1cccc(Cl)c1F ZINC000020472018 171214688 /nfs/dbraw/zinc/21/46/88/171214688.db2.gz LRRHAHREQJKBDE-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN CCC[C@@H](C)Nc1cccc(I)c1 ZINC000020478466 171221085 /nfs/dbraw/zinc/22/10/85/171221085.db2.gz NYMBTNSYEGAGMU-SECBINFHSA-N 0 0 289.160 3.892 10 0 CHAERN CC(C)[C@@H](C)Nc1cccc(I)c1 ZINC000020478864 171221774 /nfs/dbraw/zinc/22/17/74/171221774.db2.gz DRAXBHZVNPTPSL-SECBINFHSA-N 0 0 289.160 3.748 10 0 CHAERN CC(C)NC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505398 171228314 /nfs/dbraw/zinc/22/83/14/171228314.db2.gz KOEVAIAXAFAGJO-UHFFFAOYSA-N 0 0 295.597 3.583 10 0 CHAERN CCOC(=O)c1c(N)scc1-c1cc2ccccc2o1 ZINC000020546463 171244009 /nfs/dbraw/zinc/24/40/09/171244009.db2.gz PHBMWYKOUALAKW-UHFFFAOYSA-N 0 0 287.340 3.920 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCc1cc(C(N)=S)ccc1F ZINC000020551927 171247563 /nfs/dbraw/zinc/24/75/63/171247563.db2.gz UJZQKRDWWZYPDX-XHDPSFHLSA-N 0 0 295.423 3.945 10 0 CHAERN S=C1N=NC(Nc2cc(Cl)ccc2Cl)S1 ZINC000020581483 171257016 /nfs/dbraw/zinc/25/70/16/171257016.db2.gz UCVMALYOASCVHD-UHFFFAOYSA-N 0 0 278.189 3.877 10 0 CHAERN CCC(CC)N1C(=S)N=NC1c1cccs1 ZINC000020591232 171261196 /nfs/dbraw/zinc/26/11/96/171261196.db2.gz BBZJZJLLHJQVLQ-UHFFFAOYSA-N 0 0 253.396 3.656 10 0 CHAERN Cc1ccc(N2C(=S)N=NC2C(C)C)c(Cl)c1 ZINC000020590938 171261387 /nfs/dbraw/zinc/26/13/87/171261387.db2.gz SKZPHCKQIZTPBR-UHFFFAOYSA-N 0 0 267.785 3.641 10 0 CHAERN CC(=O)[C@H]1C[C@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594381 171263294 /nfs/dbraw/zinc/26/32/94/171263294.db2.gz JACHGLCJSCGZJP-MNOVXSKESA-N 0 0 260.280 3.991 10 0 CHAERN Clc1nc2ccccc2cc1CNCc1ccccn1 ZINC000020967242 171282467 /nfs/dbraw/zinc/28/24/67/171282467.db2.gz KUKBZVWFPDXYLT-UHFFFAOYSA-N 0 0 283.762 3.573 10 0 CHAERN CC(=O)Oc1ccc(C)cc1NC(=O)/C=C/c1ccccc1 ZINC000020983646 171282669 /nfs/dbraw/zinc/28/26/69/171282669.db2.gz GPNNPYNHQNEMPD-PKNBQFBNSA-N 0 0 295.338 3.572 10 0 CHAERN CCC(=O)Oc1cccc(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000021025930 171291096 /nfs/dbraw/zinc/29/10/96/171291096.db2.gz WCWGPNCGWBDZMS-UHFFFAOYSA-N 0 0 297.354 3.871 10 0 CHAERN Clc1c(-c2cccs2)nc2ccc(Cl)nn12 ZINC000021299416 171300711 /nfs/dbraw/zinc/30/07/11/171300711.db2.gz NBLLAWZKPXOFGU-UHFFFAOYSA-N 0 0 270.144 3.765 10 0 CHAERN Nc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1Cl ZINC000021954142 171340977 /nfs/dbraw/zinc/34/09/77/171340977.db2.gz HUVNBVKONIRWQC-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(N)cc2Cl)c(C)c1 ZINC000021954433 171341113 /nfs/dbraw/zinc/34/11/13/171341113.db2.gz BPDJVSWEWHCDBG-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000021956765 171341714 /nfs/dbraw/zinc/34/17/14/171341714.db2.gz FHDNCOOEQRMUDY-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Cc1ccc(N)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000021968715 171344136 /nfs/dbraw/zinc/34/41/36/171344136.db2.gz PMGXLSKFSDYTJY-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN COc1ccc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 ZINC000022148057 171357629 /nfs/dbraw/zinc/35/76/29/171357629.db2.gz VQUSJLUIRXBVFM-YUELXQCFSA-N 0 0 262.397 3.963 10 0 CHAERN COc1ccc2sc(C(=O)NC(C)C)c(Cl)c2c1 ZINC000022332033 171385498 /nfs/dbraw/zinc/38/54/98/171385498.db2.gz PTCXURPDSCVLSL-UHFFFAOYSA-N 0 0 283.780 3.702 10 0 CHAERN C[C@@H](NC(=O)C1CCCC1)c1ccccc1Br ZINC000023526067 171423391 /nfs/dbraw/zinc/42/33/91/171423391.db2.gz ZFTRPONBHIKSBV-SNVBAGLBSA-N 0 0 296.208 3.817 10 0 CHAERN CC(=O)N[C@H](C)c1ccc2c(c1)[nH]c1ccccc12 ZINC000026189478 171475679 /nfs/dbraw/zinc/47/56/79/171475679.db2.gz MEGXZQRJNJRLFH-SNVBAGLBSA-N 0 0 252.317 3.518 10 0 CHAERN Nc1n[nH]c(-c2ccccc2Cl)c1-c1ccccc1 ZINC000026511460 171490437 /nfs/dbraw/zinc/49/04/37/171490437.db2.gz OSSGLAXIDFZCQC-UHFFFAOYSA-N 0 0 269.735 3.979 10 0 CHAERN CC[C@@H](C)NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000026976037 171504631 /nfs/dbraw/zinc/50/46/31/171504631.db2.gz FUAZODAKALEZIH-FCZSHJHJSA-N 0 0 272.175 3.921 10 0 CHAERN O=C1CCCCN1C1(c2ccccc2)CCCCC1 ZINC000027556746 171520946 /nfs/dbraw/zinc/52/09/46/171520946.db2.gz MUHPWQQJHWBLHY-UHFFFAOYSA-N 0 0 257.377 3.859 10 0 CHAERN CC(C)c1ccc([C@H](C)Nc2cn[nH]c(=O)c2Cl)cc1 ZINC000029531429 171602044 /nfs/dbraw/zinc/60/20/44/171602044.db2.gz PZKSTMSOBMAEKY-JTQLQIEISA-N 0 0 291.782 3.720 10 0 CHAERN Cc1nnc(NCCc2ccccc2F)c2ccccc12 ZINC000032509577 171730319 /nfs/dbraw/zinc/73/03/19/171730319.db2.gz QTOMCOWZNOWMMD-UHFFFAOYSA-N 0 0 281.334 3.732 10 0 CHAERN Cc1sc2nc(C(F)(F)F)nc(Cl)c2c1C ZINC000032625270 171740473 /nfs/dbraw/zinc/74/04/73/171740473.db2.gz BXMHFOQXVLEVMV-UHFFFAOYSA-N 0 0 266.675 3.980 10 0 CHAERN O=C(N/C=C\c1ccco1)OCc1cccc(Cl)c1 ZINC000033336252 171785013 /nfs/dbraw/zinc/78/50/13/171785013.db2.gz AQKNTZJQLSBCAR-SREVYHEPSA-N 0 0 277.707 3.830 10 0 CHAERN CCCCCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21 ZINC000033494356 171806830 /nfs/dbraw/zinc/80/68/30/171806830.db2.gz GJHYNMYDBOIQHH-UHFFFAOYSA-N 0 0 286.158 3.713 10 0 CHAERN Cn1c2ccc(Cl)cc2n(-c2ccc(Cl)cc2)c1=O ZINC000033877143 171824073 /nfs/dbraw/zinc/82/40/73/171824073.db2.gz TUBSJVSBJVGBMD-UHFFFAOYSA-N 0 0 293.153 3.636 10 0 CHAERN COc1ccc2c(c1)CC=C1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000034628478 171846100 /nfs/dbraw/zinc/84/61/00/171846100.db2.gz QSNKKEPMKDBTSW-BVBHFADKSA-N 0 0 284.399 3.832 10 0 CHAERN CC(=O)c1c(F)cccc1SCc1ccco1 ZINC000034937856 171897311 /nfs/dbraw/zinc/89/73/11/171897311.db2.gz AYTLWFYKARLGKH-UHFFFAOYSA-N 0 0 250.294 3.914 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCc1cc(F)ccc1N ZINC000035057964 171960844 /nfs/dbraw/zinc/96/08/44/171960844.db2.gz XVARUEBMJNLLGI-ABAIWWIYSA-N 0 0 251.345 3.893 10 0 CHAERN Cc1ccc(C)c(-n2c(=O)c3ccsc3[nH]c2=S)c1 ZINC000035122477 171992664 /nfs/dbraw/zinc/99/26/64/171992664.db2.gz ONYCNHBUVYEDJA-UHFFFAOYSA-N 0 0 288.397 3.727 10 0 CHAERN COc1ccc(C)cc1NC(=O)c1c[nH]c2ccccc21 ZINC000035134634 172001546 /nfs/dbraw/zinc/00/15/46/172001546.db2.gz YTNUOIXYGPSHFM-UHFFFAOYSA-N 0 0 280.327 3.737 10 0 CHAERN CC(C)CC[C@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134743 172001627 /nfs/dbraw/zinc/00/16/27/172001627.db2.gz IOFKERSHAUOVSQ-LBPRGKRZSA-N 0 0 258.365 3.722 10 0 CHAERN CN(Cc1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 ZINC000035134683 172001633 /nfs/dbraw/zinc/00/16/33/172001633.db2.gz MGSZULSSXQMODB-UHFFFAOYSA-N 0 0 282.318 3.579 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000035135096 172002038 /nfs/dbraw/zinc/00/20/38/172002038.db2.gz JGRMYAWYQKVHFZ-MRVPVSSYSA-N 0 0 256.227 3.867 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000035135095 172002336 /nfs/dbraw/zinc/00/23/36/172002336.db2.gz JGRMYAWYQKVHFZ-QMMMGPOBSA-N 0 0 256.227 3.867 10 0 CHAERN FC(F)(F)c1ccc(NC[C@@H]2CCCCO2)cc1 ZINC000035150774 172013339 /nfs/dbraw/zinc/01/33/39/172013339.db2.gz JYOHAMGBWCPTFE-LBPRGKRZSA-N 0 0 259.271 3.686 10 0 CHAERN Clc1ccc(Cl)c(NC[C@@H]2CCCCO2)c1 ZINC000035150718 172013594 /nfs/dbraw/zinc/01/35/94/172013594.db2.gz MQCVOPAQAZKILH-JTQLQIEISA-N 0 0 260.164 3.974 10 0 CHAERN COc1cc(Cl)c(C)cc1NC[C@H]1CCCCO1 ZINC000035150839 172013732 /nfs/dbraw/zinc/01/37/32/172013732.db2.gz ITJVGDJZMJTDOQ-LLVKDONJSA-N 0 0 269.772 3.638 10 0 CHAERN O=C(c1ccnc(Cl)c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035174283 172027636 /nfs/dbraw/zinc/02/76/36/172027636.db2.gz BTEWYMGRTXZTMV-YPMHNXCESA-N 0 0 278.783 3.530 10 0 CHAERN Cc1ccc(OCC(=O)c2ccccc2F)c(C)c1 ZINC000035181842 172035342 /nfs/dbraw/zinc/03/53/42/172035342.db2.gz LLPBTRBFHQBSGD-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1cc(C)cc(O[C@H](C)C(=O)c2ccccc2)c1 ZINC000035182367 172036025 /nfs/dbraw/zinc/03/60/25/172036025.db2.gz FFYBSQZCPFMUIG-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN CCc1ccccc1O[C@@H](C)C(=O)c1ccccc1 ZINC000035182427 172036308 /nfs/dbraw/zinc/03/63/08/172036308.db2.gz CPDICDCBLAQLKN-ZDUSSCGKSA-N 0 0 254.329 3.899 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000035183779 172037193 /nfs/dbraw/zinc/03/71/93/172037193.db2.gz CYYOSECPGJGAPM-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000035183847 172037223 /nfs/dbraw/zinc/03/72/23/172037223.db2.gz SUHGGQVVVUFWMX-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035183721 172037327 /nfs/dbraw/zinc/03/73/27/172037327.db2.gz KZKWTWNXLKCDPC-NSHDSACASA-N 0 0 276.282 3.923 10 0 CHAERN COc1ccc(F)cc1C(=O)CSc1ccccc1 ZINC000035183978 172037405 /nfs/dbraw/zinc/03/74/05/172037405.db2.gz RQHZRDKIJFHGFQ-UHFFFAOYSA-N 0 0 276.332 3.809 10 0 CHAERN O=C(COc1ccc(F)cc1)c1ccc2c(c1)CCC2 ZINC000035183826 172037545 /nfs/dbraw/zinc/03/75/45/172037545.db2.gz RVNYYBLNIUHUFT-UHFFFAOYSA-N 0 0 270.303 3.576 10 0 CHAERN Cc1cc(C)c(C(=O)COc2ccccc2)c(C)c1 ZINC000035183885 172037633 /nfs/dbraw/zinc/03/76/33/172037633.db2.gz DJLVNWVPOXKURC-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)c(O)c1 ZINC000035185107 172038725 /nfs/dbraw/zinc/03/87/25/172038725.db2.gz YIFGLUQSWFMZRJ-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000035185715 172040170 /nfs/dbraw/zinc/04/01/70/172040170.db2.gz GPZMQFMHCOXDHW-YOEHRIQHSA-N 0 0 291.435 3.733 10 0 CHAERN COc1cc(OC)cc(Oc2ccc(F)cc2C(C)=O)c1 ZINC000035217006 172058086 /nfs/dbraw/zinc/05/80/86/172058086.db2.gz GOUCAKQSSDQZNO-UHFFFAOYSA-N 0 0 290.290 3.838 10 0 CHAERN CNc1ccc(-c2nc3cc(O)ccc3s2)cc1 ZINC000035273881 172094644 /nfs/dbraw/zinc/09/46/44/172094644.db2.gz FOHCYFXGWJQKQP-UHFFFAOYSA-N 0 0 256.330 3.711 10 0 CHAERN Cc1cccc(Oc2ncccc2C(F)(F)F)c1N ZINC000035283739 172102371 /nfs/dbraw/zinc/10/23/71/172102371.db2.gz JNLBETJZIGPIAI-UHFFFAOYSA-N 0 0 268.238 3.783 10 0 CHAERN Oc1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000035285130 172103844 /nfs/dbraw/zinc/10/38/44/172103844.db2.gz AIUDOGXQACGCKQ-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN Nc1cccc(F)c1-c1nc(C2CCCCC2)no1 ZINC000035306967 172120722 /nfs/dbraw/zinc/12/07/22/172120722.db2.gz OBLKINGVNZPHAA-UHFFFAOYSA-N 0 0 261.300 3.506 10 0 CHAERN CC(C)(C)c1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324254 172126596 /nfs/dbraw/zinc/12/65/96/172126596.db2.gz CQTXVDCPBJFSQF-CQSZACIVSA-N 0 0 263.381 3.629 10 0 CHAERN CC[C@H](C)c1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324264 172126716 /nfs/dbraw/zinc/12/67/16/172126716.db2.gz ZJFICJPWXHWOQH-SWLSCSKDSA-N 0 0 263.381 3.845 10 0 CHAERN Nc1ccc(Oc2cccc(F)c2)c2ncccc12 ZINC000035342215 172134483 /nfs/dbraw/zinc/13/44/83/172134483.db2.gz OJYDMAMHDKZINU-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN Nc1c2ncsc2ccc1NCc1cccs1 ZINC000035344605 172136715 /nfs/dbraw/zinc/13/67/15/172136715.db2.gz OZWJOBIOEZMOQG-UHFFFAOYSA-N 0 0 261.375 3.552 10 0 CHAERN O=C(c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000035368561 172160257 /nfs/dbraw/zinc/16/02/57/172160257.db2.gz HIUQBZRCMUFOGN-UHFFFAOYSA-N 0 0 260.333 3.997 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)cc2)o1 ZINC000035368803 172160552 /nfs/dbraw/zinc/16/05/52/172160552.db2.gz WBIMALBZPBKTDF-UHFFFAOYSA-N 0 0 265.106 3.582 10 0 CHAERN O=C(c1ccc(Br)o1)c1ccc(Cl)cc1 ZINC000035368800 172160572 /nfs/dbraw/zinc/16/05/72/172160572.db2.gz JYWDHCFYJKVWSD-UHFFFAOYSA-N 0 0 285.524 3.927 10 0 CHAERN Cc1ccc(C(=O)c2cn(C)c3ccccc23)s1 ZINC000035369457 172160854 /nfs/dbraw/zinc/16/08/54/172160854.db2.gz UMTALBYTMZNCSU-UHFFFAOYSA-N 0 0 255.342 3.779 10 0 CHAERN Cc1cc(C(=O)c2c[nH]c3cc(F)ccc23)c(C)o1 ZINC000035369751 172161568 /nfs/dbraw/zinc/16/15/68/172161568.db2.gz IHRZPYGNYFWZRN-UHFFFAOYSA-N 0 0 257.264 3.748 10 0 CHAERN Cc1ccc([C@@H](N)c2ccc(Cl)c(Cl)c2)o1 ZINC000035382364 172165386 /nfs/dbraw/zinc/16/53/86/172165386.db2.gz LKPOHMDNSWROPF-LBPRGKRZSA-N 0 0 256.132 3.943 10 0 CHAERN CN[C@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035463974 172211880 /nfs/dbraw/zinc/21/18/80/172211880.db2.gz YBGYSMKCQJTJEA-CQSZACIVSA-N 0 0 267.706 3.927 10 0 CHAERN CCc1ccc([C@@H](NC)C(F)(F)C(F)(F)F)cc1 ZINC000035494904 172228108 /nfs/dbraw/zinc/22/81/08/172228108.db2.gz RGEMIIXKQCYOPR-SNVBAGLBSA-N 0 0 267.241 3.707 10 0 CHAERN CN[C@@H](c1cc(Cl)sc1Cl)C(F)(F)F ZINC000035502082 172236588 /nfs/dbraw/zinc/23/65/88/172236588.db2.gz HZFWNIHPDPAZSO-YFKPBYRVSA-N 0 0 264.099 3.878 10 0 CHAERN CCCN[C@H](c1cc(C)sc1C)C(F)(F)F ZINC000035583262 172281638 /nfs/dbraw/zinc/28/16/38/172281638.db2.gz NRKDUGHQEKVTCV-SNVBAGLBSA-N 0 0 251.317 3.968 10 0 CHAERN CCc1ccc(COc2ccc([C@@H](C)O)cc2)s1 ZINC000035626295 172305682 /nfs/dbraw/zinc/30/56/82/172305682.db2.gz PLMJSKBJGQALMO-LLVKDONJSA-N 0 0 262.374 3.943 10 0 CHAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccncc1 ZINC000035630481 172311293 /nfs/dbraw/zinc/31/12/93/172311293.db2.gz UGIQOSNTPBQGJS-UHFFFAOYSA-N 0 0 251.285 3.676 10 0 CHAERN Cc1ccc(COc2ccc(C)cc2[C@@H](C)O)cc1 ZINC000035630422 172311767 /nfs/dbraw/zinc/31/17/67/172311767.db2.gz INXPVFCJHZKWSP-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN C[C@@H](O)c1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000035631515 172313450 /nfs/dbraw/zinc/31/34/50/172313450.db2.gz NKVRHUAIKFRXQV-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN COc1ccc(Oc2ccc([C@H](C)O)cc2F)cc1 ZINC000035632368 172314827 /nfs/dbraw/zinc/31/48/27/172314827.db2.gz NMYRZCGGHQHGDE-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN COc1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632341 172314985 /nfs/dbraw/zinc/31/49/85/172314985.db2.gz DHGDOEFCVYFMLW-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN CCOc1ccc(OCc2cccc(N)c2C)cc1 ZINC000035649340 172325513 /nfs/dbraw/zinc/32/55/13/172325513.db2.gz NKOSJXZOWXMQPV-UHFFFAOYSA-N 0 0 257.333 3.555 10 0 CHAERN Cc1c(N)cccc1COCc1ccccc1Cl ZINC000035649404 172325913 /nfs/dbraw/zinc/32/59/13/172325913.db2.gz WGRKOBFZVKCNOT-UHFFFAOYSA-N 0 0 261.752 3.947 10 0 CHAERN C[C@@H](O)c1ccccc1Oc1ccc(F)cc1F ZINC000035650624 172326500 /nfs/dbraw/zinc/32/65/00/172326500.db2.gz VBNLZRJYDSVTOY-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN Cc1cc(Oc2ccc(N)c3nonc32)ccc1Cl ZINC000035675944 172346041 /nfs/dbraw/zinc/34/60/41/172346041.db2.gz MRQRBQTZKKURHJ-UHFFFAOYSA-N 0 0 275.695 3.559 10 0 CHAERN Cc1ccc(N)cc1Oc1nc2ccccc2s1 ZINC000035678325 172349364 /nfs/dbraw/zinc/34/93/64/172349364.db2.gz YRVIGKUPVVISSF-UHFFFAOYSA-N 0 0 256.330 3.979 10 0 CHAERN CN(Cc1cccs1)c1cccc(Cl)c1C=O ZINC000035717826 172372008 /nfs/dbraw/zinc/37/20/08/172372008.db2.gz RXAIBCVPXSHSJC-UHFFFAOYSA-N 0 0 265.765 3.850 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719495 172373995 /nfs/dbraw/zinc/37/39/95/172373995.db2.gz FZNKXUNIGIICGA-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN FC(F)(F)COc1ccc2nccc(Cl)c2c1 ZINC000035731066 172381467 /nfs/dbraw/zinc/38/14/67/172381467.db2.gz CYWMQIILPXZQIT-UHFFFAOYSA-N 0 0 261.630 3.829 10 0 CHAERN C[C@H](Nc1nc2cccc(Cl)c2s1)[C@H]1CCCO1 ZINC000035736357 172389288 /nfs/dbraw/zinc/38/92/88/172389288.db2.gz SNEFPPSMNZZITJ-GZMMTYOYSA-N 0 0 282.796 3.929 10 0 CHAERN COC(=O)[C@H](C)CNc1c(Cl)cc(Cl)cc1Cl ZINC000035758532 172398873 /nfs/dbraw/zinc/39/88/73/172398873.db2.gz QCMQCQIQUMKTPO-ZCFIWIBFSA-N 0 0 296.581 3.868 10 0 CHAERN Cc1cc(Br)c2c(F)cc(F)cc2n1 ZINC000036075622 172431456 /nfs/dbraw/zinc/43/14/56/172431456.db2.gz LBZDCFKEGSZZPF-UHFFFAOYSA-N 0 0 258.065 3.584 10 0 CHAERN COc1cc(OC)cc(Oc2ccccc2[C@H](C)O)c1 ZINC000036205357 172516670 /nfs/dbraw/zinc/51/66/70/172516670.db2.gz JUHCLVXOXUCXSD-NSHDSACASA-N 0 0 274.316 3.549 10 0 CHAERN Cc1sc2ncnc(Nc3cccc(N)c3)c2c1C ZINC000036259087 172551065 /nfs/dbraw/zinc/55/10/65/172551065.db2.gz QGSKNPJKORARPL-UHFFFAOYSA-N 0 0 270.361 3.634 10 0 CHAERN CCOc1ccccc1[C@@H](C)Nc1c(C)n[nH]c1C ZINC000036735962 172666251 /nfs/dbraw/zinc/66/62/51/172666251.db2.gz CFKQGDASZGPQOC-SNVBAGLBSA-N 0 0 259.353 3.598 10 0 CHAERN CC[C@@H](C)c1[nH]nc(N)c1-c1cccc(Br)c1 ZINC000036766086 172684542 /nfs/dbraw/zinc/68/45/42/172684542.db2.gz JZVIHLDMBZQHKA-MRVPVSSYSA-N 0 0 294.196 3.935 10 0 CHAERN C[C@H](C1CC1)N(C)c1ccc(C(F)(F)F)cc1N ZINC000036783274 172702226 /nfs/dbraw/zinc/70/22/26/172702226.db2.gz ZIDWEELASJOSKJ-MRVPVSSYSA-N 0 0 258.287 3.522 10 0 CHAERN COC(=O)c1ccc(Cl)cc1NC[C@@H]1CC=CCC1 ZINC000036952332 172825330 /nfs/dbraw/zinc/82/53/30/172825330.db2.gz DIUNURDNGUZWBA-LLVKDONJSA-N 0 0 279.767 3.895 10 0 CHAERN Cc1ccc(N[C@H]2CCCc3c2cnn3C)cc1C ZINC000037051596 172918653 /nfs/dbraw/zinc/91/86/53/172918653.db2.gz ATVJBPTZJMKHSK-HNNXBMFYSA-N 0 0 255.365 3.526 10 0 CHAERN Nc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1 ZINC000037222392 173041303 /nfs/dbraw/zinc/04/13/03/173041303.db2.gz AWTQRRARYGHVGP-UHFFFAOYSA-N 0 0 256.736 3.925 10 0 CHAERN COc1cc(C)ccc1[C@@H](C)Nc1c(C)n[nH]c1C ZINC000037261697 173071221 /nfs/dbraw/zinc/07/12/21/173071221.db2.gz ONCBGCGUXWTASI-SNVBAGLBSA-N 0 0 259.353 3.517 10 0 CHAERN CO[C@@H]1CCCC[C@H]1Nc1ccc2nc(C)sc2c1 ZINC000037278480 173088246 /nfs/dbraw/zinc/08/82/46/173088246.db2.gz RWUFYJHFYBTCKB-TZMCWYRMSA-N 0 0 276.405 3.974 10 0 CHAERN Nc1ccc(CSc2ccccn2)c2ncccc12 ZINC000037285657 173091666 /nfs/dbraw/zinc/09/16/66/173091666.db2.gz POCRPBMNTGYWNY-UHFFFAOYSA-N 0 0 267.357 3.504 10 0 CHAERN CC[C@@H](Nc1ccccc1Cn1cccn1)C(C)C ZINC000037292465 173096781 /nfs/dbraw/zinc/09/67/81/173096781.db2.gz SFYXNLHRSFFROV-OAHLLOKOSA-N 0 0 257.381 3.778 10 0 CHAERN COC(=O)C(C)(C)N[C@H](c1cccs1)C1CCCC1 ZINC000037304550 173109791 /nfs/dbraw/zinc/10/97/91/173109791.db2.gz GKMZEGHVLWVJCA-ZDUSSCGKSA-N 0 0 281.421 3.521 10 0 CHAERN COC(=O)C(C)(C)N[C@@H](c1cccs1)C1CCCC1 ZINC000037304549 173109824 /nfs/dbraw/zinc/10/98/24/173109824.db2.gz GKMZEGHVLWVJCA-CYBMUJFWSA-N 0 0 281.421 3.521 10 0 CHAERN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3)c1 ZINC000037323175 173123331 /nfs/dbraw/zinc/12/33/31/173123331.db2.gz ICMDIKSWCSEAKD-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN Cc1ccc(-c2nn(CC(C)C)cc2C=O)cc1C ZINC000037327394 173128003 /nfs/dbraw/zinc/12/80/03/173128003.db2.gz UXDNWXHNSYCVKL-UHFFFAOYSA-N 0 0 256.349 3.635 10 0 CHAERN Cc1cccc(C(=O)COc2c(C)cccc2C)c1 ZINC000037347056 173144072 /nfs/dbraw/zinc/14/40/72/173144072.db2.gz HMWILOUNIMIMDU-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CCC[C@H](C)c1noc(N)c1-c1ccc(OC)cc1 ZINC000037350505 173144806 /nfs/dbraw/zinc/14/48/06/173144806.db2.gz ZFABAVFHZUCAPR-JTQLQIEISA-N 0 0 260.337 3.836 10 0 CHAERN CCc1ccc(C(=O)Cc2cccc(OC)c2)cc1 ZINC000037358158 173147662 /nfs/dbraw/zinc/14/76/62/173147662.db2.gz QSYXSHGJHZZCRI-UHFFFAOYSA-N 0 0 254.329 3.683 10 0 CHAERN CCOc1ccc(C(=O)CCc2ccccc2)cc1 ZINC000037358237 173147751 /nfs/dbraw/zinc/14/77/51/173147751.db2.gz BBHRPFULOIPDRF-UHFFFAOYSA-N 0 0 254.329 3.901 10 0 CHAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)CCO2 ZINC000037358707 173148099 /nfs/dbraw/zinc/14/80/99/173148099.db2.gz OAHPYRFPQNMITH-YWPYICTPSA-N 0 0 256.345 3.631 10 0 CHAERN C[C@](O)(Cc1cccc(Cl)c1)c1cccc(F)c1 ZINC000037530645 173252764 /nfs/dbraw/zinc/25/27/64/173252764.db2.gz AXKXXWGTCMKOSP-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN CCC[C@@](O)(c1ccccc1)c1ccc(OC)cc1 ZINC000037529352 173252824 /nfs/dbraw/zinc/25/28/24/173252824.db2.gz NGFKAHYAFCBKFR-QGZVFWFLSA-N 0 0 256.345 3.731 10 0 CHAERN CCC[C@](O)(c1ccccc1)c1ccccc1OC ZINC000037529343 173252857 /nfs/dbraw/zinc/25/28/57/173252857.db2.gz LPCUASKQNFCRRL-KRWDZBQOSA-N 0 0 256.345 3.731 10 0 CHAERN COc1ccccc1[C@@](C)(O)c1cccc(Cl)c1 ZINC000037529224 173253089 /nfs/dbraw/zinc/25/30/89/173253089.db2.gz WCDDOYAGXQIVQI-HNNXBMFYSA-N 0 0 262.736 3.604 10 0 CHAERN O[C@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000037532255 173254063 /nfs/dbraw/zinc/25/40/63/173254063.db2.gz DXCCNPCKDFEQTR-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN CCCCCN(C(=O)c1ccc(Cl)c(N)c1)C(C)C ZINC000037810080 173754194 /nfs/dbraw/zinc/75/41/94/173754194.db2.gz RLDORPIJCACKKB-UHFFFAOYSA-N 0 0 282.815 3.963 10 0 CHAERN CCOC(=O)C1(Nc2ccccc2Cl)CCCC1 ZINC000037955267 173896386 /nfs/dbraw/zinc/89/63/86/173896386.db2.gz FZMGWFKPCGUPHS-UHFFFAOYSA-N 0 0 267.756 3.628 10 0 CHAERN CCOC(=O)[C@@](C)(CC(C)C)Nc1ccccc1F ZINC000037963125 173906292 /nfs/dbraw/zinc/90/62/92/173906292.db2.gz GKHYSPZWJKGVHV-OAHLLOKOSA-N 0 0 267.344 3.606 10 0 CHAERN CC[C@H](Cc1ccc(F)c(Br)c1)C(C)=O ZINC000038004175 173966030 /nfs/dbraw/zinc/96/60/30/173966030.db2.gz GLDWGOMCUJXPQM-SNVBAGLBSA-N 0 0 273.145 3.746 10 0 CHAERN Nc1ccc(Cl)c(Nc2ccc(Cl)cn2)c1 ZINC000038033899 174032514 /nfs/dbraw/zinc/03/25/14/174032514.db2.gz YMRFCCYUPYHVQF-UHFFFAOYSA-N 0 0 254.120 3.714 10 0 CHAERN CCCOc1cccc(CNc2cccc3c[nH]nc32)c1 ZINC000038038322 174038396 /nfs/dbraw/zinc/03/83/96/174038396.db2.gz QHIOMWGDLODICW-UHFFFAOYSA-N 0 0 281.359 3.964 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2c(F)cc(N)cc2F)[C@@H]1C ZINC000038039906 174039560 /nfs/dbraw/zinc/03/95/60/174039560.db2.gz FREIXUCXDDBEFE-KKFJDGPESA-N 0 0 254.324 3.784 10 0 CHAERN Nc1cc(F)c(Nc2cc(F)ccc2F)c(F)c1 ZINC000038039972 174039695 /nfs/dbraw/zinc/03/96/95/174039695.db2.gz ZUQPRYXOWAQDOC-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN COc1ccc(Cl)cc1CNc1ccc2nccnc2c1 ZINC000038051621 174062689 /nfs/dbraw/zinc/06/26/89/174062689.db2.gz XOYYZEAYFKOTDM-UHFFFAOYSA-N 0 0 299.761 3.904 10 0 CHAERN Fc1ccccc1COc1cccc2c1NCCC2 ZINC000038056260 174067633 /nfs/dbraw/zinc/06/76/33/174067633.db2.gz VXNOZOJLTSVZSB-UHFFFAOYSA-N 0 0 257.308 3.763 10 0 CHAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000038066005 174077758 /nfs/dbraw/zinc/07/77/58/174077758.db2.gz DRSDOEMXIOLIRK-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000038067200 174079100 /nfs/dbraw/zinc/07/91/00/174079100.db2.gz IYBBUJKNQXJJQR-PRHODGIISA-N 0 0 290.190 3.596 10 0 CHAERN COc1ccc(Cl)cc1-c1cc(F)ccc1N ZINC000038069034 174080633 /nfs/dbraw/zinc/08/06/33/174080633.db2.gz FFFOJEXTVXOYPB-UHFFFAOYSA-N 0 0 251.688 3.737 10 0 CHAERN Cc1cc(C)cc(COc2cccc([C@H](C)O)c2)c1 ZINC000038076906 174087679 /nfs/dbraw/zinc/08/76/79/174087679.db2.gz UMZSFYAHKANMAH-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN CCOc1cccc([C@@H](O)c2ccccc2Cl)c1 ZINC000038078382 174088720 /nfs/dbraw/zinc/08/87/20/174088720.db2.gz VRHDUOQSINPBRX-OAHLLOKOSA-N 0 0 262.736 3.820 10 0 CHAERN Cc1ccc([C@@H](O)c2ccccc2Cl)cc1F ZINC000038078426 174088734 /nfs/dbraw/zinc/08/87/34/174088734.db2.gz BYKJYCQAQDFASW-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN COc1ccc(CSc2ccc(O)cc2)cc1OC ZINC000038079035 174088805 /nfs/dbraw/zinc/08/88/05/174088805.db2.gz XGLQPZXJDPSTJE-UHFFFAOYSA-N 0 0 276.357 3.702 10 0 CHAERN Cc1ncc(N)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000038094954 174108715 /nfs/dbraw/zinc/10/87/15/174108715.db2.gz YMBCINARQUWRCW-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN C[C@@H](c1ccccc1)N1Sc2ccccc2[S@]1=O ZINC000038438815 174141430 /nfs/dbraw/zinc/14/14/30/174141430.db2.gz KBTRLNROQFPPAT-VOJFVSQTSA-N 0 0 275.398 3.793 10 0 CHAERN COc1ccc2nc(-c3ccc(N)c(C)c3)sc2c1 ZINC000038979275 174160790 /nfs/dbraw/zinc/16/07/90/174160790.db2.gz IHAKSKROKLAGPF-UHFFFAOYSA-N 0 0 270.357 3.863 10 0 CHAERN COc1ccc(OC)c2c(Cl)cc(Cl)nc12 ZINC000039207469 174165631 /nfs/dbraw/zinc/16/56/31/174165631.db2.gz SNOQDVZNQFHZEZ-UHFFFAOYSA-N 0 0 258.104 3.559 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)c1cccc(O)c1 ZINC000039758585 174172374 /nfs/dbraw/zinc/17/23/74/174172374.db2.gz PDGCQBNJYSHDLL-UHFFFAOYSA-N 0 0 261.708 3.606 10 0 CHAERN CC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000040176325 174201466 /nfs/dbraw/zinc/20/14/66/174201466.db2.gz PIWZZSLIPXHNLX-UHFFFAOYSA-N 0 0 279.295 3.523 10 0 CHAERN CCc1nc2ccccc2n1CCOc1cccc(C)c1 ZINC000040227359 174208608 /nfs/dbraw/zinc/20/86/08/174208608.db2.gz NFMUEJIMVCGFGK-UHFFFAOYSA-N 0 0 280.371 3.986 10 0 CHAERN CCOCCn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238718 174211909 /nfs/dbraw/zinc/21/19/09/174211909.db2.gz YDSSTDGGWNZMIZ-MDZDMXLPSA-N 0 0 282.343 3.836 10 0 CHAERN CCN(Cc1ccc2c(c1)CCN2)c1cccc(C)c1 ZINC000040235177 174212106 /nfs/dbraw/zinc/21/21/06/174212106.db2.gz ROKSETXWWZLGRF-UHFFFAOYSA-N 0 0 266.388 3.990 10 0 CHAERN COc1cccc(C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000040243851 174214287 /nfs/dbraw/zinc/21/42/87/174214287.db2.gz DCTQWPJAFSDLLD-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN COc1cc(Cl)c([C@@H](O)c2cccs2)cc1OC ZINC000040259890 174216463 /nfs/dbraw/zinc/21/64/63/174216463.db2.gz WVSUAOZGZIFADQ-CYBMUJFWSA-N 0 0 284.764 3.500 10 0 CHAERN COc1ccc(F)cc1[C@@H](O)c1ccccc1Cl ZINC000040258382 174216727 /nfs/dbraw/zinc/21/67/27/174216727.db2.gz NUPIZMJKLUAICO-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN CCOc1ccc(Br)cc1[C@@H](O)C(C)C ZINC000040262078 174216974 /nfs/dbraw/zinc/21/69/74/174216974.db2.gz JEYWJUZSFDYZFV-LBPRGKRZSA-N 0 0 273.170 3.537 10 0 CHAERN OCc1cc(Cc2cccc3ccccc32)ccc1O ZINC000040538131 174321679 /nfs/dbraw/zinc/32/16/79/174321679.db2.gz VQJHMMXZJGFWJU-UHFFFAOYSA-N 0 0 264.324 3.629 10 0 CHAERN CCNc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040707401 174379494 /nfs/dbraw/zinc/37/94/94/174379494.db2.gz AVFBMPLKKWMGTF-UHFFFAOYSA-N 0 0 298.177 3.541 10 0 CHAERN CC(C)c1ccc(Oc2ncnc(N3CCCC3)c2N)cc1 ZINC000040724221 174386804 /nfs/dbraw/zinc/38/68/04/174386804.db2.gz YHWYCMWTORJCFM-UHFFFAOYSA-N 0 0 298.390 3.575 10 0 CHAERN Cc1ccccc1[C@@H](O)c1c(F)cccc1Cl ZINC000041307759 174516442 /nfs/dbraw/zinc/51/64/42/174516442.db2.gz PHBOKYBUCDKGJH-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1ccccc1C[C@@H](CO)Cc1ccc(F)cc1 ZINC000041342428 174526255 /nfs/dbraw/zinc/52/62/55/174526255.db2.gz CTEFXRFFCWFEHX-HNNXBMFYSA-N 0 0 258.336 3.528 10 0 CHAERN Cc1cc(C)c(OC[C@@H](O)c2ccccc2)c(C)c1 ZINC000042277279 174673777 /nfs/dbraw/zinc/67/37/77/174673777.db2.gz QXLYQKQSNYWRJT-MRXNPFEDSA-N 0 0 256.345 3.724 10 0 CHAERN CCOC(=O)c1sc(-c2ccco2)c(C(C)C)c1N ZINC000042289543 174675367 /nfs/dbraw/zinc/67/53/67/174675367.db2.gz FPZGEMSDNCCPFV-UHFFFAOYSA-N 0 0 279.361 3.890 10 0 CHAERN CCCCCN(c1c(F)cc(N)cc1F)C(C)C ZINC000042556304 174793254 /nfs/dbraw/zinc/79/32/54/174793254.db2.gz PTKYSTNBVBORLR-UHFFFAOYSA-N 0 0 256.340 3.952 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Nc1ccccc1C(N)=S ZINC000042582442 174806458 /nfs/dbraw/zinc/80/64/58/174806458.db2.gz WJTFWLIYIBKVHE-YPMHNXCESA-N 0 0 262.422 3.702 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cccc(F)c2N)s1 ZINC000042599652 174815736 /nfs/dbraw/zinc/81/57/36/174815736.db2.gz JOEOJVDYPQSOOA-SECBINFHSA-N 0 0 250.342 3.951 10 0 CHAERN C[C@@H]1CCCC[C@H]1N(C)c1cccc(Cl)c1CO ZINC000042608647 174821622 /nfs/dbraw/zinc/82/16/22/174821622.db2.gz DEDWEURYQVJMLB-BXUZGUMPSA-N 0 0 267.800 3.847 10 0 CHAERN O=C(CN(CC(F)(F)F)C1CC1)c1ccc(Cl)cc1 ZINC000042776026 174874368 /nfs/dbraw/zinc/87/43/68/174874368.db2.gz MCFSBMKPDYRDNU-UHFFFAOYSA-N 0 0 291.700 3.549 10 0 CHAERN Nc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000042880592 174902010 /nfs/dbraw/zinc/90/20/10/174902010.db2.gz QXUIPYWUDJIRBU-UHFFFAOYSA-N 0 0 268.341 3.736 10 0 CHAERN COc1ccc(OC)c(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476742 175054448 /nfs/dbraw/zinc/05/44/48/175054448.db2.gz SVWJFIWIWKNSOL-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN O[C@@H](Cc1cccc(F)c1)c1ccccc1Br ZINC000043560671 175066198 /nfs/dbraw/zinc/06/61/98/175066198.db2.gz ISSNNTJGDJNFFD-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN CCOC(=O)[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000043637619 175083876 /nfs/dbraw/zinc/08/38/76/175083876.db2.gz HDXYEMIVNQPMQK-SSDOTTSWSA-N 0 0 295.688 3.722 10 0 CHAERN O[C@H]1CCCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000043659033 175085742 /nfs/dbraw/zinc/08/57/42/175085742.db2.gz RREZNDBJUJTUDL-YGRLFVJLSA-N 0 0 256.748 3.963 10 0 CHAERN CC[C@H](CCOc1ccc(Br)cc1)[C@@H](C)O ZINC000043657227 175085779 /nfs/dbraw/zinc/08/57/79/175085779.db2.gz WISSJHAYUAHHSI-GHMZBOCLSA-N 0 0 287.197 3.625 10 0 CHAERN Cc1nn([C@H]2CCCCc3ccccc32)c(N)c1Cl ZINC000043667537 175086620 /nfs/dbraw/zinc/08/66/20/175086620.db2.gz UTBDABYFQZJOQN-ZDUSSCGKSA-N 0 0 275.783 3.743 10 0 CHAERN CCC[C@H](O)CCc1cc(Br)cs1 ZINC000043688707 175095835 /nfs/dbraw/zinc/09/58/35/175095835.db2.gz ARRIKLNKRRLFQQ-VIFPVBQESA-N 0 0 263.200 3.604 10 0 CHAERN CCN(C[C@@H](O)c1ccc(C)cc1)c1cccc(C)c1 ZINC000044161881 175147629 /nfs/dbraw/zinc/14/76/29/175147629.db2.gz IZAOWYXBNJSSDP-GOSISDBHSA-N 0 0 269.388 3.863 10 0 CHAERN COc1ccc2c(c1)O[C@@H](c1ccc(F)cc1)CC2=O ZINC000045358353 175361918 /nfs/dbraw/zinc/36/19/18/175361918.db2.gz LIINIWOYEGBFDA-OAHLLOKOSA-N 0 0 272.275 3.541 10 0 in-vivo CHAERN Cc1cc(Cl)ccc1OCC(=O)c1ccco1 ZINC000048101379 175420075 /nfs/dbraw/zinc/42/00/75/175420075.db2.gz WYARNXWPYLQFQS-UHFFFAOYSA-N 0 0 250.681 3.503 10 0 CHAERN CC(C)OC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000058818159 175628788 /nfs/dbraw/zinc/62/87/88/175628788.db2.gz FWOOBMRJMIIMQC-VOTSOKGWSA-N 0 0 259.132 3.958 10 0 CHAERN CC(C)(C)c1cc(Br)cc2ncoc21 ZINC000062536904 175668884 /nfs/dbraw/zinc/66/88/84/175668884.db2.gz XZNVIYFOQAICTD-UHFFFAOYSA-N 0 0 254.127 3.888 10 0 CHAERN CC(C)(C)OC(=O)Nc1cccc(-c2cncc(O)c2)c1 ZINC000065339680 175709858 /nfs/dbraw/zinc/70/98/58/175709858.db2.gz NCZIAFMFLKMLDK-UHFFFAOYSA-N 0 0 286.331 3.801 10 0 CHAERN C[C@H]1CCC[C@@H]1n1c(=S)[nH]nc1-c1ccccc1 ZINC000071208498 176081170 /nfs/dbraw/zinc/08/11/70/176081170.db2.gz ABONAPYROSHPMC-JQWIXIFHSA-N 0 0 259.378 3.969 10 0 CHAERN Fc1cc(Cl)ccc1NCc1cnn2ccccc12 ZINC000071372950 176138621 /nfs/dbraw/zinc/13/86/21/176138621.db2.gz PVQXMMLEDWISEE-UHFFFAOYSA-N 0 0 275.714 3.739 10 0 CHAERN CC(C)=CCOc1ccc(CO)cc1C(F)(F)F ZINC000071399270 176152107 /nfs/dbraw/zinc/15/21/07/176152107.db2.gz XSLXOHSXRHGYED-UHFFFAOYSA-N 0 0 260.255 3.543 10 0 CHAERN CCCOC(=O)c1c(Cl)ccc(SC(C)C)c1N ZINC000071414061 176158934 /nfs/dbraw/zinc/15/89/34/176158934.db2.gz CSZGDXZZNPMBKC-UHFFFAOYSA-N 0 0 287.812 3.990 10 0 CHAERN OCc1c(Cl)[nH]c2c1cc(Cl)cc2Cl ZINC000071466210 176182421 /nfs/dbraw/zinc/18/24/21/176182421.db2.gz XXVFQESTEUMGPQ-UHFFFAOYSA-N 0 0 250.512 3.620 10 0 CHAERN Cc1nc(-c2ccc(Br)o2)sc1C ZINC000071477068 176187553 /nfs/dbraw/zinc/18/75/53/176187553.db2.gz HMWPQEFYFYFAEN-UHFFFAOYSA-N 0 0 258.140 3.782 10 0 CHAERN Clc1ccc(-c2nccc(Br)n2)cc1 ZINC000071600860 176227297 /nfs/dbraw/zinc/22/72/97/176227297.db2.gz IUEWOWOUFUKDHW-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Clc1cccc(-n2nccc2-c2ccncc2)c1 ZINC000072190552 176336212 /nfs/dbraw/zinc/33/62/12/176336212.db2.gz BOVVCNNRLBDKBC-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Cc1cc2c(nc(-c3cccnc3)nc2NC2CC2)s1 ZINC000072260862 176351924 /nfs/dbraw/zinc/35/19/24/176351924.db2.gz VTGMFGFYZSRPTB-UHFFFAOYSA-N 0 0 282.372 3.636 10 0 CHAERN COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 ZINC000072443504 176403897 /nfs/dbraw/zinc/40/38/97/176403897.db2.gz YUJKYQVCRUHYEE-UHFFFAOYSA-N 0 0 277.327 3.896 10 0 CHAERN CC(C)(C)c1ccc2oc(Br)nc2c1 ZINC000075842694 176803689 /nfs/dbraw/zinc/80/36/89/176803689.db2.gz RFINRAKOKFTXTH-UHFFFAOYSA-N 0 0 254.127 3.888 10 0 CHAERN O[C@H](c1ccccc1F)c1cc(Cl)ccc1F ZINC000075872588 176809945 /nfs/dbraw/zinc/80/99/45/176809945.db2.gz SMULKCPNMHIHKX-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN O=C1Nc2ccc(Cl)cc2NC12CCCCCC2 ZINC000076882496 177126091 /nfs/dbraw/zinc/12/60/91/177126091.db2.gz OBDBOXIRFYJIEV-UHFFFAOYSA-N 0 0 264.756 3.797 10 0 CHAERN Cc1csc2c1ncnc2N[C@H]1COc2ccccc21 ZINC000191138027 226529546 /nfs/dbraw/zinc/52/95/46/226529546.db2.gz GLAQJXBMEKHJKL-NSHDSACASA-N 0 0 283.356 3.545 10 0 CHAERN C[C@H]1CCC[C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000336501131 227074534 /nfs/dbraw/zinc/07/45/34/227074534.db2.gz IXDXYJBWFBHBJA-JSGCOSHPSA-N 0 0 292.448 3.675 10 0 CHAERN C[C@H](N[C@H]1C[C@@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151481 227330001 /nfs/dbraw/zinc/33/00/01/227330001.db2.gz SIXJWAYOCUUAAW-YUTCNCBUSA-N 0 0 285.391 3.574 10 0 CHAERN C[C@@H]1CCC[C@@H](c2noc([C@H]3CCCC(=O)N3)n2)C1 ZINC000329597846 227632346 /nfs/dbraw/zinc/63/23/46/227632346.db2.gz PNSZFPXFFRFARK-GMTAPVOTSA-N 0 0 263.341 3.545 10 0 CHAERN O=C1CCC[C@H](c2nc(C(C3CCC3)C3CCC3)no2)N1 ZINC000329609678 227649693 /nfs/dbraw/zinc/64/96/93/227649693.db2.gz RAFCXGSKZVABKO-GFCCVEGCSA-N 0 0 289.379 3.935 10 0 CHAERN Cc1ccc(Oc2nccc(C(F)(F)F)n2)cc1F ZINC000302861310 227893770 /nfs/dbraw/zinc/89/37/70/227893770.db2.gz PTVYQSQHTGBFET-UHFFFAOYSA-N 0 0 272.201 3.735 10 0 CHAERN Clc1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202223 228112699 /nfs/dbraw/zinc/11/26/99/228112699.db2.gz FBVGHYLZVYIYJH-HNNXBMFYSA-N 0 0 275.783 3.790 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000336183746 228208324 /nfs/dbraw/zinc/20/83/24/228208324.db2.gz PDBJPHBUWZTEPV-GXFFZTMASA-N 0 0 264.756 3.665 10 0 CHAERN C[C@@H]1C[C@H](c2nc(-c3cocn3)no2)CC(C)(C)C1 ZINC000333214157 228193170 /nfs/dbraw/zinc/19/31/70/228193170.db2.gz QHYHCWVTQFGGST-ZJUUUORDSA-N 0 0 261.325 3.654 10 0 CHAERN CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000400809970 260002615 /nfs/dbraw/zinc/00/26/15/260002615.db2.gz WLKZMGURKCHVEM-CVEARBPZSA-N 0 0 281.440 3.523 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000179452761 260048367 /nfs/dbraw/zinc/04/83/67/260048367.db2.gz JFSVGMKJABCMHC-NHYWBVRUSA-N 0 0 263.356 3.611 10 0 CHAERN c1cn(-c2cccc(N[C@@H]3CCc4ccccc43)c2)cn1 ZINC000036940083 260054435 /nfs/dbraw/zinc/05/44/35/260054435.db2.gz WAYAZTQMGHACNU-GOSISDBHSA-N 0 0 275.355 3.972 10 0 CHAERN c1cnn(-c2ccc(N[C@@H]3CCc4ccccc43)cc2)c1 ZINC000036977947 260059443 /nfs/dbraw/zinc/05/94/43/260059443.db2.gz KBISCPBKJUXWCW-GOSISDBHSA-N 0 0 275.355 3.972 10 0 CHAERN CC1(C(=O)N[C@H]2CCOc3ccccc32)CCCCCC1 ZINC000180332639 260098286 /nfs/dbraw/zinc/09/82/86/260098286.db2.gz YZBYYESOLSLJOY-HNNXBMFYSA-N 0 0 287.403 3.987 10 0 CHAERN C[C@@H](Nc1cccc(Cn2cncn2)c1)c1cccs1 ZINC000037785088 260118137 /nfs/dbraw/zinc/11/81/37/260118137.db2.gz BOKSFDCMWOLOON-GFCCVEGCSA-N 0 0 284.388 3.561 10 0 CHAERN c1cc2c(cccc2C[NH2+][C@@H]2CCOc3ccccc32)[nH]1 ZINC000070938639 260158511 /nfs/dbraw/zinc/15/85/11/260158511.db2.gz AEVZFUVTPFZWFF-QGZVFWFLSA-N 0 0 278.355 3.781 10 0 CHAERN Cc1nccc(C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000086957341 260210872 /nfs/dbraw/zinc/21/08/72/260210872.db2.gz IKOGRBYWQCMSJJ-GJZGRUSLSA-N 0 0 275.440 3.870 10 0 CHAERN CCCOc1cccc(N[C@@H](C)c2cn(C)nc2C)c1 ZINC000087407909 260213780 /nfs/dbraw/zinc/21/37/80/260213780.db2.gz QMMJLHDFLWMNEA-LBPRGKRZSA-N 0 0 273.380 3.690 10 0 CHAERN CC[C@H](NC(=O)c1cc(Br)ccc1C)C(C)C ZINC000087745257 260224990 /nfs/dbraw/zinc/22/49/90/260224990.db2.gz NBGHWJZSFRZXGZ-ZDUSSCGKSA-N 0 0 298.224 3.922 10 0 CHAERN CCCn1ccc(CNc2cc(OC)ccc2OC)c1 ZINC000091009147 260264545 /nfs/dbraw/zinc/26/45/45/260264545.db2.gz WPIYKESHAMSGNS-UHFFFAOYSA-N 0 0 274.364 3.527 10 0 CHAERN CCCn1ccc(CNc2ccc(N(CC)CC)nc2)c1 ZINC000091010962 260264799 /nfs/dbraw/zinc/26/47/99/260264799.db2.gz UDPFIWPRAUOLBM-UHFFFAOYSA-N 0 0 286.423 3.751 10 0 CHAERN CC(C)[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000126403470 260351612 /nfs/dbraw/zinc/35/16/12/260351612.db2.gz MUAKUVJGSYASCS-SFYZADRCSA-N 0 0 277.231 3.601 10 0 CHAERN CC1(C)[C@H](Nc2cccc(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000085629447 260377230 /nfs/dbraw/zinc/37/72/30/260377230.db2.gz FFOZRGGVNBIIEE-XQQFMLRXSA-N 0 0 296.208 3.675 10 0 CHAERN Cc1cc2c(N[C@@H](C)c3ccc(Cl)s3)nccn2n1 ZINC000129283252 260384825 /nfs/dbraw/zinc/38/48/25/260384825.db2.gz DADGIKGDPAITNO-VIFPVBQESA-N 0 0 292.795 3.926 10 0 CHAERN Cc1cc2c(N[C@H](C)c3ccc(Cl)cc3)nccn2n1 ZINC000129307410 260385444 /nfs/dbraw/zinc/38/54/44/260385444.db2.gz YLIDUXDKICMBBP-LLVKDONJSA-N 0 0 286.766 3.864 10 0 CHAERN C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(Cl)s1 ZINC000093049766 260507131 /nfs/dbraw/zinc/50/71/31/260507131.db2.gz PYGPLWROYSFMKL-VHSXEESVSA-N 0 0 294.807 3.777 10 0 CHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000153944692 261085663 /nfs/dbraw/zinc/08/56/63/261085663.db2.gz BJGKZCOLQIYDAP-CHWSQXEVSA-N 0 0 276.380 3.700 10 0 CHAERN CSc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(Cl)cc1Cl ZINC000154052141 261087411 /nfs/dbraw/zinc/08/74/11/261087411.db2.gz FGGREKNTBGTPKN-QUBYGPBYSA-N 0 0 290.215 3.854 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)C(C)C)cc1F ZINC000176217251 261269342 /nfs/dbraw/zinc/26/93/42/261269342.db2.gz LYOGYKMXEOAPHK-RYUDHWBXSA-N 0 0 251.345 3.603 10 0 CHAERN CO[C@@H](C)c1cccc(NCc2cn3cccc(C)c3n2)c1 ZINC000102887267 261272044 /nfs/dbraw/zinc/27/20/44/261272044.db2.gz YZIIXYRTBTWUSU-AWEZNQCLSA-N 0 0 295.386 3.962 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000162632931 261289310 /nfs/dbraw/zinc/28/93/10/261289310.db2.gz DQOLMSLWPNQWAH-WBMJQRKESA-N 0 0 255.361 3.707 10 0 CHAERN CC1(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000176635195 261300731 /nfs/dbraw/zinc/30/07/31/261300731.db2.gz QGEOFLLJQFUJTK-QWRGUYRKSA-N 0 0 292.345 3.597 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000176614021 261301466 /nfs/dbraw/zinc/30/14/66/261301466.db2.gz IZMNVJHJNDEWKK-JSGCOSHPSA-N 0 0 276.380 3.705 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2cc(F)c(F)cc2F)o1 ZINC000105047186 261306448 /nfs/dbraw/zinc/30/64/48/261306448.db2.gz AYRROGAKGFZWIY-QMMMGPOBSA-N 0 0 298.264 3.888 10 0 CHAERN Cc1cc(NC(=O)c2coc(Br)c2)ccc1F ZINC000103025439 261310852 /nfs/dbraw/zinc/31/08/52/261310852.db2.gz GQZZURQYZYWAKE-UHFFFAOYSA-N 0 0 298.111 3.742 10 0 CHAERN FC(F)c1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105607165 261311425 /nfs/dbraw/zinc/31/14/25/261311425.db2.gz MBEIKFVSMVPNAU-UHFFFAOYSA-N 0 0 291.257 3.879 10 0 CHAERN Cc1ccc(NCc2nc(-c3ccoc3)no2)c(C)c1 ZINC000105606135 261313254 /nfs/dbraw/zinc/31/32/54/261313254.db2.gz ZVVPNQVQGAMWEI-UHFFFAOYSA-N 0 0 269.304 3.559 10 0 CHAERN Fc1ccc(Cl)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606388 261313407 /nfs/dbraw/zinc/31/34/07/261313407.db2.gz SKXZAYLVVUFHKT-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN C[C@@H](SCC(=O)NC(C)(C)C)c1cc(F)ccc1F ZINC000105633344 261314248 /nfs/dbraw/zinc/31/42/48/261314248.db2.gz RSMSAVLGBUCOBJ-SECBINFHSA-N 0 0 287.375 3.674 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850624 261317164 /nfs/dbraw/zinc/31/71/64/261317164.db2.gz WLOVTVYMSPTVCM-WFASDCNBSA-N 0 0 291.439 3.527 10 0 CHAERN CCC[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)cs1 ZINC000301755396 261341076 /nfs/dbraw/zinc/34/10/76/261341076.db2.gz KKMFTPNONHEYTL-RQJHMYQMSA-N 0 0 250.289 3.762 10 0 CHAERN CCn1ccnc1C[S@@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177294644 261344885 /nfs/dbraw/zinc/34/48/85/261344885.db2.gz FFFXTXLCFAWVTI-JEOXALJRSA-N 0 0 296.823 3.566 10 0 CHAERN CCC[C@H]1C[C@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302749459 261354709 /nfs/dbraw/zinc/35/47/09/261354709.db2.gz GPVHHLFTPYPZRH-NKWVEPMBSA-N 0 0 250.289 3.762 10 0 CHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178294732 261384139 /nfs/dbraw/zinc/38/41/39/261384139.db2.gz NRKVUMPCFHFKGO-VVLHAWIVSA-N 0 0 275.436 3.851 10 0 CHAERN O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168766164 261421299 /nfs/dbraw/zinc/42/12/99/261421299.db2.gz OWYQTBAVIHCOBE-KGLIPLIRSA-N 0 0 297.320 3.633 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CC3)c3ccccc32)o1 ZINC000172468401 261501779 /nfs/dbraw/zinc/50/17/79/261501779.db2.gz JVEJVQYCHKJCNK-CYBMUJFWSA-N 0 0 296.370 3.910 10 0 CHAERN CC(C)CCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176206309 261642609 /nfs/dbraw/zinc/64/26/09/261642609.db2.gz IUMHROBDJDKZHV-CYBMUJFWSA-N 0 0 295.452 3.816 10 0 CHAERN Cc1ccccc1[C@H](C)NCc1nccn1C(C)C ZINC000181545371 261901685 /nfs/dbraw/zinc/90/16/85/261901685.db2.gz PZZZGMIRBLIRDR-AWEZNQCLSA-N 0 0 257.381 3.623 10 0 CHAERN COCCC[C@H](C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000182863614 261953530 /nfs/dbraw/zinc/95/35/30/261953530.db2.gz DSSROVWRWZEXCD-ZQIUZPCESA-N 0 0 289.419 3.804 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000182904736 261955154 /nfs/dbraw/zinc/95/51/54/261955154.db2.gz BVGCWNGXXMBSCS-VNHYZAJKSA-N 0 0 274.408 3.721 10 0 CHAERN c1ccc(N(Cc2nc(C3CC3)no2)C2CCCC2)cc1 ZINC000108872477 262065569 /nfs/dbraw/zinc/06/55/69/262065569.db2.gz WSEIYPXGKRLQJB-UHFFFAOYSA-N 0 0 283.375 3.896 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(CC)cc2)C12CCOCC2 ZINC000186447298 262094276 /nfs/dbraw/zinc/09/42/76/262094276.db2.gz ATCTZLKTPSFGEY-IRXDYDNUSA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cc(F)ccc2C)C12CCOCC2 ZINC000186476000 262095009 /nfs/dbraw/zinc/09/50/09/262095009.db2.gz AJPQJRBISGQFHU-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@H]1CCC[C@@H](CC(=O)N2CCCc3c(N)cccc32)C1 ZINC000126559032 264222802 /nfs/dbraw/zinc/22/28/02/264222802.db2.gz PMUQOQPDCFAUOF-UONOGXRCSA-N 0 0 286.419 3.764 10 0 CHAERN CCC(CC)(CC)[S@](=O)Cc1nccn1C(C)C ZINC000190559074 264397535 /nfs/dbraw/zinc/39/75/35/264397535.db2.gz ACVGIVQBBWNTSP-GOSISDBHSA-N 0 0 270.442 3.682 10 0 CHAERN C[C@H]1C[C@H](c2noc(C3CCOCC3)n2)C[C@@H](C)C1 ZINC000335803823 265210598 /nfs/dbraw/zinc/21/05/98/265210598.db2.gz PXIRWTADZQRDOH-PJXYFTJBSA-N 0 0 264.369 3.503 10 0 CHAERN C[C@@H](Oc1ccc2ccccc2c1Br)[C@H](C)O ZINC000094654910 265248914 /nfs/dbraw/zinc/24/89/14/265248914.db2.gz BHBWSPVKWHFMJF-VHSXEESVSA-N 0 0 295.176 3.750 10 0 CHAERN C[C@@H]1CCCC[C@]1(O)c1ccc(Br)cc1 ZINC000521401047 265438630 /nfs/dbraw/zinc/43/86/30/265438630.db2.gz FHOQYJIWJKHJRR-ZWNOBZJWSA-N 0 0 269.182 3.847 10 0 CHAERN C[C@H]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000521401205 265438768 /nfs/dbraw/zinc/43/87/68/265438768.db2.gz GNRGPJCYROKOTM-GXFFZTMASA-N 0 0 269.182 3.847 10 0 CHAERN CCc1nsc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000301519865 265982098 /nfs/dbraw/zinc/98/20/98/265982098.db2.gz HKHREILSOSQXCL-JGVFFNPUSA-N 0 0 279.331 3.634 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccncc1 ZINC000114517010 266392495 /nfs/dbraw/zinc/39/24/95/266392495.db2.gz FSJSGNHJOREXFE-MAUKXSAKSA-N 0 0 299.418 3.675 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116048215 267121149 /nfs/dbraw/zinc/12/11/49/267121149.db2.gz LOHRJVOGAOMZQO-NSHDSACASA-N 0 0 261.346 3.627 10 0 CHAERN O=C(c1ccc(Cl)s1)N1CCC[C@H]1c1ccco1 ZINC000116043703 267121155 /nfs/dbraw/zinc/12/11/55/267121155.db2.gz LTLCOKRIHSJPRP-VIFPVBQESA-N 0 0 281.764 3.972 10 0 CHAERN c1coc([C@@H]2CCCN2c2cnc3ccccc3n2)c1 ZINC000116262442 267135199 /nfs/dbraw/zinc/13/51/99/267135199.db2.gz HHKCTMBKDXLABU-AWEZNQCLSA-N 0 0 265.316 3.564 10 0 CHAERN CCc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccco1 ZINC000116290154 267136104 /nfs/dbraw/zinc/13/61/04/267136104.db2.gz JJAIIVQFEVQRMS-MRXNPFEDSA-N 0 0 298.386 3.618 10 0 CHAERN O=C(NCCCc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116412792 267151970 /nfs/dbraw/zinc/15/19/70/267151970.db2.gz IXIYBILMQBDCCN-MRXNPFEDSA-N 0 0 298.386 3.759 10 0 CHAERN O=C(Nc1c(F)cccc1F)N1CCC[C@H]1c1ccco1 ZINC000116475501 267152824 /nfs/dbraw/zinc/15/28/24/267152824.db2.gz JCIQGJMCWWVWPJ-LBPRGKRZSA-N 0 0 292.285 3.927 10 0 CHAERN CCc1noc([C@@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000117893844 267225062 /nfs/dbraw/zinc/22/50/62/267225062.db2.gz LKJLFRGKYQCVGI-LLVKDONJSA-N 0 0 289.404 3.544 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2CCCCC[C@H]21 ZINC000370241680 267302509 /nfs/dbraw/zinc/30/25/09/267302509.db2.gz GEDKCZRVIASLFS-XJKSGUPXSA-N 0 0 268.360 3.573 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119155223 267305095 /nfs/dbraw/zinc/30/50/95/267305095.db2.gz TVBCMLYIBLZECT-INIZCTEOSA-N 0 0 290.382 3.645 10 0 CHAERN CCC1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCC1 ZINC000121445466 267656046 /nfs/dbraw/zinc/65/60/46/267656046.db2.gz AHIPOIAGUPYBNV-AWEZNQCLSA-N 0 0 287.403 3.985 10 0 CHAERN Cc1cc(NC(=O)c2ccc3cc[nH]c3c2)nc(C(C)C)n1 ZINC000123246445 268018404 /nfs/dbraw/zinc/01/84/04/268018404.db2.gz CXUNIWWMZKTJQS-UHFFFAOYSA-N 0 0 294.358 3.642 10 0 CHAERN Cc1csc2c1ncnc2NC(C)(C)COC(C)C ZINC000396481461 328823013 /nfs/dbraw/zinc/82/30/13/328823013.db2.gz LWMUJXZRYPQOPI-UHFFFAOYSA-N 0 0 279.409 3.615 10 0 CHAERN CCN(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)C(C)C ZINC000171117600 327751792 /nfs/dbraw/zinc/75/17/92/327751792.db2.gz BLLXCGMHSGUBSU-JTQLQIEISA-N 0 0 286.778 3.980 10 0 CHAERN CC(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000185419313 327839573 /nfs/dbraw/zinc/83/95/73/327839573.db2.gz CSEHQNIQXZTOPG-CHWSQXEVSA-N 0 0 280.437 3.879 10 0 CHAERN CC[C@@H](Nc1cccc2c1CCCC2)[C@H]1CCOC1 ZINC000388463368 327882872 /nfs/dbraw/zinc/88/28/72/327882872.db2.gz BKNGOCBVOSDNCO-GOEBONIOSA-N 0 0 259.393 3.792 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000152047690 328007451 /nfs/dbraw/zinc/00/74/51/328007451.db2.gz CBFHSVPBOLJEED-HOTGVXAUSA-N 0 0 295.467 3.508 10 0 CHAERN CC1CCC(CNC(=O)c2cccc3c2CCCN3)CC1 ZINC000063147066 328036305 /nfs/dbraw/zinc/03/63/05/328036305.db2.gz UXWCXYJSGPPRSL-UHFFFAOYSA-N 0 0 286.419 3.601 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC3(CCC3)C2)cc1F ZINC000152210530 328080457 /nfs/dbraw/zinc/08/04/57/328080457.db2.gz PBJWJBNKEAVDNG-ZDUSSCGKSA-N 0 0 290.382 3.781 10 0 CHAERN CC(C)[C@H]1C[C@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000185456881 329273642 /nfs/dbraw/zinc/27/36/42/329273642.db2.gz PMFNZFYNCIAJGE-ZIAGYGMSSA-N 0 0 275.417 3.656 10 0 CHAERN CCCc1noc(-c2ccc3ccccc3c2O)n1 ZINC000111688046 328374683 /nfs/dbraw/zinc/37/46/83/328374683.db2.gz ZRVIGTIDRBOQIY-UHFFFAOYSA-N 0 0 254.289 3.548 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2cc(F)ccc2F)cs1 ZINC000312424097 326805898 /nfs/dbraw/zinc/80/58/98/326805898.db2.gz SQNCVRLERXLCRA-QMMMGPOBSA-N 0 0 297.326 3.755 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000033606115 328602108 /nfs/dbraw/zinc/60/21/08/328602108.db2.gz JDOXCHVLSDFJAD-QMMMGPOBSA-N 0 0 260.164 3.768 10 0 CHAERN CC1CC(C(=O)Nc2ccc(Br)c(F)c2)C1 ZINC000530762229 326889942 /nfs/dbraw/zinc/88/99/42/326889942.db2.gz LNJCNTLDXMBYIN-UHFFFAOYSA-N 0 0 286.144 3.573 10 0 CHAERN CCOC(=O)C(C)(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000041414844 326930345 /nfs/dbraw/zinc/93/03/45/326930345.db2.gz PQKCEJYLHHOOTH-UHFFFAOYSA-N 0 0 276.376 3.756 10 0 CHAERN COc1cc2c(c(C)c1C)C(=O)[C@@H](C1CCCC1)C2 ZINC000060133028 327018474 /nfs/dbraw/zinc/01/84/74/327018474.db2.gz PPAKRAKRBOSTRN-CQSZACIVSA-N 0 0 258.361 3.857 10 0 CHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)OC(C)(C)C)cc1F ZINC000090451763 327148591 /nfs/dbraw/zinc/14/85/91/327148591.db2.gz WIAQSUHMJKKFHQ-NWDGAFQWSA-N 0 0 281.371 3.515 10 0 CHAERN O=C(NCCc1ccsc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000150831651 327386520 /nfs/dbraw/zinc/38/65/20/327386520.db2.gz ZEENXXVPIYSJEY-GJZGRUSLSA-N 0 0 277.433 3.623 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000151886710 327519505 /nfs/dbraw/zinc/51/95/05/327519505.db2.gz DONNMBPGGFIDQA-NWDGAFQWSA-N 0 0 280.799 3.843 10 0 CHAERN COc1ccc([C@@H](C)C(=O)NCCCC(C)(C)C)cc1 ZINC000126579746 328657213 /nfs/dbraw/zinc/65/72/13/328657213.db2.gz PBASWIPYGXGBKA-CYBMUJFWSA-N 0 0 277.408 3.741 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCOC1 ZINC000102613917 328708972 /nfs/dbraw/zinc/70/89/72/328708972.db2.gz VQJQNILMGKKSHO-CQSZACIVSA-N 0 0 295.810 3.505 10 0 CHAERN CC1(C)CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000102918495 328715804 /nfs/dbraw/zinc/71/58/04/328715804.db2.gz VOAGTMTUCHHFCA-UONOGXRCSA-N 0 0 277.795 3.845 10 0 CHAERN CC(C)(CC(=O)N1CCCC1(C)C)c1ccccc1 ZINC000102918523 328715856 /nfs/dbraw/zinc/71/58/56/328715856.db2.gz CZFOSGHHFULSKO-UHFFFAOYSA-N 0 0 259.393 3.755 10 0 CHAERN COC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000042297908 328764749 /nfs/dbraw/zinc/76/47/49/328764749.db2.gz KUYFXEYBTWKJCE-ZIAGYGMSSA-N 0 0 283.371 3.566 10 0 CHAERN Cc1cccc(C(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103129890 328766094 /nfs/dbraw/zinc/76/60/94/328766094.db2.gz SAWAEFLNZHUAMH-UHFFFAOYSA-N 0 0 292.382 3.757 10 0 CHAERN COC[C@H](C)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000103387052 328769847 /nfs/dbraw/zinc/76/98/47/328769847.db2.gz ZNXLCKSATGOCFM-INIZCTEOSA-N 0 0 297.398 3.545 10 0 CHAERN COC[C@H](C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC000103392889 328770081 /nfs/dbraw/zinc/77/00/81/328770081.db2.gz JXULBMLLQQSZLG-HNNXBMFYSA-N 0 0 297.398 3.561 10 0 CHAERN C[C@H]1CC[C@H](C)N(c2nn3cc(C(C)(C)C)nc3s2)C1 ZINC000301421106 328827837 /nfs/dbraw/zinc/82/78/37/328827837.db2.gz DWSGQQNSEWVFNM-QWRGUYRKSA-N 0 0 292.452 3.713 10 0 CHAERN O=C([C@@H]1CC=CCC1)N1CC=C(c2cccs2)CC1 ZINC000117723048 328942841 /nfs/dbraw/zinc/94/28/41/328942841.db2.gz UDRNUCFKEWXQAR-CQSZACIVSA-N 0 0 273.401 3.720 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000193853052 329062169 /nfs/dbraw/zinc/06/21/69/329062169.db2.gz OGDZHTNTGCJDRZ-ZQIUZPCESA-N 0 0 289.419 3.660 10 0 CHAERN Cc1nc([C@H](C)NC(=O)c2ccccc2Cl)cs1 ZINC000170524811 329067369 /nfs/dbraw/zinc/06/73/69/329067369.db2.gz LJQYZWZAIHJEGJ-QMMMGPOBSA-N 0 0 280.780 3.596 10 0 CHAERN Cc1nc([C@@H](C)Nc2nc3ccccc3nc2C)cs1 ZINC000170543352 329067575 /nfs/dbraw/zinc/06/75/75/329067575.db2.gz URBPPGBOZSBZSC-SECBINFHSA-N 0 0 284.388 3.876 10 0 CHAERN C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171808032 329080408 /nfs/dbraw/zinc/08/04/08/329080408.db2.gz GYKCKHUQEJNODA-PBHICJAKSA-N 0 0 295.382 3.505 10 0 CHAERN Cc1nc(NC(=O)N2CCC[C@@H]2c2ccco2)sc1C ZINC000172101020 329081194 /nfs/dbraw/zinc/08/11/94/329081194.db2.gz ZAPFEIPWWOQNJC-LLVKDONJSA-N 0 0 291.376 3.722 10 0 CHAERN CSc1ccccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000172241471 329084173 /nfs/dbraw/zinc/08/41/73/329084173.db2.gz ZDMPCYJAFRHEBV-ZDUSSCGKSA-N 0 0 287.384 3.979 10 0 CHAERN O=C(C1CCCCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172927230 329140761 /nfs/dbraw/zinc/14/07/61/329140761.db2.gz IUKFIWFTOQMFQR-INIZCTEOSA-N 0 0 289.423 3.824 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2Cl)o1 ZINC000173479075 329147236 /nfs/dbraw/zinc/14/72/36/329147236.db2.gz CQGWSLMDJQEQLR-SECBINFHSA-N 0 0 281.714 3.872 10 0 CHAERN CC(=O)c1ccccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000174384066 329158219 /nfs/dbraw/zinc/15/82/19/329158219.db2.gz DJKDXXKTKDMODW-SFHVURJKSA-N 0 0 293.366 3.697 10 0 CHAERN C[C@H]1CC[C@H](CCC(=O)N2CC=C(c3ccccc3)CC2)O1 ZINC000174975223 329161929 /nfs/dbraw/zinc/16/19/29/329161929.db2.gz KSJJCSUVKROACS-MAUKXSAKSA-N 0 0 299.414 3.650 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)c(F)cc1F ZINC000176406522 329175337 /nfs/dbraw/zinc/17/53/37/329175337.db2.gz JCYFNYUIPFRUKF-AWEZNQCLSA-N 0 0 291.297 3.844 10 0 CHAERN CC(=O)CSCc1ncc(-c2ccccc2Cl)o1 ZINC000176745670 329176539 /nfs/dbraw/zinc/17/65/39/329176539.db2.gz YYOIDVKTAZYAST-UHFFFAOYSA-N 0 0 281.764 3.817 10 0 CHAERN CC(C(=O)N1CCC[C@@H](c2nccs2)C1)=C1CCCC1 ZINC000176613775 329177385 /nfs/dbraw/zinc/17/73/85/329177385.db2.gz IVHZNILAVGWVHL-CQSZACIVSA-N 0 0 290.432 3.740 10 0 CHAERN CC(C)=C(F)C(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000177867866 329193429 /nfs/dbraw/zinc/19/34/29/329193429.db2.gz RRCWECQHZNACMD-UHFFFAOYSA-N 0 0 285.322 3.654 10 0 CHAERN CCCn1ccc2cc(NC(=O)[C@H]3CC[C@@H](C)O3)ccc21 ZINC000178184445 329194261 /nfs/dbraw/zinc/19/42/61/329194261.db2.gz YAPAGICHSMRYJU-MLGOLLRUSA-N 0 0 286.375 3.557 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(Br)cc2)o1 ZINC000220936897 329204078 /nfs/dbraw/zinc/20/40/78/329204078.db2.gz VUADEAFXVUIYDC-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1nccs1 ZINC000179811543 329212506 /nfs/dbraw/zinc/21/25/06/329212506.db2.gz DWTVZYPMWBEZGL-SNVBAGLBSA-N 0 0 287.388 3.591 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)c1C ZINC000180164855 329218126 /nfs/dbraw/zinc/21/81/26/329218126.db2.gz BUPUJXXGBGYLSL-SMDDNHRTSA-N 0 0 291.439 3.921 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC23CCCCC3)o1 ZINC000180284610 329219371 /nfs/dbraw/zinc/21/93/71/329219371.db2.gz PRCJGYUUMBJFBA-OCCSQVGLSA-N 0 0 276.380 3.671 10 0 CHAERN C[C@H]1C[C@H](C(=O)NC(C)(C)c2nccs2)CC(C)(C)C1 ZINC000180595772 329221003 /nfs/dbraw/zinc/22/10/03/329221003.db2.gz DYQDXXJURQYJRG-RYUDHWBXSA-N 0 0 294.464 3.957 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC[C@@H](C)OC)o1 ZINC000181541256 329234086 /nfs/dbraw/zinc/23/40/86/329234086.db2.gz UNLSDKGNXOZHOJ-HIFRSBDPSA-N 0 0 293.407 3.711 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccco2)CC(C)(C)C1 ZINC000182490090 329242311 /nfs/dbraw/zinc/24/23/11/329242311.db2.gz FXYHQTPKEMARJZ-OLZOCXBDSA-N 0 0 263.381 3.700 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)Nc2ccncc2F)c2ccccc21 ZINC000184129145 329256544 /nfs/dbraw/zinc/25/65/44/329256544.db2.gz NGMRFBJZNKPBJG-IAQYHMDHSA-N 0 0 299.349 3.981 10 0 CHAERN CC(C)C[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548401 329345111 /nfs/dbraw/zinc/34/51/11/329345111.db2.gz YERUVHIAMGVGIK-LLVKDONJSA-N 0 0 261.369 3.510 10 0 CHAERN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)co1 ZINC000187131747 329353665 /nfs/dbraw/zinc/35/36/65/329353665.db2.gz KMIUUYAGHDDWMJ-UHFFFAOYSA-N 0 0 267.328 3.518 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000187761992 329360521 /nfs/dbraw/zinc/36/05/21/329360521.db2.gz SNQOMVLDPOKBNG-HNNXBMFYSA-N 0 0 285.391 3.671 10 0 CHAERN Cc1nc(NC(=O)[C@@H]2CCC[C@H]2C)ccc1Br ZINC000230058562 329362347 /nfs/dbraw/zinc/36/23/47/329362347.db2.gz FDDYFOHWNJXUGZ-PSASIEDQSA-N 0 0 297.196 3.527 10 0 CHAERN Fc1ccc(F)c([C@H]2CCCN(Cc3cncs3)C2)c1 ZINC000188043108 329363599 /nfs/dbraw/zinc/36/35/99/329363599.db2.gz SHDLSOQACOQEMX-NSHDSACASA-N 0 0 294.370 3.801 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1cccc(Cl)c1 ZINC000188151528 329364905 /nfs/dbraw/zinc/36/49/05/329364905.db2.gz SHGIXVNSEPBNEH-DFBGVHRSSA-N 0 0 295.810 3.722 10 0 CHAERN Cc1nn(C)cc1NCc1ccc(-c2ccncc2)cc1F ZINC000189573593 329383535 /nfs/dbraw/zinc/38/35/35/329383535.db2.gz GILWAQVXUQTSNY-UHFFFAOYSA-N 0 0 296.349 3.542 10 0 CHAERN O=C(CC1CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189822907 329389455 /nfs/dbraw/zinc/38/94/55/329389455.db2.gz ORIIWMOFXZXIKE-UHFFFAOYSA-N 0 0 299.414 3.662 10 0 CHAERN O=C(C1CCCC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190269110 329394210 /nfs/dbraw/zinc/39/42/10/329394210.db2.gz VEHRQNNJANDKPN-ZDUSSCGKSA-N 0 0 293.357 3.861 10 0 CHAERN CCCCCOCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190377839 329395720 /nfs/dbraw/zinc/39/57/20/329395720.db2.gz HBMNUSFOCDWTJZ-JSGCOSHPSA-N 0 0 296.411 3.695 10 0 CHAERN CC[C@]1(C)C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389829 329395901 /nfs/dbraw/zinc/39/59/01/329395901.db2.gz CTXXODCXISRKDT-CENBSLRLSA-N 0 0 278.396 3.892 10 0 CHAERN CCCCO[C@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190392892 329396128 /nfs/dbraw/zinc/39/61/28/329396128.db2.gz UUKAWYZPSRSTJX-AGIUHOORSA-N 0 0 296.411 3.866 10 0 CHAERN CC[C@H](SC)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190394978 329396286 /nfs/dbraw/zinc/39/62/86/329396286.db2.gz JFRJJRKBVKYLTP-DCAQKATOSA-N 0 0 284.425 3.802 10 0 CHAERN O=C(c1ccoc1Cl)N1CC=C(c2cccs2)CC1 ZINC000192314896 329431240 /nfs/dbraw/zinc/43/12/40/329431240.db2.gz FEHFAUULNSDJIL-UHFFFAOYSA-N 0 0 293.775 3.924 10 0 CHAERN O=C(c1ccoc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000192313536 329431351 /nfs/dbraw/zinc/43/13/51/329431351.db2.gz QBUJEITVBOGNKU-SNVBAGLBSA-N 0 0 265.696 3.503 10 0 CHAERN COc1ccc2nc(C)cc(OCc3nc(C)c(C)o3)c2c1 ZINC000193454287 329470621 /nfs/dbraw/zinc/47/06/21/329470621.db2.gz XIQAKIFFAYKKRF-UHFFFAOYSA-N 0 0 298.342 3.736 10 0 CHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cccc(Cl)c1 ZINC000101526426 329533777 /nfs/dbraw/zinc/53/37/77/329533777.db2.gz HURXACZTJJHXLQ-UHFFFAOYSA-N 0 0 299.717 3.642 10 0 CHAERN O=C(CCC1CCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116048233 329544652 /nfs/dbraw/zinc/54/46/52/329544652.db2.gz YHBRDUYTKHKEIP-CQSZACIVSA-N 0 0 261.365 3.914 10 0 CHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000117750630 329546422 /nfs/dbraw/zinc/54/64/22/329546422.db2.gz CKMUGOIDYQZACC-GTNSWQLSSA-N 0 0 292.338 3.671 10 0 CHAERN CCC(C)(C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117722558 329546448 /nfs/dbraw/zinc/54/64/48/329546448.db2.gz QIBRFKYCHDOQOE-UHFFFAOYSA-N 0 0 263.406 3.800 10 0 CHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)C(F)=C(C)C)CCC2 ZINC000119332551 329548138 /nfs/dbraw/zinc/54/81/38/329548138.db2.gz MAWSEJBXHPSAIC-LLVKDONJSA-N 0 0 296.411 3.805 10 0 CHAERN COc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)c(C)n1 ZINC000124123961 329566901 /nfs/dbraw/zinc/56/69/01/329566901.db2.gz SWHILHCWTSLONU-LBPRGKRZSA-N 0 0 299.374 3.590 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)c2ccccc21 ZINC000124838035 329574527 /nfs/dbraw/zinc/57/45/27/329574527.db2.gz IJHWHBGHGFXCPP-UGSOOPFHSA-N 0 0 295.382 3.690 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125748941 329586583 /nfs/dbraw/zinc/58/65/83/329586583.db2.gz OKADXAMRBODKJY-AWEZNQCLSA-N 0 0 291.439 3.722 10 0 CHAERN COc1cc(F)ccc1NC(=O)N[C@@H](C)c1cccs1 ZINC000044236496 329590777 /nfs/dbraw/zinc/59/07/77/329590777.db2.gz YTNKUJBWYHVRDZ-VIFPVBQESA-N 0 0 294.351 3.779 10 0 CHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000129376616 329617055 /nfs/dbraw/zinc/61/70/55/329617055.db2.gz XFSXWNBZWAVFMO-XIRDDKMYSA-N 0 0 287.403 3.534 10 0 CHAERN CCc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130822000 329628732 /nfs/dbraw/zinc/62/87/32/329628732.db2.gz VHTUQEAOOMPSCX-ZIAGYGMSSA-N 0 0 298.434 3.589 10 0 CHAERN Cc1cc(NC(=O)c2ccoc2Cl)c(C)cc1O ZINC000235831265 329683675 /nfs/dbraw/zinc/68/36/75/329683675.db2.gz GOOBJNKCDYATGQ-UHFFFAOYSA-N 0 0 265.696 3.508 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc3ncccc32)o1 ZINC000073419569 329860747 /nfs/dbraw/zinc/86/07/47/329860747.db2.gz QFRRIIJMYHTQFH-LBPRGKRZSA-N 0 0 280.327 3.627 10 0 CHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(F)cn1 ZINC000248373909 329890290 /nfs/dbraw/zinc/89/02/90/329890290.db2.gz MKFYOABLSHVRQY-XJKCOSOUSA-N 0 0 298.361 3.627 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000248625455 329896108 /nfs/dbraw/zinc/89/61/08/329896108.db2.gz YVEAIARWGPDZGG-RRFJBIMHSA-N 0 0 299.418 3.732 10 0 CHAERN CCC[C@H]([NH2+][C@H](C)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000263423318 330055028 /nfs/dbraw/zinc/05/50/28/330055028.db2.gz PQGUEHIDPBQFMD-LIFKJRKOSA-N 0 0 293.451 3.824 10 0 CHAERN CSc1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000263437120 330055727 /nfs/dbraw/zinc/05/57/27/330055727.db2.gz UZHUVXOGHYHQPO-GXFFZTMASA-N 0 0 297.395 3.548 10 0 CHAERN Cc1csc([C@@H](C)N[C@H](C)c2csc(C)n2)n1 ZINC000080270275 330116262 /nfs/dbraw/zinc/11/62/62/330116262.db2.gz NQHQFCZNHAIVOB-RKDXNWHRSA-N 0 0 267.423 3.628 10 0 CHAERN O=C(Cc1ccc(Cl)s1)N1CCC[C@@H]1c1ccco1 ZINC000193647981 330146121 /nfs/dbraw/zinc/14/61/21/330146121.db2.gz HRZDRKTVSUXQDS-LLVKDONJSA-N 0 0 295.791 3.901 10 0 CHAERN Cc1cc(CN[C@@H](C)c2ccc3ccccc3c2)no1 ZINC000044296223 330327346 /nfs/dbraw/zinc/32/73/46/330327346.db2.gz XUKPGETXSONIOT-ZDUSSCGKSA-N 0 0 266.344 3.987 10 0 CHAERN CC(C)c1ccc([C@@H](C)NCC(=O)OC(C)(C)C)cc1 ZINC000105888367 330330558 /nfs/dbraw/zinc/33/05/58/330330558.db2.gz KLXBLGBIYYBEOP-CYBMUJFWSA-N 0 0 277.408 3.802 10 0 CHAERN CC(C)N(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000086371359 330369371 /nfs/dbraw/zinc/36/93/71/330369371.db2.gz OBZMALIOVJMFPE-SECBINFHSA-N 0 0 272.751 3.590 10 0 CHAERN CCC[C@@](C)(O)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119813672 330380055 /nfs/dbraw/zinc/38/00/55/330380055.db2.gz AMSDOYYBBOCVOV-SCLBCKFNSA-N 0 0 285.387 3.568 10 0 CHAERN Cc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1 ZINC000405637582 330382055 /nfs/dbraw/zinc/38/20/55/330382055.db2.gz MBVUMVIEISYSKI-UHFFFAOYSA-N 0 0 291.391 3.873 10 0 CHAERN Cc1ccc2c(c1)C(=O)CC1(CCC(F)(F)CC1)O2 ZINC000536952916 330382610 /nfs/dbraw/zinc/38/26/10/330382610.db2.gz GLJPDYOMPXAXDN-UHFFFAOYSA-N 0 0 266.287 3.908 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089914773 330388816 /nfs/dbraw/zinc/38/88/16/330388816.db2.gz TWYWDMQJIKQXTH-ZDUSSCGKSA-N 0 0 284.403 3.735 10 0 CHAERN CCc1nnc(CS[C@H](C)c2cc(F)ccc2F)n1C ZINC000091029049 330397951 /nfs/dbraw/zinc/39/79/51/330397951.db2.gz DADCWCYHXVYXDK-SECBINFHSA-N 0 0 297.374 3.650 10 0 CHAERN O=C1CCCN1CC[C@H]1CN(C2CCCC2)c2ccccc21 ZINC000093199821 330418213 /nfs/dbraw/zinc/41/82/13/330418213.db2.gz JISWHUPWKOQDNW-HNNXBMFYSA-N 0 0 298.430 3.545 10 0 CHAERN COC(=O)c1ccc(N[C@H](C)c2ccccc2C)nc1C ZINC000148620696 330566811 /nfs/dbraw/zinc/56/68/11/330566811.db2.gz NFLGEJQOFRBBHS-GFCCVEGCSA-N 0 0 284.359 3.658 10 0 CHAERN CCn1ccnc1COc1cc(C)ccc1Br ZINC000451073025 331014973 /nfs/dbraw/zinc/01/49/73/331014973.db2.gz QCRVXCIVGPEJMP-UHFFFAOYSA-N 0 0 295.180 3.553 10 0 CHAERN CCC[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)OC(C)(C)C ZINC000194960113 331082634 /nfs/dbraw/zinc/08/26/34/331082634.db2.gz GAEMIWFOLQKSTF-WFASDCNBSA-N 0 0 293.407 3.553 10 0 CHAERN CCC[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)OC(C)(C)C ZINC000194960125 331082645 /nfs/dbraw/zinc/08/26/45/331082645.db2.gz GAEMIWFOLQKSTF-SWLSCSKDSA-N 0 0 293.407 3.553 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCOC[C@H]1C ZINC000195077485 331137615 /nfs/dbraw/zinc/13/76/15/331137615.db2.gz KQTRQEXITYVMDI-ZYHUDNBSSA-N 0 0 273.298 3.851 10 0 CHAERN COc1cc(OC)c(N[C@@H](C)c2cncs2)cc1Cl ZINC000164911404 331305445 /nfs/dbraw/zinc/30/54/45/331305445.db2.gz PLDNGKGTWNEFPY-QMMMGPOBSA-N 0 0 298.795 3.987 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCC(C)(C)C)o1 ZINC000174302641 332995551 /nfs/dbraw/zinc/99/55/51/332995551.db2.gz TULTTYPHUJKWAJ-CYBMUJFWSA-N 0 0 278.396 3.871 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CC=CCC2)o1 ZINC000175087735 333014310 /nfs/dbraw/zinc/01/43/10/333014310.db2.gz NUIBXJAUGDEDJJ-GJZGRUSLSA-N 0 0 288.391 3.933 10 0 CHAERN CC(C)[C@H](C)NC(=O)CCc1ccc(Br)cc1 ZINC000175986993 333038404 /nfs/dbraw/zinc/03/84/04/333038404.db2.gz LAESVNPWWTVEIC-NSHDSACASA-N 0 0 298.224 3.542 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)O1 ZINC000178117583 333067960 /nfs/dbraw/zinc/06/79/60/333067960.db2.gz GSYZSTDNAJOARZ-COXVUDFISA-N 0 0 287.403 3.602 10 0 CHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000178497097 333074011 /nfs/dbraw/zinc/07/40/11/333074011.db2.gz ZRDMTBWRZOBTLJ-NOOOWODRSA-N 0 0 292.345 3.547 10 0 CHAERN CCCC(CCC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178703262 333077048 /nfs/dbraw/zinc/07/70/48/333077048.db2.gz HKMPPKYFPHBSNH-HNNXBMFYSA-N 0 0 275.392 3.843 10 0 CHAERN CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000178962221 333078649 /nfs/dbraw/zinc/07/86/49/333078649.db2.gz RNIIOTWRPCNZFD-KGLIPLIRSA-N 0 0 277.408 3.802 10 0 CHAERN CCCN(CCc1cccs1)C(=O)N[C@H](C)C(C)C ZINC000184083319 333124899 /nfs/dbraw/zinc/12/48/99/333124899.db2.gz HXSVRBYJVUVLDL-CYBMUJFWSA-N 0 0 282.453 3.757 10 0 CHAERN CCCOc1cccc(CN[C@@H](C)c2ncc(C)o2)c1 ZINC000220910479 333170642 /nfs/dbraw/zinc/17/06/42/333170642.db2.gz DMPPOXFFWAQBEL-ZDUSSCGKSA-N 0 0 274.364 3.623 10 0 CHAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000220951905 333171052 /nfs/dbraw/zinc/17/10/52/333171052.db2.gz VWIJJMAQHLDYTD-RYUDHWBXSA-N 0 0 262.328 3.842 10 0 CHAERN CCCCOc1cccc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000189934965 333200758 /nfs/dbraw/zinc/20/07/58/333200758.db2.gz BJABXAFXLWYHCQ-XJKSGUPXSA-N 0 0 291.391 3.619 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000190111628 333203271 /nfs/dbraw/zinc/20/32/71/333203271.db2.gz AABPAMYVMFVYOX-CZUORRHYSA-N 0 0 275.392 3.588 10 0 CHAERN CC(C)=CCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000190597598 333208849 /nfs/dbraw/zinc/20/88/49/333208849.db2.gz PGNUEBQXYMONAU-CQSZACIVSA-N 0 0 276.380 3.791 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000190605542 333209082 /nfs/dbraw/zinc/20/90/82/333209082.db2.gz FVWAJTHHPQWAIN-QWRGUYRKSA-N 0 0 253.773 3.953 10 0 CHAERN CC[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191916351 333227121 /nfs/dbraw/zinc/22/71/21/333227121.db2.gz FUYPPJMSFLZYEH-FVQBIDKESA-N 0 0 287.403 3.560 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(c1ccccc1)C1CCCC1 ZINC000191899316 333227309 /nfs/dbraw/zinc/22/73/09/333227309.db2.gz YNYNDXZDBDALSR-YOEHRIQHSA-N 0 0 287.403 3.777 10 0 CHAERN Cc1cc([C@@]2(O)CCC[C@@H]2C)ccc1Br ZINC000521400582 333250024 /nfs/dbraw/zinc/25/00/24/333250024.db2.gz BCVQXNFDCZYMTE-GXFFZTMASA-N 0 0 269.182 3.765 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000229734018 333308797 /nfs/dbraw/zinc/30/87/97/333308797.db2.gz ARSNLBSSNZOQNH-GXSJLCMTSA-N 0 0 256.802 3.821 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000230054912 333312453 /nfs/dbraw/zinc/31/24/53/333312453.db2.gz WHUDALCAJAMQOI-MFKMUULPSA-N 0 0 296.208 3.502 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000230041704 333312571 /nfs/dbraw/zinc/31/25/71/333312571.db2.gz DPQWLCJMDRQSNY-JOYOIKCWSA-N 0 0 282.181 3.824 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000230056023 333312601 /nfs/dbraw/zinc/31/26/01/333312601.db2.gz OLXIVZXIDPZBBB-ZWNOBZJWSA-N 0 0 296.208 3.502 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000230056016 333312717 /nfs/dbraw/zinc/31/27/17/333312717.db2.gz OLXIVZXIDPZBBB-MFKMUULPSA-N 0 0 296.208 3.502 10 0 CHAERN Cc1nnc(N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000230188718 333315586 /nfs/dbraw/zinc/31/55/86/333315586.db2.gz GETXKSGEMAKZJD-NSHDSACASA-N 0 0 275.377 3.561 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(C(F)F)cc2)o1 ZINC000231221230 333324373 /nfs/dbraw/zinc/32/43/73/333324373.db2.gz HLZIMPSQKWUYOV-JTQLQIEISA-N 0 0 266.291 3.771 10 0 CHAERN CNC(=O)c1cccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000037107514 333483061 /nfs/dbraw/zinc/48/30/61/333483061.db2.gz OPLCZFJCRLPZOB-OCCSQVGLSA-N 0 0 288.435 3.981 10 0 CHAERN C[C@@H](NC(=O)[C@H](C)SC1CCCC1)c1ccccc1 ZINC000066276156 333618919 /nfs/dbraw/zinc/61/89/19/333618919.db2.gz XEFKWWDQQGROHC-OLZOCXBDSA-N 0 0 277.433 3.928 10 0 CHAERN CCCC[C@@H](CC)Nc1cccc(Cn2cncn2)c1 ZINC000069377844 333759999 /nfs/dbraw/zinc/75/99/99/333759999.db2.gz SLLAQTVFGCOCRX-OAHLLOKOSA-N 0 0 272.396 3.707 10 0 CHAERN CCN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1F ZINC000070164935 333800400 /nfs/dbraw/zinc/80/04/00/333800400.db2.gz XJKBEQBGUHQVHQ-UHFFFAOYSA-N 0 0 282.318 3.974 10 0 CHAERN C[C@@H](SCc1nnc(C2CC2)n1C)c1ccccc1F ZINC000130667166 333866349 /nfs/dbraw/zinc/86/63/49/333866349.db2.gz JZGQHDKHOHPXRT-SNVBAGLBSA-N 0 0 291.395 3.826 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)c1ccccc1F ZINC000132687239 334000513 /nfs/dbraw/zinc/00/05/13/334000513.db2.gz CDQGCRJWOJTRQD-UHFFFAOYSA-N 0 0 287.334 3.751 10 0 CHAERN COc1ccc([C@@H](C)C(=O)NCC2(CC(C)C)CC2)cc1 ZINC000133866803 334065684 /nfs/dbraw/zinc/06/56/84/334065684.db2.gz CQBKVQYFBSIBQM-CQSZACIVSA-N 0 0 289.419 3.741 10 0 CHAERN Cc1nnc(N[C@H]2CCCCc3ccccc32)s1 ZINC000077214862 334098968 /nfs/dbraw/zinc/09/89/68/334098968.db2.gz VRBYXFASWBHOQY-ZDUSSCGKSA-N 0 0 259.378 3.726 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000078005466 334120479 /nfs/dbraw/zinc/12/04/79/334120479.db2.gz KCBQISJUAUZDRN-HIFRSBDPSA-N 0 0 272.392 3.586 10 0 CHAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000135315343 334125284 /nfs/dbraw/zinc/12/52/84/334125284.db2.gz AEAXLWOFFTUQRN-KRWDZBQOSA-N 0 0 283.346 3.942 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(F)cc1C ZINC000135317874 334125620 /nfs/dbraw/zinc/12/56/20/334125620.db2.gz TXSTXHRFLGPQCI-ZDUSSCGKSA-N 0 0 271.335 3.934 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1Br ZINC000135479584 334131348 /nfs/dbraw/zinc/13/13/48/334131348.db2.gz ABRBBBLRFHCCOU-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN CCC1(CNC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000078355351 334131851 /nfs/dbraw/zinc/13/18/51/334131851.db2.gz ICDGFWCSAHOSHT-ZDUSSCGKSA-N 0 0 260.381 3.545 10 0 CHAERN CCC(CC)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078366859 334132251 /nfs/dbraw/zinc/13/22/51/334132251.db2.gz SBIFFDYUMPDBDC-GXSJLCMTSA-N 0 0 280.334 3.595 10 0 CHAERN CC(C)OCCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000078420006 334133206 /nfs/dbraw/zinc/13/32/06/334133206.db2.gz PHUUESMTOBGUGZ-CQSZACIVSA-N 0 0 277.408 3.802 10 0 CHAERN C[C@@H](Nc1nc2ccccc2n1C)c1cccs1 ZINC000079044362 334146407 /nfs/dbraw/zinc/14/64/07/334146407.db2.gz ZSEPQQPTBDNGJL-SNVBAGLBSA-N 0 0 257.362 3.808 10 0 CHAERN C[C@H](COCc1ccccc1)Nc1ncnc2ccsc21 ZINC000342296033 335179229 /nfs/dbraw/zinc/17/92/29/335179229.db2.gz PXSGPNCSUFFAAQ-GFCCVEGCSA-N 0 0 299.399 3.709 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000080491584 334172084 /nfs/dbraw/zinc/17/20/84/334172084.db2.gz AOMRWBYNQOVECR-WCQYABFASA-N 0 0 258.365 3.562 10 0 CHAERN CC[C@H](C)[C@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245480795 334196284 /nfs/dbraw/zinc/19/62/84/334196284.db2.gz XOPXTVIOUZZPTI-AVGNSLFASA-N 0 0 295.452 3.814 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1F ZINC000245880059 334222798 /nfs/dbraw/zinc/22/27/98/334222798.db2.gz TUHDCUXJSCWJEW-YYWXWVFPSA-N 0 0 275.367 3.748 10 0 CHAERN CC1(C)[C@H](Nc2cccc(-c3cnco3)c2)[C@@H]2CCCO[C@H]21 ZINC000247069476 334274846 /nfs/dbraw/zinc/27/48/46/334274846.db2.gz YHNVHPHYEVNZHU-USXIJHARSA-N 0 0 298.386 3.957 10 0 CHAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000248479516 334303779 /nfs/dbraw/zinc/30/37/79/334303779.db2.gz QLPYXUWGKZVKAZ-QOFRNUMZSA-N 0 0 293.357 3.715 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2cccc(-c3nncn3C)c2)[C@H]1C ZINC000252179318 334376156 /nfs/dbraw/zinc/37/61/56/334376156.db2.gz PRMJAZXUABKVLJ-WWGRRREGSA-N 0 0 284.407 3.719 10 0 CHAERN CCCN(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000153198170 334569708 /nfs/dbraw/zinc/56/97/08/334569708.db2.gz VJGYDEJUDJKXCB-WFASDCNBSA-N 0 0 260.381 3.676 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)Nc2nccs2)c2ccccc21 ZINC000154170407 334689706 /nfs/dbraw/zinc/68/97/06/334689706.db2.gz ZBMBIKJAWRJPKZ-GXFFZTMASA-N 0 0 287.388 3.903 10 0 CHAERN Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)no1 ZINC000154253998 334691433 /nfs/dbraw/zinc/69/14/33/334691433.db2.gz NJEHAWADVFJNEJ-IINYFYTJSA-N 0 0 285.347 3.743 10 0 CHAERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000155473704 334722064 /nfs/dbraw/zinc/72/20/64/334722064.db2.gz JFNMONAICJICHP-CZUORRHYSA-N 0 0 291.435 3.568 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2cccc(O)c2F)CC(C)(C)C1 ZINC000182950049 335852399 /nfs/dbraw/zinc/85/23/99/335852399.db2.gz MCLAVJFXFNDSFF-MNOVXSKESA-N 0 0 279.355 3.932 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)c2nccs2)CC(C)(C)C1 ZINC000183059587 335859535 /nfs/dbraw/zinc/85/95/35/335859535.db2.gz GMYHCIMAEMFGMZ-WDEREUQCSA-N 0 0 266.410 3.568 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000384528372 336125065 /nfs/dbraw/zinc/12/50/65/336125065.db2.gz CFSVMTGBIXUJRJ-VDDIYKPWSA-N 0 0 259.271 3.683 10 0 CHAERN Cc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1Cl ZINC000384979122 336135344 /nfs/dbraw/zinc/13/53/44/336135344.db2.gz QBNGZVVOWDGNEH-GDLCADMTSA-N 0 0 265.784 3.874 10 0 CHAERN CCCC1CCN(c2nc(CC)c(C=O)s2)CC1 ZINC000054967437 519904353 /nfs/dbraw/zinc/90/43/53/519904353.db2.gz TUBMJVXTUIPCIH-UHFFFAOYSA-N 0 0 266.410 3.535 10 0 CHAERN CCNc1ccc(CO[C@@H]2CCCC[C@@H]2CC)cn1 ZINC000050831466 520303713 /nfs/dbraw/zinc/30/37/13/520303713.db2.gz JJRBPWPLOYGWMB-LSDHHAIUSA-N 0 0 262.397 3.999 10 0 CHAERN CCCOc1ccc(-c2nc(C)cc(Cl)n2)cc1 ZINC000052919490 520315623 /nfs/dbraw/zinc/31/56/23/520315623.db2.gz VVISXIBLYKSUOB-UHFFFAOYSA-N 0 0 262.740 3.894 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccccc1SC(F)(F)F ZINC000103380229 522178388 /nfs/dbraw/zinc/17/83/88/522178388.db2.gz WEIUTFSWRKDCHQ-MRVPVSSYSA-N 0 0 293.310 3.520 10 0 CHAERN CC(C)C[C@@H](N)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062790701 519226189 /nfs/dbraw/zinc/22/61/89/519226189.db2.gz FMFTUCVMFSDEET-LLVKDONJSA-N 0 0 283.734 3.575 10 0 CHAERN CC(C)OCCOCc1ccc(F)cc1Br ZINC000049601053 519768626 /nfs/dbraw/zinc/76/86/26/519768626.db2.gz JMFDMUUMNGVOHE-UHFFFAOYSA-N 0 0 291.160 3.530 10 0 CHAERN CC(C)C[C@@H](C)N(C)c1nc2c(s1)C(=O)CCC2 ZINC000054863544 519772502 /nfs/dbraw/zinc/77/25/02/519772502.db2.gz KWSBBHMMDSWZDH-SNVBAGLBSA-N 0 0 266.410 3.533 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105075784 519791919 /nfs/dbraw/zinc/79/19/19/519791919.db2.gz BSOAKXWGNUPTRK-CYBMUJFWSA-N 0 0 278.396 3.778 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccccn2)cc1 ZINC000126829137 519840412 /nfs/dbraw/zinc/84/04/12/519840412.db2.gz ATHVOZJQOIJDFQ-QZTJIDSGSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1ccn(-c2ccc(C(F)(F)F)cc2N)n1 ZINC000052884083 519848079 /nfs/dbraw/zinc/84/80/79/519848079.db2.gz QYLJBSCFQKQTFI-UHFFFAOYSA-N 0 0 269.270 3.597 10 0 CHAERN CCC1CCC(O)(Cc2cc(C)ccc2OC)CC1 ZINC000050705898 519857212 /nfs/dbraw/zinc/85/72/12/519857212.db2.gz DYBPBGYGUFVOQG-UHFFFAOYSA-N 0 0 262.393 3.877 10 0 CHAERN CCN(C(=O)[C@H]1CCc2ccccc2N1)C1CCCCC1 ZINC000055352518 520052602 /nfs/dbraw/zinc/05/26/02/520052602.db2.gz RNYCJZHAXDGNEL-QGZVFWFLSA-N 0 0 286.419 3.595 10 0 CHAERN CCCNc1cc(-c2ccccc2)nc(CSC)n1 ZINC000054497180 520127676 /nfs/dbraw/zinc/12/76/76/520127676.db2.gz OHHWONFLGVUYOZ-UHFFFAOYSA-N 0 0 273.405 3.829 10 0 CHAERN CCCCCN(C(=O)c1cc(C)ccc1N)C(C)C ZINC000053004503 520144854 /nfs/dbraw/zinc/14/48/54/520144854.db2.gz VBJMIQOHHRTNRI-UHFFFAOYSA-N 0 0 262.397 3.618 10 0 CHAERN CCCNc1ccc(Cl)cc1C(=O)N[C@H](C)C(C)C ZINC000050746185 520163053 /nfs/dbraw/zinc/16/30/53/520163053.db2.gz BAUGWLWODYISLG-LLVKDONJSA-N 0 0 282.815 3.936 10 0 CHAERN CCCNc1ccnc2c(OC(F)F)cccc12 ZINC000050843472 520186178 /nfs/dbraw/zinc/18/61/78/520186178.db2.gz IFKLWKWFJCGARA-UHFFFAOYSA-N 0 0 252.264 3.658 10 0 CHAERN CCCNc1ccnc2c(OC)ccc(Cl)c12 ZINC000050843934 520186440 /nfs/dbraw/zinc/18/64/40/520186440.db2.gz REBOXJHPEZKNQL-UHFFFAOYSA-N 0 0 250.729 3.719 10 0 CHAERN CCCCCOCc1nc2sc(C)c(C)c2c(N)n1 ZINC000050833031 520245028 /nfs/dbraw/zinc/24/50/28/520245028.db2.gz YEJQWHOVSYJMCH-UHFFFAOYSA-N 0 0 279.409 3.597 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2c(F)cccc12 ZINC000050869697 520265446 /nfs/dbraw/zinc/26/54/46/520265446.db2.gz WBYDXSPCNRAGBL-UHFFFAOYSA-N 0 0 258.218 3.825 10 0 CHAERN CCNc1ccc(Cl)cc1C(=O)N(C)[C@H](C)C(C)C ZINC000050754965 520311350 /nfs/dbraw/zinc/31/13/50/520311350.db2.gz QVZKVNZUWMCELN-LLVKDONJSA-N 0 0 282.815 3.888 10 0 CHAERN CCCCN(C(=O)c1cc(Cl)ccc1NC)C1CC1 ZINC000050776094 520356143 /nfs/dbraw/zinc/35/61/43/520356143.db2.gz BFQVKFVCBXWFLI-UHFFFAOYSA-N 0 0 280.799 3.786 10 0 CHAERN CCNc1ncccc1COc1ccc(F)cc1Cl ZINC000052733983 520378569 /nfs/dbraw/zinc/37/85/69/520378569.db2.gz XDHJYNRAOIWLRJ-UHFFFAOYSA-N 0 0 280.730 3.885 10 0 CHAERN CCC[C@@H](C)N(C)C(=O)c1cc(C)ccc1NCC ZINC000053001568 520643321 /nfs/dbraw/zinc/64/33/21/520643321.db2.gz PJTCFBXRJDFLRO-CYBMUJFWSA-N 0 0 262.397 3.687 10 0 CHAERN CCCCOCCNc1cc(C)c(Cl)cc1OC ZINC000049261826 520784514 /nfs/dbraw/zinc/78/45/14/520784514.db2.gz ZVCKFUFPZVBWNY-UHFFFAOYSA-N 0 0 271.788 3.886 10 0 CHAERN CCCCOCCNc1ccccc1C(F)(F)F ZINC000049261832 520785654 /nfs/dbraw/zinc/78/56/54/520785654.db2.gz XPNCURPTHARDLY-UHFFFAOYSA-N 0 0 261.287 3.934 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@@H+]2CCCC2(C)C)C1 ZINC000063074321 520829612 /nfs/dbraw/zinc/82/96/12/520829612.db2.gz GHWSKRHSNGXRDP-MGPQQGTHSA-N 0 0 267.413 3.530 10 0 CHAERN CC[NH+](CC)[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000057574459 520832865 /nfs/dbraw/zinc/83/28/65/520832865.db2.gz IHVCCAPWYJFRMY-HNNXBMFYSA-N 0 0 277.408 3.842 10 0 CHAERN CCC[C@H](CC)NC(=O)c1cc(Cl)ccc1NC ZINC000050771542 521080805 /nfs/dbraw/zinc/08/08/05/521080805.db2.gz AYMLPHOLDYLEJE-NSHDSACASA-N 0 0 268.788 3.690 10 0 CHAERN CCC(C)(C)OCc1cc2ccccc2nc1NC ZINC000050832362 521359896 /nfs/dbraw/zinc/35/98/96/521359896.db2.gz FXAJLMBXMCAFPK-UHFFFAOYSA-N 0 0 258.365 3.982 10 0 CHAERN CCCc1cc(N)c2cccc(OC(F)(F)F)c2n1 ZINC000050868694 521366722 /nfs/dbraw/zinc/36/67/22/521366722.db2.gz XYXRLGWDXVLHLG-UHFFFAOYSA-N 0 0 270.254 3.668 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000084201813 521393640 /nfs/dbraw/zinc/39/36/40/521393640.db2.gz PMIKSCOQIQESKW-DLBZAZTESA-N 0 0 286.419 3.647 10 0 CHAERN CC[N@H+](Cc1cccs1)[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755119 521410245 /nfs/dbraw/zinc/41/02/45/521410245.db2.gz NTVOTSMKLWYWTI-KBPBESRZSA-N 0 0 281.421 3.604 10 0 CHAERN CCN(c1nc(C)c([C@@H](C)O)s1)c1ccc(F)cc1 ZINC000054927719 521505579 /nfs/dbraw/zinc/50/55/79/521505579.db2.gz BJBDNGHBTPPTJH-SNVBAGLBSA-N 0 0 280.368 3.802 10 0 CHAERN CCC(CC)N(C)c1ccc(C(N)=S)c(Cl)c1 ZINC000061849355 521542138 /nfs/dbraw/zinc/54/21/38/521542138.db2.gz HBNJBRAINNRLMV-UHFFFAOYSA-N 0 0 270.829 3.599 10 0 CHAERN CCC1(C)CC[NH+]([C@@H]2CCCCC[C@H]2C(=O)[O-])CC1 ZINC000062959248 521678202 /nfs/dbraw/zinc/67/82/02/521678202.db2.gz VZDNHXLFYKOMQA-ZIAGYGMSSA-N 0 0 267.413 3.532 10 0 CHAERN CCSc1ccccc1NCc1ccnc(C)n1 ZINC000054790732 521777557 /nfs/dbraw/zinc/77/75/57/521777557.db2.gz QLGCHPIEOIYULK-UHFFFAOYSA-N 0 0 259.378 3.509 10 0 CHAERN Cc1cnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000302830015 534590583 /nfs/dbraw/zinc/59/05/83/534590583.db2.gz KETMAISDLSZCCN-RKDXNWHRSA-N 0 0 264.316 3.985 10 0 CHAERN COC(=O)c1ccc(N)c(Oc2ccc(Cl)cc2)c1 ZINC000057574512 522075158 /nfs/dbraw/zinc/07/51/58/522075158.db2.gz RVXYFABWWPSULI-UHFFFAOYSA-N 0 0 277.707 3.501 10 0 CHAERN CC[C@@H](C)N(CC)c1ccc(Cl)cc1C(N)=S ZINC000052858144 522086854 /nfs/dbraw/zinc/08/68/54/522086854.db2.gz BDYPDXVATRMCRP-SECBINFHSA-N 0 0 270.829 3.599 10 0 CHAERN CCc1csc([C@@H]2CCCN(C(=O)CCC(C)C)C2)n1 ZINC000113202118 522113062 /nfs/dbraw/zinc/11/30/62/522113062.db2.gz HUWCPWTUXOMIIE-CYBMUJFWSA-N 0 0 294.464 3.848 10 0 CHAERN COC[C@@H](C)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000103372839 522168218 /nfs/dbraw/zinc/16/82/18/522168218.db2.gz UEGLDOPCJOBFER-NEPJUHHUSA-N 0 0 295.810 3.675 10 0 CHAERN CNc1cc(C(C)(C)C)nc(-c2ccc(C)cc2)n1 ZINC000050850398 522562470 /nfs/dbraw/zinc/56/24/70/522562470.db2.gz IAEHDFVDAJZYKG-UHFFFAOYSA-N 0 0 255.365 3.791 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(F)cc(F)cc12 ZINC000050870726 522565820 /nfs/dbraw/zinc/56/58/20/522565820.db2.gz BPUZCBKHHLXXHV-UHFFFAOYSA-N 0 0 262.181 3.574 10 0 CHAERN CC[C@H]1CCCCN1c1ccc(C(N)=S)cc1Cl ZINC000062795236 523030831 /nfs/dbraw/zinc/03/08/31/523030831.db2.gz CRAGQUQMOMALJL-NSHDSACASA-N 0 0 282.840 3.743 10 0 CHAERN CCc1sc([C@H](C)Nc2cc(C)ncn2)cc1C ZINC000157772389 523079809 /nfs/dbraw/zinc/07/98/09/523079809.db2.gz FUDDGDDIROMSDP-NSHDSACASA-N 0 0 261.394 3.890 10 0 CHAERN CN(Cc1ccc(Cl)cc1)Cc1nc(N)ccc1Cl ZINC000061638895 523226293 /nfs/dbraw/zinc/22/62/93/523226293.db2.gz NKPULZQKTLQYJU-UHFFFAOYSA-N 0 0 296.201 3.603 10 0 CHAERN COc1ccc(-c2noc(N)c2-c2cccs2)cc1 ZINC000052902089 523298671 /nfs/dbraw/zinc/29/86/71/523298671.db2.gz PLKQKARQDVAMGK-UHFFFAOYSA-N 0 0 272.329 3.661 10 0 CHAERN CN(c1c(F)cc(CO)cc1F)C1CCCCCC1 ZINC000062722013 523631761 /nfs/dbraw/zinc/63/17/61/523631761.db2.gz OFAQQSOWHMBWEI-UHFFFAOYSA-N 0 0 269.335 3.616 10 0 CHAERN COC(=O)[C@@H](N[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000047978992 523638066 /nfs/dbraw/zinc/63/80/66/523638066.db2.gz WHYUPSMCIKXVBQ-YOEHRIQHSA-N 0 0 283.371 3.560 10 0 CHAERN COc1ccc(C)cc1-c1cc(NC(C)(C)C)n[nH]1 ZINC000062669117 523798098 /nfs/dbraw/zinc/79/80/98/523798098.db2.gz KXRDQLSFARHYRQ-UHFFFAOYSA-N 0 0 259.353 3.604 10 0 CHAERN CCc1ccc(CN(C)c2ccc(C)c(N)c2)cc1 ZINC000061701356 523922261 /nfs/dbraw/zinc/92/22/61/523922261.db2.gz LIAQYVSMLBQJRT-UHFFFAOYSA-N 0 0 254.377 3.776 10 0 CHAERN COC(=O)[C@H](N[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000047978996 523930838 /nfs/dbraw/zinc/93/08/38/523930838.db2.gz WHYUPSMCIKXVBQ-WMLDXEAASA-N 0 0 283.371 3.560 10 0 CHAERN CCc1ccc([C@H](CC(=O)[O-])[NH+]2CCCCCC2)cc1 ZINC000057572004 524048018 /nfs/dbraw/zinc/04/80/18/524048018.db2.gz VFSQGFVTEYSZLS-INIZCTEOSA-N 0 0 275.392 3.641 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cccnc2)o1 ZINC000128316052 524053026 /nfs/dbraw/zinc/05/30/26/524053026.db2.gz OJQPXOYRBNHEPK-OAHLLOKOSA-N 0 0 284.359 3.604 10 0 CHAERN COc1cccc([C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785591 524105055 /nfs/dbraw/zinc/10/50/55/524105055.db2.gz MCUMZBSYOGUBLR-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755165 524132100 /nfs/dbraw/zinc/13/21/00/524132100.db2.gz JAGJVTYIHOMUBT-CBBWQLFWSA-N 0 0 267.413 3.530 10 0 CHAERN COc1ccc(Cl)cc1C[C@@H](C(C)=O)C(C)C ZINC000061687954 524213632 /nfs/dbraw/zinc/21/36/32/524213632.db2.gz XYQDRSHRQLKLJX-CYBMUJFWSA-N 0 0 254.757 3.752 10 0 CHAERN C[C@H]1CCC[C@](O)(Cc2c(F)cccc2Cl)C1 ZINC000049346170 524227498 /nfs/dbraw/zinc/22/74/98/524227498.db2.gz KUTKACQMRLSIKS-IINYFYTJSA-N 0 0 256.748 3.963 10 0 CHAERN COc1ccc(Cl)cc1[C@H]1CCCCC[C@H]1O ZINC000055230172 524253907 /nfs/dbraw/zinc/25/39/07/524253907.db2.gz WLCRKEMRITZGBG-DGCLKSJQSA-N 0 0 254.757 3.757 10 0 CHAERN Cc1cc(C)c(N)c(-c2nc3c(cccc3F)[nH]2)c1 ZINC000062825833 524276993 /nfs/dbraw/zinc/27/69/93/524276993.db2.gz SHSNTJIZUNHWRB-UHFFFAOYSA-N 0 0 255.296 3.568 10 0 CHAERN C[C@@H]1CCC[C@@H](Oc2ccc(C(N)=S)cc2Cl)C1 ZINC000062796440 524317894 /nfs/dbraw/zinc/31/78/94/524317894.db2.gz FTIXCVUJCKOAIY-MWLCHTKSSA-N 0 0 283.824 3.932 10 0 CHAERN C[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000162874631 524347573 /nfs/dbraw/zinc/34/75/73/524347573.db2.gz BWVNVEUYGUQRSY-YPMHNXCESA-N 0 0 285.347 3.501 10 0 CHAERN Cc1cccc(CSCc2cc(N)ccc2O)c1 ZINC000054965372 524461054 /nfs/dbraw/zinc/46/10/54/524461054.db2.gz ZNPCNUZSFJHDIX-UHFFFAOYSA-N 0 0 259.374 3.716 10 0 CHAERN COc1ccc(NC2=N[C@H](CC(C)C)CS2)c(C)c1 ZINC000061568531 524675362 /nfs/dbraw/zinc/67/53/62/524675362.db2.gz PIEOCKDBKRQLMO-GFCCVEGCSA-N 0 0 278.421 3.933 10 0 CHAERN COc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1Cl ZINC000087406416 524702153 /nfs/dbraw/zinc/70/21/53/524702153.db2.gz OGOMOOYNOMLNIA-VIFPVBQESA-N 0 0 279.771 3.564 10 0 CHAERN COc1ccc(N[C@@H](C)c2csc(C)n2)cc1C ZINC000049528478 524703317 /nfs/dbraw/zinc/70/33/17/524703317.db2.gz ICGZNRLQUPFVKY-JTQLQIEISA-N 0 0 262.378 3.942 10 0 CHAERN Cc1cccc(OCc2c(F)cccc2Cl)c1N ZINC000049345096 524765707 /nfs/dbraw/zinc/76/57/07/524765707.db2.gz OLEJOAAXAHQGEN-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2N)c1 ZINC000052980589 524799786 /nfs/dbraw/zinc/79/97/86/524799786.db2.gz UZLUBMQMPWIPRQ-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccc(F)c([C@H](O)c2cccc(Cl)c2)c1 ZINC000055201099 524834846 /nfs/dbraw/zinc/83/48/46/524834846.db2.gz SBLCJMASDYLKNB-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000125982840 524849961 /nfs/dbraw/zinc/84/99/61/524849961.db2.gz KVKHHXGMYJWSRN-CABZTGNLSA-N 0 0 286.297 3.711 10 0 CHAERN Cc1ccc(N(C)C(=O)[C@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000049374675 524881403 /nfs/dbraw/zinc/88/14/03/524881403.db2.gz HMUOIWJHWGGXEZ-KGLIPLIRSA-N 0 0 269.344 3.663 10 0 CHAERN Cc1ccc(N(C)Cc2ccc(Cl)s2)cc1N ZINC000061701550 524888373 /nfs/dbraw/zinc/88/83/73/524888373.db2.gz JQDQERRGWANIJL-UHFFFAOYSA-N 0 0 266.797 3.929 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000075515436 524962036 /nfs/dbraw/zinc/96/20/36/524962036.db2.gz NMXLESZEDVBSNQ-QUBYGPBYSA-N 0 0 283.158 3.613 10 0 CHAERN C[C@H]1Cc2cc(-c3ccc4c(c3)CCN4)ccc2O1 ZINC000052898464 524975303 /nfs/dbraw/zinc/97/53/03/524975303.db2.gz CPYICBHDCXKZBY-NSHDSACASA-N 0 0 251.329 3.645 10 0 CHAERN Cc1cc(F)ccc1[C@H](CO)Nc1cccc(Cl)c1 ZINC000050580707 525008314 /nfs/dbraw/zinc/00/83/14/525008314.db2.gz RWMPIABWXPMOJZ-HNNXBMFYSA-N 0 0 279.742 3.933 10 0 CHAERN Cc1cc(N)cc(-c2nc(CCC(C)C)no2)c1C ZINC000062349386 525035682 /nfs/dbraw/zinc/03/56/82/525035682.db2.gz AZSXSTPMIUFCJL-UHFFFAOYSA-N 0 0 259.353 3.524 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000083211009 525107300 /nfs/dbraw/zinc/10/73/00/525107300.db2.gz LMOVAKRHUNXFLD-IGCXYCKISA-N 0 0 295.386 3.517 10 0 CHAERN C[C@](O)(Cc1c(F)cccc1Cl)c1ccccc1 ZINC000049346229 525186061 /nfs/dbraw/zinc/18/60/61/525186061.db2.gz ZMBHJQNEMADTTF-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN C[C@](O)(c1ccc(Br)cc1)c1ccccc1F ZINC000052887859 525187345 /nfs/dbraw/zinc/18/73/45/525187345.db2.gz FUULKFKVAIWCRT-AWEZNQCLSA-N 0 0 295.151 3.844 10 0 CHAERN C[C@](O)(c1ccccc1Cl)c1cc(F)ccc1F ZINC000055242483 525187935 /nfs/dbraw/zinc/18/79/35/525187935.db2.gz JICIJTNPZVFUBQ-AWEZNQCLSA-N 0 0 268.690 3.874 10 0 CHAERN Cc1ccc(NC[C@@H]2CCCO2)cc1C(F)(F)F ZINC000052684749 525281550 /nfs/dbraw/zinc/28/15/50/525281550.db2.gz AJJLILWZBGOVFR-NSHDSACASA-N 0 0 259.271 3.605 10 0 CHAERN Cc1cc(N[C@@H](c2cccs2)C(C)C)nc(C)n1 ZINC000049558309 525295712 /nfs/dbraw/zinc/29/57/12/525295712.db2.gz YQFXBNFTXWAPCZ-CQSZACIVSA-N 0 0 261.394 3.964 10 0 CHAERN Cc1ccc(N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000049526198 525310138 /nfs/dbraw/zinc/31/01/38/525310138.db2.gz CLJGTABMQZRNGY-JTQLQIEISA-N 0 0 292.180 3.721 10 0 CHAERN Cc1ccc(Nc2ncc(N)cc2C)c(Br)c1 ZINC000052812396 525330396 /nfs/dbraw/zinc/33/03/96/525330396.db2.gz PFUJORJJPYDZFT-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)[O-] ZINC000049357322 525607797 /nfs/dbraw/zinc/60/77/97/525607797.db2.gz GVPCVAPMSYUHHZ-NTSWFWBYSA-N 0 0 296.581 3.771 10 0 CHAERN C[C@H](Nc1ncnc(Cl)c1N)c1ccc(Cl)s1 ZINC000062363375 525686148 /nfs/dbraw/zinc/68/61/48/525686148.db2.gz DZWSDDPGCZGYRY-YFKPBYRVSA-N 0 0 289.191 3.600 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=S)cc1)c1ccsc1 ZINC000061367620 525702882 /nfs/dbraw/zinc/70/28/82/525702882.db2.gz HPYNEMQOWPWMLC-SECBINFHSA-N 0 0 262.403 3.555 10 0 CHAERN Cc1ccc([C@@H](C)NCc2cccc(Br)n2)o1 ZINC000131049311 525734647 /nfs/dbraw/zinc/73/46/47/525734647.db2.gz RSBKINOEXXTBQH-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)o1 ZINC000127965388 525799894 /nfs/dbraw/zinc/79/98/94/525799894.db2.gz QROVTLJPEDIJJM-CABCVRRESA-N 0 0 273.376 3.998 10 0 CHAERN C[C@H](O)c1ccc(N(C)CC(C)(C)C)c(Cl)c1 ZINC000061696875 525856265 /nfs/dbraw/zinc/85/62/65/525856265.db2.gz LOQLMXASSLBLBG-JTQLQIEISA-N 0 0 255.789 3.876 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC000050565722 525870504 /nfs/dbraw/zinc/87/05/04/525870504.db2.gz LYPZWVZQAWVDED-QJPTWQEYSA-N 0 0 251.345 3.504 10 0 CHAERN CSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000150880361 526015632 /nfs/dbraw/zinc/01/56/32/526015632.db2.gz VRILQCFELLIMQI-LDYMZIIASA-N 0 0 285.796 3.568 10 0 CHAERN Cc1ccc([C@](C)(O)Cc2ccc(F)cc2F)cc1 ZINC000050885490 526048438 /nfs/dbraw/zinc/04/84/38/526048438.db2.gz NULVJCIKLDBPCA-MRXNPFEDSA-N 0 0 262.299 3.723 10 0 CHAERN CSc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1 ZINC000070160487 526052322 /nfs/dbraw/zinc/05/23/22/526052322.db2.gz SMZGYPUFCBSIIH-UHFFFAOYSA-N 0 0 288.159 3.693 10 0 CHAERN Cc1cc(Br)ccc1N[C@@H]1CCOC[C@H]1C ZINC000195112637 526173070 /nfs/dbraw/zinc/17/30/70/526173070.db2.gz LUPBOKJSTRRVSN-ZWNOBZJWSA-N 0 0 284.197 3.594 10 0 CHAERN C[C@H]1CCCCN1c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861461 526252436 /nfs/dbraw/zinc/25/24/36/526252436.db2.gz UKBALRSEMQELBO-JTQLQIEISA-N 0 0 278.421 3.677 10 0 CHAERN Fc1cc(Cl)ccc1CN[C@@H]1COc2ccccc21 ZINC000157436690 526302357 /nfs/dbraw/zinc/30/23/57/526302357.db2.gz IPTILOPDEFFZFM-CQSZACIVSA-N 0 0 277.726 3.702 10 0 CHAERN O[C@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242430 526319822 /nfs/dbraw/zinc/31/98/22/526319822.db2.gz HAXMFPLHAFQZOG-MRXNPFEDSA-N 0 0 260.283 3.537 10 0 CHAERN O=C(CC1=CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116038786 526337026 /nfs/dbraw/zinc/33/70/26/526337026.db2.gz WKWCGGPAPWLXNM-CQSZACIVSA-N 0 0 259.349 3.834 10 0 CHAERN S=C1N=NC(c2cccs2)N1CCc1ccsc1 ZINC000049184538 526389775 /nfs/dbraw/zinc/38/97/75/526389775.db2.gz LETFYKFCSPPHGG-UHFFFAOYSA-N 0 0 293.442 3.600 10 0 CHAERN Fc1cccc(Cl)c1Cc1n[nH]c(-c2cccs2)n1 ZINC000054700047 526391855 /nfs/dbraw/zinc/39/18/55/526391855.db2.gz DVLITHWCQFGKTJ-UHFFFAOYSA-N 0 0 293.754 3.917 10 0 CHAERN c1cc(OC2CCCC2)ccc1NCC1CCOCC1 ZINC000052177155 526434170 /nfs/dbraw/zinc/43/41/70/526434170.db2.gz IHOYLEVZBLQQSW-UHFFFAOYSA-N 0 0 275.392 3.847 10 0 CHAERN c1ccc(-c2ccc(NC3=NCCS3)cc2)cc1 ZINC000051040516 526450874 /nfs/dbraw/zinc/45/08/74/526450874.db2.gz KCTUIRKTVMJACM-UHFFFAOYSA-N 0 0 254.358 3.868 10 0 CHAERN O=C(c1ccc2ncccc2c1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291020612 526737249 /nfs/dbraw/zinc/73/72/49/526737249.db2.gz DHOGRLDEQJDYPG-QGZVFWFLSA-N 0 0 292.382 3.640 10 0 CHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cc[nH]c1 ZINC000129806403 526880824 /nfs/dbraw/zinc/88/08/24/526880824.db2.gz DQYNUZOOFIUWJN-OAHLLOKOSA-N 0 0 296.370 3.581 10 0 CHAERN Cc1nc(CN[C@H](c2cccs2)C(C)C)oc1C ZINC000049556117 526894814 /nfs/dbraw/zinc/89/48/14/526894814.db2.gz GTYJNXDJZURANM-AWEZNQCLSA-N 0 0 264.394 3.840 10 0 CHAERN CC(C)(C)n1cc(-c2nc(CC3(C)CCCC3)no2)cn1 ZINC000329662351 526908974 /nfs/dbraw/zinc/90/89/74/526908974.db2.gz JAFSKALJCCQGDO-UHFFFAOYSA-N 0 0 288.395 3.811 10 0 CHAERN Cc1nc(Cc2nc(-c3ccccc3N)cs2)cs1 ZINC000055296390 526929466 /nfs/dbraw/zinc/92/94/66/526929466.db2.gz YUQSPZZMLKXNNT-UHFFFAOYSA-N 0 0 287.413 3.748 10 0 CHAERN O=Cc1cc(F)c(Oc2cccc(F)c2F)c(F)c1 ZINC000062709277 527145576 /nfs/dbraw/zinc/14/55/76/527145576.db2.gz FTQWSMIPQOLKSG-UHFFFAOYSA-N 0 0 270.181 3.848 10 0 CHAERN O=C(Cc1cc(F)ccc1F)c1ccccc1F ZINC000062773964 527212489 /nfs/dbraw/zinc/21/24/89/527212489.db2.gz URYLZNISXAZBNO-UHFFFAOYSA-N 0 0 250.219 3.529 10 0 CHAERN Cc1ncc(Cn2c(=S)[nH]c3cc(C)ccc32)s1 ZINC000049534134 527287660 /nfs/dbraw/zinc/28/76/60/527287660.db2.gz GRPGFRDXJGUETG-UHFFFAOYSA-N 0 0 275.402 3.821 10 0 CHAERN Nc1ccc(-c2nc3cccc(Br)c3o2)cc1 ZINC000062559953 527465573 /nfs/dbraw/zinc/46/55/73/527465573.db2.gz TWXBLEFYDODONK-UHFFFAOYSA-N 0 0 289.132 3.840 10 0 CHAERN Nc1ccc(Cl)c(COc2cccc(Cl)c2)n1 ZINC000061640094 527485805 /nfs/dbraw/zinc/48/58/05/527485805.db2.gz BWQBARJJCAGUGY-UHFFFAOYSA-N 0 0 269.131 3.550 10 0 CHAERN Nc1ccc(F)cc1NCc1ccccc1Br ZINC000052121070 527489650 /nfs/dbraw/zinc/48/96/50/527489650.db2.gz ASAYGMPQRYUXOB-UHFFFAOYSA-N 0 0 295.155 3.783 10 0 CHAERN Nc1ccc2nc(Nc3cc(F)ccc3F)sc2c1 ZINC000063103338 527510490 /nfs/dbraw/zinc/51/04/90/527510490.db2.gz BTLNCHKIVZCGOZ-UHFFFAOYSA-N 0 0 277.299 3.900 10 0 CHAERN Nc1cccc(CNC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000052925756 527516677 /nfs/dbraw/zinc/51/66/77/527516677.db2.gz JAHMCCYTQWZKKS-UHFFFAOYSA-N 0 0 295.169 3.506 10 0 CHAERN Cc1nn(-c2ccc([C@@H](C)O)cc2Cl)c(C)c1C ZINC000061697231 527532528 /nfs/dbraw/zinc/53/25/28/527532528.db2.gz WFZFCDQSSQPZCA-LLVKDONJSA-N 0 0 264.756 3.504 10 0 CHAERN O=C(/C=C/c1ccco1)N1CC=C(c2cccs2)CC1 ZINC000117721806 527639726 /nfs/dbraw/zinc/63/97/26/527639726.db2.gz AHPOFXMTVSVYHL-AATRIKPKSA-N 0 0 285.368 3.670 10 0 CHAERN O[C@@H](c1cccc(F)c1)C1(c2ccccc2)CCC1 ZINC000062780886 527666497 /nfs/dbraw/zinc/66/64/97/527666497.db2.gz LCZHLSWGXHMWNJ-INIZCTEOSA-N 0 0 256.320 3.981 10 0 CHAERN O[C@@H](c1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000061703403 527666877 /nfs/dbraw/zinc/66/68/77/527666877.db2.gz YRCJWPQQFSTPON-GFCCVEGCSA-N 0 0 260.255 3.809 10 0 CHAERN CCC1CCC(Nc2ncccc2-c2nc(C)no2)CC1 ZINC000301378523 527860019 /nfs/dbraw/zinc/86/00/19/527860019.db2.gz SLKBMLBZGYIDQN-UHFFFAOYSA-N 0 0 286.379 3.821 10 0 CHAERN CCC[C@@]1(C)CCCN(c2ccc(SC)nn2)C1 ZINC000301415044 527933350 /nfs/dbraw/zinc/93/33/50/527933350.db2.gz BSJIEDQNGOJPDA-AWEZNQCLSA-N 0 0 265.426 3.605 10 0 CHAERN CC(C)OCc1ccc(CNc2nc(C(C)C)no2)cc1 ZINC000301357701 528034799 /nfs/dbraw/zinc/03/47/99/528034799.db2.gz YXYAOFAQRBSAQC-UHFFFAOYSA-N 0 0 289.379 3.730 10 0 CHAERN CCN(Cc1ccoc1)c1ccc(-c2ccc(F)cc2)nn1 ZINC000301205153 528864085 /nfs/dbraw/zinc/86/40/85/528864085.db2.gz YMNPQEFCCJSWLJ-UHFFFAOYSA-N 0 0 297.333 3.902 10 0 CHAERN CC1(C)CCC(=Cc2nc(-c3n[nH]c(C4CC4)n3)no2)CC1 ZINC000333067454 528892823 /nfs/dbraw/zinc/89/28/23/528892823.db2.gz FVLTWZZQRHCINP-UHFFFAOYSA-N 0 0 299.378 3.716 10 0 CHAERN CC1(C)CC=C(c2nc(-c3ccsn3)no2)CC1 ZINC000333733980 528893494 /nfs/dbraw/zinc/89/34/94/528893494.db2.gz UPDIYXQLPWXVOI-UHFFFAOYSA-N 0 0 261.350 3.787 10 0 CHAERN CC1(C)CCC(c2noc([C@@H]3CCCC(=O)N3)n2)CC1 ZINC000329590175 528909671 /nfs/dbraw/zinc/90/96/71/528909671.db2.gz NMLWCUKLUGTTCQ-NSHDSACASA-N 0 0 277.368 3.935 10 0 CHAERN CC(C)Cc1c(Cl)nc2c(C(C)C)cccn2c1=O ZINC000725245574 567908250 /nfs/dbraw/zinc/90/82/50/567908250.db2.gz WCHXLABNARWOOH-UHFFFAOYSA-N 0 0 278.783 3.670 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)Cl)C1 ZINC000725261535 567917361 /nfs/dbraw/zinc/91/73/61/567917361.db2.gz YWEHPQBWDHYEIX-SNVBAGLBSA-N 0 0 261.793 3.651 10 0 CHAERN Cc1c2cn([C@H]3CCCCO3)nc2ccc1Br ZINC000087493382 570254139 /nfs/dbraw/zinc/25/41/39/570254139.db2.gz VVLLLBXGRLBFHM-CYBMUJFWSA-N 0 0 295.180 3.806 10 0 CHAERN Brc1cccn2cc(-c3ccsc3)nc12 ZINC000228026680 570244771 /nfs/dbraw/zinc/24/47/71/570244771.db2.gz OSQLAVLLODPASJ-UHFFFAOYSA-N 0 0 279.162 3.825 10 0 CHAERN O=C1C[C@H](C(F)(F)F)Sc2ccc(Cl)cc21 ZINC000675059425 570365336 /nfs/dbraw/zinc/36/53/36/570365336.db2.gz IAFFWOSJPYKNLJ-SECBINFHSA-N 0 0 266.671 3.949 10 0 CHAERN CCCCN=[S@](=O)(c1cccc(N)c1)N(CC)CCC ZINC000675074648 570367438 /nfs/dbraw/zinc/36/74/38/570367438.db2.gz HCXHNLBPWJBMPG-HXUWFJFHSA-N 0 0 297.468 3.543 10 0 CHAERN CCOC(=O)[C@H](O)C1(F)CCCCCCCCCCC1 ZINC000675052968 566932593 /nfs/dbraw/zinc/93/25/93/566932593.db2.gz JOQQFXXFLHRXDS-AWEZNQCLSA-N 0 0 288.403 3.923 10 0 CHAERN C[C@@H]1C(=O)CC[C@H]1Sc1ccccc1Br ZINC000083000439 566962578 /nfs/dbraw/zinc/96/25/78/566962578.db2.gz JTMPGQGPBHAXQN-LDYMZIIASA-N 0 0 285.206 3.909 10 0 CHAERN N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC000135825466 567092791 /nfs/dbraw/zinc/09/27/91/567092791.db2.gz CMRVMNOQKHSGFC-SECBINFHSA-N 0 0 263.555 3.538 10 0 CHAERN Oc1cc2cccc(Br)c2nc1CC1CC1 ZINC000685962969 567210558 /nfs/dbraw/zinc/21/05/58/567210558.db2.gz CFBBTNMIRWUWMH-UHFFFAOYSA-N 0 0 278.149 3.655 10 0 CHAERN C[C@H](O)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000058826183 567218024 /nfs/dbraw/zinc/21/80/24/567218024.db2.gz RNBCEBFMAXRWLA-NSHDSACASA-N 0 0 253.773 3.630 10 0 CHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)cc2)c1 ZINC000003548025 567853125 /nfs/dbraw/zinc/85/31/25/567853125.db2.gz CVXSWWKHSYPUHU-IZZDOVSWSA-N 0 0 297.354 3.664 10 0 CHAERN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1 ZINC000071790899 567902033 /nfs/dbraw/zinc/90/20/33/567902033.db2.gz CSTZHQCHFWHXFV-CYBMUJFWSA-N 0 0 276.380 3.878 10 0 CHAERN O[C@@H]1CCc2c1nc(Cl)cc2-c1ccc(F)cc1 ZINC000082049710 567906814 /nfs/dbraw/zinc/90/68/14/567906814.db2.gz XCBXUHNNZASBNC-GFCCVEGCSA-N 0 0 263.699 3.521 10 0 CHAERN C[Si](C)(C)CCSC[C@@H]1COC2(CCCC2)O1 ZINC000725245445 567908158 /nfs/dbraw/zinc/90/81/58/567908158.db2.gz IUCKUVPONLRFDI-LBPRGKRZSA-N 0 0 274.502 3.744 10 0 CHAERN Cc1cc2nc(CC(C)(C)C)nn2c(Cl)c1C ZINC000725246881 567908442 /nfs/dbraw/zinc/90/84/42/567908442.db2.gz ZTBRWQIXYMZEAF-UHFFFAOYSA-N 0 0 251.761 3.588 10 0 CHAERN Cc1cccc2c1NC[C@@H](C)[C@@H]2CC(=O)OC(C)(C)C ZINC000725253705 567911413 /nfs/dbraw/zinc/91/14/13/567911413.db2.gz FWQFCTTXQBGXJE-OCCSQVGLSA-N 0 0 275.392 3.872 10 0 CHAERN CCn1cnc2cc(C(F)(F)F)c(Br)cc21 ZINC000725253898 567911570 /nfs/dbraw/zinc/91/15/70/567911570.db2.gz PWJYPXREBQRQNH-UHFFFAOYSA-N 0 0 293.086 3.838 10 0 CHAERN CCC(C)(C)[C@H]1CCC(=O)N[C@@H](C(F)(F)F)CC1 ZINC000725256007 567915297 /nfs/dbraw/zinc/91/52/97/567915297.db2.gz OUJPARISMVELPS-NXEZZACHSA-N 0 0 265.319 3.660 10 0 CHAERN C[C@@H]1[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]2[C@H]1c1ccccc1 ZINC000725262412 567922754 /nfs/dbraw/zinc/92/27/54/567922754.db2.gz MBZQOSXXZZQCON-ZWQIFLOQSA-N 0 0 291.394 3.695 10 0 CHAERN CC1CC(C2N=NC(=S)N2C2CCCCC2)C1 ZINC000725265528 567923620 /nfs/dbraw/zinc/92/36/20/567923620.db2.gz JXDFDHAYABDPQZ-UHFFFAOYSA-N 0 0 251.399 3.586 10 0 CHAERN CC[C@H](C)[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@H]1O ZINC000725267983 567924117 /nfs/dbraw/zinc/92/41/17/567924117.db2.gz DNBVSSKVKJQHAL-XZJROXQQSA-N 0 0 261.409 3.728 10 0 CHAERN CC[C@@H](C)c1nc2cc(Br)ccc2cc1NN ZINC000725268314 567924164 /nfs/dbraw/zinc/92/41/64/567924164.db2.gz MFARSBAPDOSCJM-MRVPVSSYSA-N 0 0 294.196 3.796 10 0 CHAERN NNc1cc2ccc(Cl)cc2nc1C1CCCC1 ZINC000725268285 567924184 /nfs/dbraw/zinc/92/41/84/567924184.db2.gz LDXYMPFSUVUYCI-UHFFFAOYSA-N 0 0 261.756 3.831 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2ccc(C=O)s2)n1 ZINC000725270213 567924526 /nfs/dbraw/zinc/92/45/26/567924526.db2.gz IVCBRMAZGZBHOW-UHFFFAOYSA-N 0 0 270.304 3.943 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(C(C)=O)cc2)n1 ZINC000725270726 567924568 /nfs/dbraw/zinc/92/45/68/567924568.db2.gz RSXPYISFUPTJOB-UHFFFAOYSA-N 0 0 264.275 3.710 10 0 CHAERN C[C@@H]1CCc2nc(-c3ccc(Br)s3)cn2C1 ZINC000258140402 567931030 /nfs/dbraw/zinc/93/10/30/567931030.db2.gz DCSILTLXRMZPJQ-MRVPVSSYSA-N 0 0 297.221 3.956 10 0 CHAERN Cc1cc(Br)c2nc(-c3ccco3)cn2c1 ZINC000409436579 567956097 /nfs/dbraw/zinc/95/60/97/567956097.db2.gz KOKQLFCHVYKCST-UHFFFAOYSA-N 0 0 277.121 3.665 10 0 CHAERN CC[C@@H](C)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243320 570255235 /nfs/dbraw/zinc/25/52/35/570255235.db2.gz WYSWPRLXRLXZOO-ZCFIWIBFSA-N 0 0 277.677 3.915 10 0 CHAERN CC[C@@H](C)c1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248191 570256158 /nfs/dbraw/zinc/25/61/58/570256158.db2.gz NILMRWVQVKIBOE-SSDOTTSWSA-N 0 0 282.185 3.622 10 0 CHAERN COc1cc(C)ccc1CCCc1ccc(O)cc1O ZINC000085224821 570262351 /nfs/dbraw/zinc/26/23/51/570262351.db2.gz CHGZDPJVYBVPEU-UHFFFAOYSA-N 0 0 272.344 3.590 10 0 CHAERN CCOC(=O)c1cc(-c2ccc(Cl)cc2)nnc1Cl ZINC000038780967 570310525 /nfs/dbraw/zinc/31/05/25/570310525.db2.gz WPXPZDHLXDKSKS-UHFFFAOYSA-N 0 0 297.141 3.627 10 0 CHAERN Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 ZINC000000001995 570319331 /nfs/dbraw/zinc/31/93/31/570319331.db2.gz JTIGKVIOEQASGT-UHFFFAOYSA-N 0 0 278.355 3.953 10 0 world CHAERN Cc1c(Br)cccc1NCC(F)(F)F ZINC000232240210 570335496 /nfs/dbraw/zinc/33/54/96/570335496.db2.gz RHHFHCLGIQTAPX-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN Clc1ccc(-c2cnc(Br)cn2)cc1 ZINC000669382941 570352874 /nfs/dbraw/zinc/35/28/74/570352874.db2.gz NXQQPLZSWZFIMB-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@H]2C(=O)C3(CCCC3)[C@@H]21 ZINC000669384655 570352910 /nfs/dbraw/zinc/35/29/10/570352910.db2.gz ZIBVGWDPPSLZNT-CHWSQXEVSA-N 0 0 293.407 3.535 10 0 CHAERN Cn1ncc(N)c1-c1c(Cl)cc(Cl)cc1Cl ZINC000675070948 570366690 /nfs/dbraw/zinc/36/66/90/570366690.db2.gz UUMZHNXGHLEQCB-UHFFFAOYSA-N 0 0 276.554 3.630 10 0 CHAERN CCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1F ZINC000685960073 570406894 /nfs/dbraw/zinc/40/68/94/570406894.db2.gz YQZHJJOPOXBMNV-UHFFFAOYSA-N 0 0 277.941 3.658 10 0 CHAERN CC[C@@H]1[C@H](C)CNc2c(Br)c(C(C)C)nn21 ZINC000233930393 570411689 /nfs/dbraw/zinc/41/16/89/570411689.db2.gz PNARRIZHJRWUIF-RKDXNWHRSA-N 0 0 286.217 3.782 10 0 CHAERN C=CCS[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000389382248 570413248 /nfs/dbraw/zinc/41/32/48/570413248.db2.gz QVCPYNLCBRHYCZ-VIFPVBQESA-N 0 0 285.206 3.940 10 0 CHAERN C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000689152669 976233637 /nfs/dbraw/zinc/23/36/37/976233637.db2.gz GGHHUWJLYVUJBG-VIFPVBQESA-N 0 0 295.791 3.951 10 0 CHAERN CSC1(C[NH2+]Cc2csc(C(=O)[O-])c2)CCCCC1 ZINC000689153952 976233655 /nfs/dbraw/zinc/23/36/55/976233655.db2.gz JBRHCTNFJRBXQV-UHFFFAOYSA-N 0 0 299.461 3.602 10 0 CHAERN CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000701827675 977046957 /nfs/dbraw/zinc/04/69/57/977046957.db2.gz RMIWSAYDVNGKGJ-UONOGXRCSA-N 0 0 275.392 3.704 10 0 CHAERN O=C([O-])c1sccc1C[NH2+]CC(C1CCC1)C1CCC1 ZINC000704435682 977234992 /nfs/dbraw/zinc/23/49/92/977234992.db2.gz ZAKROZGQPQWRKS-UHFFFAOYSA-N 0 0 293.432 3.752 10 0 CHAERN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708555541 977435820 /nfs/dbraw/zinc/43/58/20/977435820.db2.gz MPDXZGARZYLTOF-RYUDHWBXSA-N 0 0 279.380 3.797 10 0 CHAERN C[C@@H]1c2sccc2CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000712351564 977581022 /nfs/dbraw/zinc/58/10/22/977581022.db2.gz LPLAJFPQEMANLI-SECBINFHSA-N 0 0 293.413 3.627 10 0 CHAERN C[C@H](SCC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC000105633189 1125436810 /nfs/dbraw/zinc/43/68/10/1125436810.db2.gz IBZUEDJMDRDZDA-JTQLQIEISA-N 0 0 269.385 3.535 10 0 CHAERN Cc1cc([C@@H]2CCCN(c3nc4cc(C)ccc4o3)C2)n[nH]1 ZINC000282193944 1118282850 /nfs/dbraw/zinc/28/28/50/1118282850.db2.gz HNGKETNBNARRRR-CYBMUJFWSA-N 0 0 296.374 3.552 10 0 CHAERN COc1cccc(F)c1[C@@H](C)NC/C(Cl)=C\Cl ZINC000588382748 1118480676 /nfs/dbraw/zinc/48/06/76/1118480676.db2.gz YVDYXWRZSIKIQP-GTUWVTDSSA-N 0 0 278.154 3.804 10 0 CHAERN COc1ccc(/C=C(/C)C(=O)N2CCCC2(C)C)cc1F ZINC000588445309 1118755934 /nfs/dbraw/zinc/75/59/34/1118755934.db2.gz MGLHFOYRDMCDJJ-BENRWUELSA-N 0 0 291.366 3.639 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCc1ccc(Cl)cc1 ZINC000588452306 1118798501 /nfs/dbraw/zinc/79/85/01/1118798501.db2.gz DKWBAZWLZLHDJN-HJWRWDBZSA-N 0 0 287.746 3.800 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC2(CCCCC2)CC1 ZINC000588452721 1118798506 /nfs/dbraw/zinc/79/85/06/1118798506.db2.gz DFNFEDUQGZFLMK-FPLPWBNLSA-N 0 0 298.430 3.976 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OC/C=C\c1ccccc1 ZINC000588455232 1118801388 /nfs/dbraw/zinc/80/13/88/1118801388.db2.gz KYVBFRKLMAGXGS-RCGVWGGBSA-N 0 0 279.339 3.660 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@H](C)Cc1ccccc1 ZINC000588456399 1118803824 /nfs/dbraw/zinc/80/38/24/1118803824.db2.gz FBQBIRKRAWYOLO-JQPIKURYSA-N 0 0 281.355 3.578 10 0 CHAERN O=C(/C=C\c1ccco1)NCc1ccc(C(F)F)cc1 ZINC000588469870 1118882628 /nfs/dbraw/zinc/88/26/28/1118882628.db2.gz JZWUERORSJKROV-FPLPWBNLSA-N 0 0 277.270 3.547 10 0 CHAERN C/C(=C/C(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1)C1CC1 ZINC000588485392 1118920062 /nfs/dbraw/zinc/92/00/62/1118920062.db2.gz CEKIXCNOHCICGT-DKYWFLSFSA-N 0 0 286.371 3.664 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)NC/C=C/c1ccccc1 ZINC000588497901 1119004503 /nfs/dbraw/zinc/00/45/03/1119004503.db2.gz BZDLOXMHWLVXIL-SOAFUOFCSA-N 0 0 257.377 3.808 10 0 CHAERN C[C@H]1CC(c2noc(-c3ccncc3)n2)C[C@H](C)C1 ZINC000408224398 1120947519 /nfs/dbraw/zinc/94/75/19/1120947519.db2.gz HEGHSENXXVMKGN-GHMZBOCLSA-N 0 0 257.337 3.671 10 0 CHAERN Cc1cc(F)ccc1[C@H]1NC(=O)c2ccc(Cl)cc2N1 ZINC000101588047 1122833131 /nfs/dbraw/zinc/83/31/31/1122833131.db2.gz FQKSUTLJBSYLEP-CQSZACIVSA-N 0 0 290.725 3.642 10 0 CHAERN CCOCCC(=O)OC1c2ccccc2-c2ccccc21 ZINC000102848444 1122951921 /nfs/dbraw/zinc/95/19/21/1122951921.db2.gz XIIHBPSBTRRSQX-UHFFFAOYSA-N 0 0 282.339 3.726 10 0 CHAERN CCOCCO[C@@H](C)C(=O)Oc1ccc([C@H](C)CC)cc1 ZINC000105755260 1123065854 /nfs/dbraw/zinc/06/58/54/1123065854.db2.gz QCHJIJFVDMTRHD-KGLIPLIRSA-N 0 0 294.391 3.547 10 0 CHAERN CCCCOc1ccccc1COC(=O)c1ncoc1C ZINC000105763152 1123070033 /nfs/dbraw/zinc/07/00/33/1123070033.db2.gz NHBYEUUTZIPYTJ-UHFFFAOYSA-N 0 0 289.331 3.519 10 0 CHAERN CCc1noc(C)c1NC(=O)c1cccn1C1CCCC1 ZINC000182678644 1123176254 /nfs/dbraw/zinc/17/62/54/1123176254.db2.gz XNKKNQDKKPZUNX-UHFFFAOYSA-N 0 0 287.363 3.714 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000335127709 1123305712 /nfs/dbraw/zinc/30/57/12/1123305712.db2.gz APJYZCVXXAOCNZ-IINYFYTJSA-N 0 0 263.768 3.618 10 0 CHAERN CC1(C)CCC(=Cc2nc(-c3ccon3)no2)CC1 ZINC000329701277 1123648216 /nfs/dbraw/zinc/64/82/16/1123648216.db2.gz HHWOXHCENCXZAN-UHFFFAOYSA-N 0 0 259.309 3.708 10 0 CHAERN C[C@H]1C[C@@H](c2nc(-c3ccon3)no2)CC(C)(C)C1 ZINC000329744111 1123652657 /nfs/dbraw/zinc/65/26/57/1123652657.db2.gz XPUOTPJMPQMLMU-VHSXEESVSA-N 0 0 261.325 3.654 10 0 CHAERN CCOCCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000102851828 1125346276 /nfs/dbraw/zinc/34/62/76/1125346276.db2.gz XUJHUHNFIFJEJJ-UHFFFAOYSA-N 0 0 289.419 3.775 10 0 CHAERN CC(C)(C(=O)N1Cc2ccccc2C1)c1ccccc1F ZINC000105975693 1125438772 /nfs/dbraw/zinc/43/87/72/1125438772.db2.gz WKFASXRLKJTGGX-UHFFFAOYSA-N 0 0 283.346 3.646 10 0 CHAERN CCCCOC(=O)CCSc1ccc(F)c(F)c1 ZINC000105844536 1130704461 /nfs/dbraw/zinc/70/44/61/1130704461.db2.gz AJSHTJSMEBYONS-UHFFFAOYSA-N 0 0 274.332 3.790 10 0 CHAERN CC[C@@H](C)OC(=O)CCSc1ccc(OC)cc1 ZINC000103667861 1131958823 /nfs/dbraw/zinc/95/88/23/1131958823.db2.gz BIUBTJOGDKQEQO-LLVKDONJSA-N 0 0 268.378 3.519 10 0 CHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H](F)C1 ZINC000095616801 185016419 /nfs/dbraw/zinc/01/64/19/185016419.db2.gz IUMVQRATLMCWIX-KBPBESRZSA-N 0 0 279.355 3.749 10 0 CHAERN COc1ccc2c(Cl)ncc(Br)c2c1 ZINC000095643060 185017251 /nfs/dbraw/zinc/01/72/51/185017251.db2.gz LJKJHHPPTUPMKA-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN C[C@@H](O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095704654 185018217 /nfs/dbraw/zinc/01/82/17/185018217.db2.gz FNWIBQBQHAEDEO-ZCFIWIBFSA-N 0 0 272.188 3.648 10 0 CHAERN CC(C)(C)c1c(Br)cncc1OC1CC1 ZINC000095724687 185021032 /nfs/dbraw/zinc/02/10/32/185021032.db2.gz ZMZPPPKFVNHKFH-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(=O)[C@H]1C[C@H](c2ccccc2)N(C(=O)OC(C)(C)C)C1 ZINC000095764188 185026984 /nfs/dbraw/zinc/02/69/84/185026984.db2.gz PMZNFGAQYHKKLO-LSDHHAIUSA-N 0 0 289.375 3.574 10 0 CHAERN CCOC(=O)c1cc2c(ccc3c(Cl)coc23)[nH]1 ZINC000095803870 185028672 /nfs/dbraw/zinc/02/86/72/185028672.db2.gz HEUGHJUEEMMQJR-UHFFFAOYSA-N 0 0 263.680 3.744 10 0 CHAERN Brc1cccc(CCc2nccs2)c1 ZINC000082574198 178114330 /nfs/dbraw/zinc/11/43/30/178114330.db2.gz NIZVSBNCKJATDJ-UHFFFAOYSA-N 0 0 268.179 3.691 10 0 CHAERN FC(F)(Br)c1nc2cc(Cl)ccc2o1 ZINC000095930827 185032961 /nfs/dbraw/zinc/03/29/61/185032961.db2.gz VDHYSKVNFXFLDI-UHFFFAOYSA-N 0 0 282.471 3.925 10 0 CHAERN CCOC(=O)c1cc(OC(C)=O)c2c(C)ccc(C)c2c1 ZINC000095937538 185034066 /nfs/dbraw/zinc/03/40/66/185034066.db2.gz HAGZDQDGQVMMDE-UHFFFAOYSA-N 0 0 286.327 3.559 10 0 CHAERN Nc1c(-c2ccc(Cl)cc2)nc2c(Cl)cccn12 ZINC000082695202 178191517 /nfs/dbraw/zinc/19/15/17/178191517.db2.gz ZSCNZBZAOPAIHM-UHFFFAOYSA-N 0 0 278.142 3.890 10 0 CHAERN Cc1cccc(C)c1NC(=O)c1ccc2nc(N)sc2c1 ZINC000082698340 178197949 /nfs/dbraw/zinc/19/79/49/178197949.db2.gz FERHVLMBFHHDHX-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN Nc1ccc(F)c2c1ccnc2NCc1ccccc1 ZINC000082765650 178279037 /nfs/dbraw/zinc/27/90/37/178279037.db2.gz IMMNDEYMFVGOTN-UHFFFAOYSA-N 0 0 267.307 3.568 10 0 CHAERN Cc1cc(Br)nc2c(Cl)cccc12 ZINC000082788568 178293426 /nfs/dbraw/zinc/29/34/26/178293426.db2.gz LVPIPBDSZZQCHQ-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC(C)(C)c1nn(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000082823627 178319081 /nfs/dbraw/zinc/31/90/81/178319081.db2.gz HQWLJZRHUOAHII-UHFFFAOYSA-N 0 0 282.387 3.748 10 0 CHAERN COC(=O)c1ncsc1-c1ccc(C(C)C)cc1 ZINC000083239312 178365832 /nfs/dbraw/zinc/36/58/32/178365832.db2.gz MAULOYSGGDLAEA-UHFFFAOYSA-N 0 0 261.346 3.720 10 0 CHAERN O=C(CCc1cccs1)c1ccc(Br)o1 ZINC000096919104 185130283 /nfs/dbraw/zinc/13/02/83/185130283.db2.gz DQVUMIRCNOCWIK-UHFFFAOYSA-N 0 0 285.162 3.919 10 0 CHAERN CCc1cnc([C@H](C)Nc2nc(CC(C)C)ns2)s1 ZINC000302301429 529664783 /nfs/dbraw/zinc/66/47/83/529664783.db2.gz PYHQFAFMBZXAKE-VIFPVBQESA-N 0 0 296.465 3.929 10 0 CHAERN Cc1cccc(-c2nc(-c3ccccc3N)cs2)n1 ZINC000083495469 178523942 /nfs/dbraw/zinc/52/39/42/178523942.db2.gz KMTUSGRKJCFBBS-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN CSc1nnc(SCc2cccc(F)c2)s1 ZINC000097569184 185628478 /nfs/dbraw/zinc/62/84/78/185628478.db2.gz BSCXHNHXPQZXMU-UHFFFAOYSA-N 0 0 272.395 3.691 10 0 CHAERN Cc1nc(Cl)c(C)c(N2CCCc3ccccc32)n1 ZINC000104212297 136525912 /nfs/dbraw/zinc/52/59/12/136525912.db2.gz APCSERNHROKERG-UHFFFAOYSA-N 0 0 273.767 3.831 10 0 CHAERN Cc1cccc(C)c1NC(=O)c1cnc(Cl)nc1Cl ZINC000085347968 179028801 /nfs/dbraw/zinc/02/88/01/179028801.db2.gz FHWYREZXHZHYGA-UHFFFAOYSA-N 0 0 296.157 3.653 10 0 CHAERN Cc1ccc(C(=O)c2cnc3cc(F)ccc3c2O)cc1 ZINC000085346374 179028869 /nfs/dbraw/zinc/02/88/69/179028869.db2.gz RJQJFLXKRYNIMS-UHFFFAOYSA-N 0 0 281.286 3.619 10 0 CHAERN CCn1c(N)c(-c2ccccc2Cl)nc1C(C)C ZINC000103501580 185845392 /nfs/dbraw/zinc/84/53/92/185845392.db2.gz OZIKFDRFPVMDBP-UHFFFAOYSA-N 0 0 263.772 3.929 10 0 CHAERN CC(C)(C)CCOC(=O)c1cc(Cl)ccc1N ZINC000103980172 185874602 /nfs/dbraw/zinc/87/46/02/185874602.db2.gz MFSDXBYSTIFVAA-UHFFFAOYSA-N 0 0 255.745 3.515 10 0 CHAERN CC(=O)[C@H](c1nc(-c2cccc(Cl)c2)no1)C(C)C ZINC000104073764 185894219 /nfs/dbraw/zinc/89/42/19/185894219.db2.gz ZWLRKBJUIBQCQK-GFCCVEGCSA-N 0 0 278.739 3.719 10 0 CHAERN CCOc1cc(Nc2ccc(F)cc2)c(N)cc1F ZINC000104126538 185899436 /nfs/dbraw/zinc/89/94/36/185899436.db2.gz VUIQUUZBNNDGKU-UHFFFAOYSA-N 0 0 264.275 3.689 10 0 CHAERN CCc1c(Cl)ncnc1SCc1ccccc1 ZINC000104215626 185933366 /nfs/dbraw/zinc/93/33/66/185933366.db2.gz ACHBEWIUHDDHKT-UHFFFAOYSA-N 0 0 264.781 3.985 10 0 CHAERN COc1cc(S[C@H]2CCC[C@@H](C)C2)ccc1N ZINC000104245224 185941971 /nfs/dbraw/zinc/94/19/71/185941971.db2.gz SAIRCVJOYIGCFE-MNOVXSKESA-N 0 0 251.395 3.948 10 0 CHAERN CCOc1cc(Nc2ccc(C)cc2F)ccc1N ZINC000104238502 185940022 /nfs/dbraw/zinc/94/00/22/185940022.db2.gz NNGJKWAZOMFDMH-UHFFFAOYSA-N 0 0 260.312 3.859 10 0 CHAERN Oc1cccc(OC[C@H]2CCCc3ccccc32)c1 ZINC000104313514 185963967 /nfs/dbraw/zinc/96/39/67/185963967.db2.gz NOTZKDPZHNWRQC-CQSZACIVSA-N 0 0 254.329 3.891 10 0 CHAERN Cc1cc2c(c(C)c1Br)[C@@H](C)[C@@H](C)O2 ZINC000090411876 179982500 /nfs/dbraw/zinc/98/25/00/179982500.db2.gz UKBMCTOSVDSVJB-IONNQARKSA-N 0 0 255.155 3.950 10 0 CHAERN Cc1ncsc1CN(C)c1cccc(Cl)c1C=O ZINC000104442062 186003134 /nfs/dbraw/zinc/00/31/34/186003134.db2.gz DMVKOYDQIZMUSY-UHFFFAOYSA-N 0 0 280.780 3.554 10 0 CHAERN O=c1ccc2ccc[nH]c-2c1-c1c(=O)ccc2ccc[nH]c1-2 ZINC000090714540 180028469 /nfs/dbraw/zinc/02/84/69/180028469.db2.gz UCDMRGUGNJSADT-UHFFFAOYSA-N 0 0 288.306 3.861 10 0 CHAERN CCN(C(=O)C[C@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000104436907 186001382 /nfs/dbraw/zinc/00/13/82/186001382.db2.gz RDGNVWFVYRJFBD-LBPRGKRZSA-N 0 0 262.397 3.694 10 0 CHAERN COc1ncc(-c2ccccc2)c2c(O)cccc12 ZINC000090555781 180003614 /nfs/dbraw/zinc/00/36/14/180003614.db2.gz RNUADAUTJSLYIJ-UHFFFAOYSA-N 0 0 251.285 3.616 10 0 CHAERN CCOc1cc(N[C@@H](C)C(CC)CC)ccc1N ZINC000104435903 186001506 /nfs/dbraw/zinc/00/15/06/186001506.db2.gz WKKVWRYKVNHEJL-NSHDSACASA-N 0 0 250.386 3.904 10 0 CHAERN O=C(Cc1cnc(-c2ccccc2)o1)c1ccccc1 ZINC000090624248 180015150 /nfs/dbraw/zinc/01/51/50/180015150.db2.gz SSLUMZQBIFGWJZ-UHFFFAOYSA-N 0 0 263.296 3.767 10 0 CHAERN CCC(CC)[C@@H](C)Nc1nnc(Cl)c(C)c1C ZINC000104448319 186005948 /nfs/dbraw/zinc/00/59/48/186005948.db2.gz YVGCKELDZUYLOW-SNVBAGLBSA-N 0 0 255.793 3.983 10 0 CHAERN Cc1ccc(NC=C2C(=O)Nc3ccccc32)c(C)c1 ZINC000104489442 186007982 /nfs/dbraw/zinc/00/79/82/186007982.db2.gz BSJXSTXYADDDMD-GXDHUFHOSA-N 0 0 264.328 3.709 10 0 CHAERN Nc1ccc(SC(F)(F)C(F)(F)F)c(F)c1 ZINC000091252555 180114942 /nfs/dbraw/zinc/11/49/42/180114942.db2.gz UAQVYSFLZDASRB-UHFFFAOYSA-N 0 0 261.190 3.655 10 0 CHAERN CC[C@H]1CCCC[C@H]1OC(=O)c1cccc(C)c1N ZINC000109893675 186278550 /nfs/dbraw/zinc/27/85/50/186278550.db2.gz KGDYLCCAUARDFW-GXTWGEPZSA-N 0 0 261.365 3.703 10 0 CHAERN CCCNc1cc(CCC)nc(-c2ccccc2)n1 ZINC000110448715 186297478 /nfs/dbraw/zinc/29/74/78/186297478.db2.gz VRMAHKGMAZKSMA-UHFFFAOYSA-N 0 0 255.365 3.918 10 0 CHAERN C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2N)CC1 ZINC000110921725 186331959 /nfs/dbraw/zinc/33/19/59/186331959.db2.gz IYNNXMGHTWPDMO-SNVBAGLBSA-N 0 0 272.314 3.914 10 0 CHAERN Cc1cc(C)c(-c2nc3c(nccc3C)[nH]2)c(C)c1 ZINC000111280254 186388924 /nfs/dbraw/zinc/38/89/24/186388924.db2.gz UMAIKCDPPGDREE-UHFFFAOYSA-N 0 0 251.333 3.859 10 0 CHAERN Clc1ccccc1-c1c(Cl)nc2ncnn2c1Cl ZINC000143584494 187911157 /nfs/dbraw/zinc/91/11/57/187911157.db2.gz SDJVJUUGSKORGC-UHFFFAOYSA-N 0 0 299.548 3.752 10 0 CHAERN CSc1cc(-c2cccs2)nc(SC)n1 ZINC000196282141 189683187 /nfs/dbraw/zinc/68/31/87/189683187.db2.gz DGRSJSSVHQFDBL-UHFFFAOYSA-N 0 0 254.405 3.649 10 0 CHAERN CC[C@H](SCc1nnc(C)n1CC)c1ccccc1 ZINC000156387750 261122151 /nfs/dbraw/zinc/12/21/51/261122151.db2.gz XQNOVCUWQYPSMY-AWEZNQCLSA-N 0 0 275.421 3.991 10 0 CHAERN CC(C)OC(=O)C(C)(C)CCOCc1ccccc1 ZINC000238854084 189901268 /nfs/dbraw/zinc/90/12/68/189901268.db2.gz MRQKCIQPYZPPFA-UHFFFAOYSA-N 0 0 264.365 3.571 10 0 CHAERN CCn1ccsc1=Nc1c(C)cccc1Cl ZINC000256075674 190005820 /nfs/dbraw/zinc/00/58/20/190005820.db2.gz WJWGTLGBMDSEGZ-UHFFFAOYSA-N 0 0 252.770 3.764 10 0 CHAERN CCOC(=O)c1sc2cccc(C(F)(F)F)c2c1N ZINC000261508140 190040171 /nfs/dbraw/zinc/04/01/71/190040171.db2.gz PYWQTYCAUMERHR-UHFFFAOYSA-N 0 0 289.278 3.679 10 0 CHAERN Cc1csc2c1ncnc2Sc1ccccc1N ZINC000000082145 169529964 /nfs/dbraw/zinc/52/99/64/169529964.db2.gz AUGVIUXAHGWUGQ-UHFFFAOYSA-N 0 0 273.386 3.733 10 0 CHAERN COc1cc(Cl)c(NC(C2CC2)C2CC2)cc1OC ZINC000037043885 184538850 /nfs/dbraw/zinc/53/88/50/184538850.db2.gz NCPNDAMXFFVZTK-UHFFFAOYSA-N 0 0 281.783 3.958 10 0 CHAERN COc1cc(SC)ccc1NC(=O)N[C@H](C)C(C)C ZINC000192665270 533105555 /nfs/dbraw/zinc/10/55/55/533105555.db2.gz HJZUEWNXPAYSRF-SNVBAGLBSA-N 0 0 282.409 3.583 10 0 CHAERN CCc1nc(C)cc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000312414455 260008065 /nfs/dbraw/zinc/00/80/65/260008065.db2.gz XMBDURWMMNQCML-GFCCVEGCSA-N 0 0 273.355 3.968 10 0 CHAERN Cn1c2ccccc2nc1C(=O)c1cccc2ccccc21 ZINC000004663091 256776562 /nfs/dbraw/zinc/77/65/62/256776562.db2.gz IRYFDSQLAQPRJR-UHFFFAOYSA-N 0 0 286.334 3.958 10 0 CHAERN Clc1nccnc1Oc1ccc(Br)cc1 ZINC000043536789 256869508 /nfs/dbraw/zinc/86/95/08/256869508.db2.gz HGRIWAZQPODGJM-UHFFFAOYSA-N 0 0 285.528 3.685 10 0 CHAERN C[C@@H](NC(=O)c1cc(C(C)(C)C)no1)c1cccs1 ZINC000080634958 177684127 /nfs/dbraw/zinc/68/41/27/177684127.db2.gz JTOILRFJVLRGBN-SECBINFHSA-N 0 0 278.377 3.525 10 0 CHAERN CSc1nnc(S[C@@H](C)C(=O)c2ccccc2)s1 ZINC000095082315 184938205 /nfs/dbraw/zinc/93/82/05/184938205.db2.gz UQZDCJDBKACUCI-QMMMGPOBSA-N 0 0 296.442 3.624 10 0 CHAERN Cc1[nH]nc(-c2nc(C(C)(C)C3=CCCCC3)no2)c1C ZINC000333203606 533655299 /nfs/dbraw/zinc/65/52/99/533655299.db2.gz OELANNDKNGEHCI-UHFFFAOYSA-N 0 0 286.379 3.855 10 0 CHAERN CCCn1ccc2cc(NC(=O)N[C@H]3C[C@@H]3C)ccc21 ZINC000171404869 335064857 /nfs/dbraw/zinc/06/48/57/335064857.db2.gz IPTGWOUZWLTIGV-FZMZJTMJSA-N 0 0 271.364 3.581 10 0 CHAERN CC[C@H](CC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000171464374 335066277 /nfs/dbraw/zinc/06/62/77/335066277.db2.gz SMNUHMXSASRTGK-PBHICJAKSA-N 0 0 295.382 3.820 10 0 CHAERN O=C1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000019806676 134710326 /nfs/dbraw/zinc/71/03/26/134710326.db2.gz PJPHKXVYTWIJSH-UHFFFAOYSA-N 0 0 277.673 3.528 10 0 CHAERN Cc1ccc(C(=O)CN2CCCc3cc(C)ccc32)cc1 ZINC000035036663 134787509 /nfs/dbraw/zinc/78/75/09/134787509.db2.gz JZACIPFBLIRJEY-UHFFFAOYSA-N 0 0 279.383 3.939 10 0 CHAERN Clc1cc2c(cc1Cl)N1CCCC[C@@H]1CN2 ZINC000087418505 135049726 /nfs/dbraw/zinc/04/97/26/135049726.db2.gz IADCTTZTDALOLS-MRVPVSSYSA-N 0 0 257.164 3.778 10 0 CHAERN CCCc1ccc([C@@H](C)Nc2cnn(CCOC)c2)cc1 ZINC000037090555 260067329 /nfs/dbraw/zinc/06/73/29/260067329.db2.gz GZDBWLNLJZGMAS-CQSZACIVSA-N 0 0 287.407 3.655 10 0 CHAERN CCCc1ccc([C@H](C)Nc2cnn(CCOC)c2)cc1 ZINC000037090557 260067333 /nfs/dbraw/zinc/06/73/33/260067333.db2.gz GZDBWLNLJZGMAS-AWEZNQCLSA-N 0 0 287.407 3.655 10 0 CHAERN Clc1cc(Cl)c(Br)c2ocnc21 ZINC000062540418 175669325 /nfs/dbraw/zinc/66/93/25/175669325.db2.gz XDODJGDUCDOYHO-UHFFFAOYSA-N 0 0 266.909 3.897 10 0 CHAERN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 ZINC000004377580 169963245 /nfs/dbraw/zinc/96/32/45/169963245.db2.gz BEAVIIGYZJAHFG-VBNZEHGJSA-N 0 0 299.414 3.910 10 0 CHAERN CCSc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000005107760 170066825 /nfs/dbraw/zinc/06/68/25/170066825.db2.gz ZIGYEGOIQYSRJK-UHFFFAOYSA-N 0 0 250.754 3.909 10 0 CHAERN CCCC[C@H](c1cccnc1)n1nnc2ccccc21 ZINC000005310110 170084820 /nfs/dbraw/zinc/08/48/20/170084820.db2.gz HYOAOIDXZBXELC-OAHLLOKOSA-N 0 0 266.348 3.606 10 0 CHAERN CCn1c2cc(N(C)C)ccc2cc(-c2ccccc2)c1=O ZINC000005317360 170085348 /nfs/dbraw/zinc/08/53/48/170085348.db2.gz ONUKVSFEFHPRKD-UHFFFAOYSA-N 0 0 292.382 3.754 10 0 CHAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](F)[C@@H]2O ZINC000005764472 170138603 /nfs/dbraw/zinc/13/86/03/170138603.db2.gz KDLLNMRYZGUVMA-ZMSHIADSSA-N 0 0 290.378 3.557 10 0 CHAERN CC[C@H](Oc1ccccc1)C(=O)n1cnc2ccccc21 ZINC000006048942 170172136 /nfs/dbraw/zinc/17/21/36/170172136.db2.gz FLBWHOCDWOHLOX-INIZCTEOSA-N 0 0 280.327 3.534 10 0 CHAERN CCSc1ccccc1C(=O)NC(C)(C)CC ZINC000006349052 170194610 /nfs/dbraw/zinc/19/46/10/170194610.db2.gz AREPIFACCKUZBG-UHFFFAOYSA-N 0 0 251.395 3.717 10 0 CHAERN Cc1cccc(-c2cc(=O)c3c(C)cc(C)[nH]c-3n2)c1 ZINC000006491121 170206089 /nfs/dbraw/zinc/20/60/89/170206089.db2.gz RXJJJRMOQDHINF-UHFFFAOYSA-N 0 0 264.328 3.515 10 0 in-vivo CHAERN Cc1ccc(C)c2c1SN(Cc1ccccc1)[S@]2=O ZINC000006522376 170209507 /nfs/dbraw/zinc/20/95/07/170209507.db2.gz WEKIIVJJVRKHPC-LJQANCHMSA-N 0 0 289.425 3.849 10 0 CHAERN O=C1c2ccccc2[C@@]23CC=CC[C@@]12c1ccccc1C3=O ZINC000006583052 170215897 /nfs/dbraw/zinc/21/58/97/170215897.db2.gz NLDWZYHDLKKMTL-WOJBJXKFSA-N 0 0 286.330 3.605 10 0 CHAERN CCCNc1nc(Cc2ccc(Cl)cc2)ns1 ZINC000006739780 170237028 /nfs/dbraw/zinc/23/70/28/170237028.db2.gz HCYRUDNBWDYAJE-UHFFFAOYSA-N 0 0 267.785 3.604 10 0 CHAERN COc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1 ZINC000006882962 170252940 /nfs/dbraw/zinc/25/29/40/170252940.db2.gz QGJLCOQCROOHNU-UHFFFAOYSA-N 0 0 284.359 3.640 10 0 CHAERN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OC ZINC000006933855 170256609 /nfs/dbraw/zinc/25/66/09/170256609.db2.gz NGUPYHWJMUFPRK-INIZCTEOSA-N 0 0 299.370 3.800 10 0 CHAERN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000007184895 170270287 /nfs/dbraw/zinc/27/02/87/170270287.db2.gz GIAFKCWVACEGIL-SECBINFHSA-N 0 0 295.169 3.879 10 0 CHAERN Cc1ccc(C)c(C(=O)Cn2cnc3ccccc32)c1 ZINC000007454041 170285742 /nfs/dbraw/zinc/28/57/42/170285742.db2.gz CXKAXLSDDJPWSZ-UHFFFAOYSA-N 0 0 264.328 3.536 10 0 CHAERN Cc1ccc(NC(=O)/C=C/c2ccccc2C)cc1 ZINC000007652017 170295625 /nfs/dbraw/zinc/29/56/25/170295625.db2.gz SSVNJRMGCZXUSD-FMIVXFBMSA-N 0 0 251.329 3.955 10 0 CHAERN Cc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1 ZINC000007969061 170310225 /nfs/dbraw/zinc/31/02/25/170310225.db2.gz CAJRDWLQUVJEMN-MDZDMXLPSA-N 0 0 285.774 3.978 10 0 CHAERN COc1ccc(CC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 ZINC000008272602 170328084 /nfs/dbraw/zinc/32/80/84/170328084.db2.gz FFDXJKFOZBTJJS-UHFFFAOYSA-N 0 0 299.370 3.502 10 0 CHAERN Cc1cc(C)c(C(=O)N(C)c2ccccc2)c(Cl)n1 ZINC000008491475 170337730 /nfs/dbraw/zinc/33/77/30/170337730.db2.gz YHIGYOPXYSZFBQ-UHFFFAOYSA-N 0 0 274.751 3.628 10 0 CHAERN CC(C)(C)NC(=O)c1ccc(OCCc2ccccc2)cc1 ZINC000008556578 170340330 /nfs/dbraw/zinc/34/03/30/170340330.db2.gz ZDSWKJLFFXHFFS-UHFFFAOYSA-N 0 0 297.398 3.836 10 0 CHAERN Cc1ccc(/C=C/c2nc3ccc(C)cc3c(=O)o2)cc1 ZINC000008906175 170358573 /nfs/dbraw/zinc/35/85/73/170358573.db2.gz OOZNLGJPEOHNSD-CSKARUKUSA-N 0 0 277.323 3.975 10 0 CHAERN CSc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000008976652 170360253 /nfs/dbraw/zinc/36/02/53/170360253.db2.gz NCNREFXRZMQBEF-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN COC(=O)c1sc(-c2ccc(C(C)C)cc2)cc1N ZINC000009189779 170365941 /nfs/dbraw/zinc/36/59/41/170365941.db2.gz OYQKOXDJYDVYPY-UHFFFAOYSA-N 0 0 275.373 3.907 10 0 CHAERN COc1ccc(C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000011631628 170429467 /nfs/dbraw/zinc/42/94/67/170429467.db2.gz SSVVJUYYQNVYRN-UHFFFAOYSA-N 0 0 266.340 3.805 10 0 CHAERN Cc1cccc([C@@H](CO)Cc2ccccc2Cl)c1 ZINC000011734518 170436742 /nfs/dbraw/zinc/43/67/42/170436742.db2.gz BAADHDASCSBDDA-OAHLLOKOSA-N 0 0 260.764 3.967 10 0 CHAERN COc1cccc2cc(C(=O)c3cc4ccccc4[nH]3)[nH]c21 ZINC000013472535 170553336 /nfs/dbraw/zinc/55/33/36/170553336.db2.gz OATAATAPIWYBRK-UHFFFAOYSA-N 0 0 290.322 3.889 10 0 CHAERN Cc1cc2c(nc1[C@@H](O)c1ccccc1)CCCCC2 ZINC000013602761 170568039 /nfs/dbraw/zinc/56/80/39/170568039.db2.gz LPRWGSDBXUZLEQ-SFHVURJKSA-N 0 0 267.372 3.741 10 0 CHAERN CCOc1ccc(/C=C/C(=O)n2cnc3ccccc32)cc1 ZINC000013620483 170569811 /nfs/dbraw/zinc/56/98/11/170569811.db2.gz ZZCACMYQHLSNCX-FMIVXFBMSA-N 0 0 292.338 3.789 10 0 CHAERN O=C(CSCc1ccc(Cl)cc1)C(F)(F)F ZINC000013859431 170605341 /nfs/dbraw/zinc/60/53/41/170605341.db2.gz QNFVMYYFMFPTDO-UHFFFAOYSA-N 0 0 268.687 3.705 10 0 CHAERN CCC(=O)Nc1cccc(OC(=O)/C=C/c2ccccc2)c1 ZINC000014767175 170644287 /nfs/dbraw/zinc/64/42/87/170644287.db2.gz MKKJVWALSWRSAE-VAWYXSNFSA-N 0 0 295.338 3.654 10 0 CHAERN O=C(Cc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000015885423 170681445 /nfs/dbraw/zinc/68/14/45/170681445.db2.gz SQXXBAVERPOHOE-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2cc(Cl)ccc2N)c1 ZINC000019410946 170789403 /nfs/dbraw/zinc/78/94/03/170789403.db2.gz OKLAUGGDYHACQS-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN C[C@@H](OCc1ccc(C(N)=S)cc1F)c1ccccc1 ZINC000019486512 170812578 /nfs/dbraw/zinc/81/25/78/170812578.db2.gz NTNLQXTYQNKNNV-LLVKDONJSA-N 0 0 289.375 3.738 10 0 CHAERN FC(F)(F)CNC1c2ccccc2-c2ccccc21 ZINC000019807486 170876550 /nfs/dbraw/zinc/87/65/50/170876550.db2.gz SUNZOPJJGIAUEO-UHFFFAOYSA-N 0 0 263.262 3.908 10 0 CHAERN FC(F)(F)CNCc1ccc(OCc2ccccc2)cc1 ZINC000019807462 170876789 /nfs/dbraw/zinc/87/67/89/170876789.db2.gz SSLOOIBGTAEXFA-UHFFFAOYSA-N 0 0 295.304 3.918 10 0 CHAERN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1 ZINC000019838528 170886796 /nfs/dbraw/zinc/88/67/96/170886796.db2.gz PRXNOFMDEHRSPA-UHFFFAOYSA-N 0 0 282.126 3.951 10 0 CHAERN Cc1cc(Cl)ccc1Oc1cc2c(cc1N)OCCO2 ZINC000019869149 170900102 /nfs/dbraw/zinc/90/01/02/170900102.db2.gz LFKCJVJSRBDHAK-UHFFFAOYSA-N 0 0 291.734 3.794 10 0 CHAERN COc1cccc(CNc2ccc(F)c(F)c2F)c1OC ZINC000019907704 170919718 /nfs/dbraw/zinc/91/97/18/170919718.db2.gz LCWPLBBWEPXYGW-UHFFFAOYSA-N 0 0 297.276 3.733 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccc(C(N)=O)cc1 ZINC000019911235 170921908 /nfs/dbraw/zinc/92/19/08/170921908.db2.gz TTYMSIXYABFFPM-MAZHCROVSA-N 0 0 274.408 3.658 10 0 CHAERN COc1cc([C@@H](C)Nc2ccccc2F)ccc1O ZINC000019944576 170935913 /nfs/dbraw/zinc/93/59/13/170935913.db2.gz MEHLBRYYQFKLBO-SNVBAGLBSA-N 0 0 261.296 3.713 10 0 CHAERN CCOc1ccc(Oc2ccccc2C(N)=S)cc1 ZINC000020077402 170985032 /nfs/dbraw/zinc/98/50/32/170985032.db2.gz CFLUWNYLNQVWJW-UHFFFAOYSA-N 0 0 273.357 3.512 10 0 CHAERN Cc1cc2ncn(-c3ccc(C=O)cc3F)c2cc1C ZINC000020079205 170985559 /nfs/dbraw/zinc/98/55/59/170985559.db2.gz WUPRMZQLAXGAPR-UHFFFAOYSA-N 0 0 268.291 3.594 10 0 CHAERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC000020089410 170989285 /nfs/dbraw/zinc/98/92/85/170989285.db2.gz FPJYMTPIMZQZMO-CYBMUJFWSA-N 0 0 295.429 3.715 10 0 CHAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(C)cc2C)c1 ZINC000020124683 171007075 /nfs/dbraw/zinc/00/70/75/171007075.db2.gz IHVWISODHPQKGR-AWEZNQCLSA-N 0 0 282.387 3.836 10 0 CHAERN Nc1ccc(NCCc2c[nH]c3ccccc23)c(F)c1 ZINC000020135659 171023096 /nfs/dbraw/zinc/02/30/96/171023096.db2.gz XMJPJOJWNDWNCZ-UHFFFAOYSA-N 0 0 269.323 3.544 10 0 CHAERN Nc1cc(F)ccc1NCCc1ccc(Cl)cc1 ZINC000020135491 171023355 /nfs/dbraw/zinc/02/33/55/171023355.db2.gz WPMFJRWMONDRKD-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN c1cc(CNCc2nc3ccccc3s2)cs1 ZINC000020136031 171023369 /nfs/dbraw/zinc/02/33/69/171023369.db2.gz MTEXZRLXOYCGEA-UHFFFAOYSA-N 0 0 260.387 3.648 10 0 CHAERN C[C@@H](Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000020147416 171033848 /nfs/dbraw/zinc/03/38/48/171033848.db2.gz XVZBYGCUHFCBAL-CQSZACIVSA-N 0 0 280.371 3.987 10 0 CHAERN c1nnc(-c2ccc(NCC3CCCCC3)cc2)o1 ZINC000020186867 171051591 /nfs/dbraw/zinc/05/15/91/171051591.db2.gz UVHSTVXSHVNFNY-UHFFFAOYSA-N 0 0 257.337 3.729 10 0 CHAERN CC(=O)c1ccccc1N(C)Cc1cccc(F)c1 ZINC000020266759 171123266 /nfs/dbraw/zinc/12/32/66/171123266.db2.gz HCOOFVHRRUSKLL-UHFFFAOYSA-N 0 0 257.308 3.665 10 0 CHAERN C[C@@H](Nc1cccc(Cl)c1F)C(=O)Nc1ccccc1 ZINC000020301623 171139782 /nfs/dbraw/zinc/13/97/82/171139782.db2.gz WVEHYUPKEDMTSM-SNVBAGLBSA-N 0 0 292.741 3.918 10 0 CHAERN Cc1ccc(C)c(N2C(=S)N=NC2c2cccs2)c1 ZINC000020303861 171140287 /nfs/dbraw/zinc/14/02/87/171140287.db2.gz BZUWNNPHWCFBRR-UHFFFAOYSA-N 0 0 287.413 3.901 10 0 CHAERN Nc1cccnc1Nc1cc(Cl)ccc1Cl ZINC000020317638 171147628 /nfs/dbraw/zinc/14/76/28/171147628.db2.gz XVZJDCPNNYLJGX-UHFFFAOYSA-N 0 0 254.120 3.714 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Nc2ccc(F)cc2N)cc1 ZINC000020343520 171153365 /nfs/dbraw/zinc/15/33/65/171153365.db2.gz YFTKRZFTEUTWEV-UHFFFAOYSA-N 0 0 286.350 3.958 10 0 CHAERN Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000020344881 171154120 /nfs/dbraw/zinc/15/41/20/171154120.db2.gz SVFMKOSSXAKKBG-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN CCCN(CCC)c1ccc(NC(=O)C(C)(C)C)cn1 ZINC000020360332 171158624 /nfs/dbraw/zinc/15/86/24/171158624.db2.gz FCHBGJLRXBVDPA-UHFFFAOYSA-N 0 0 277.412 3.693 10 0 CHAERN COc1ccc(COc2c(C)cc(C=O)cc2C)cc1 ZINC000020362268 171160885 /nfs/dbraw/zinc/16/08/85/171160885.db2.gz PVKJZGHYPIMHHE-UHFFFAOYSA-N 0 0 270.328 3.704 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc(Cl)c2F)c1O ZINC000020363103 171162191 /nfs/dbraw/zinc/16/21/91/171162191.db2.gz ZFAQMZDIDPAPBX-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCCCCNC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020365034 171163660 /nfs/dbraw/zinc/16/36/60/171163660.db2.gz FCCWHAHSXAJXJY-GFCCVEGCSA-N 0 0 280.437 3.515 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC000020366461 171165337 /nfs/dbraw/zinc/16/53/37/171165337.db2.gz MLAYYOZZHWGOKQ-CYBMUJFWSA-N 0 0 284.403 3.945 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020366434 171165404 /nfs/dbraw/zinc/16/54/04/171165404.db2.gz JEZWYAPGXMHMPD-STQMWFEESA-N 0 0 270.376 3.555 10 0 CHAERN COc1ccc2oc([C@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389614 171178915 /nfs/dbraw/zinc/17/89/15/171178915.db2.gz CRLQIHALNWBSSD-MRXNPFEDSA-N 0 0 271.291 3.629 10 0 CHAERN Cc1ccc2nc(C=C3SC(=S)NC3=O)ccc2c1 ZINC000020413995 171183133 /nfs/dbraw/zinc/18/31/33/171183133.db2.gz KAGWAFSPRXAHHN-GHXNOFRVSA-N 0 0 286.381 3.872 10 0 CHAERN CC[C@@H](c1nc2ccc(N)cc2o1)c1ccccc1 ZINC000020423970 171190875 /nfs/dbraw/zinc/19/08/75/171190875.db2.gz UYEVEWWSHQNRFT-CYBMUJFWSA-N 0 0 252.317 3.952 10 0 CHAERN Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C=O ZINC000020445439 171206458 /nfs/dbraw/zinc/20/64/58/171206458.db2.gz QBVYSKOAZQVUJV-UHFFFAOYSA-N 0 0 285.130 3.640 10 0 CHAERN CC[C@H](C)CNc1ccc(I)cc1 ZINC000020477143 171221075 /nfs/dbraw/zinc/22/10/75/171221075.db2.gz YDJPHXZFBMCETA-VIFPVBQESA-N 0 0 289.160 3.749 10 0 CHAERN C[C@H](Nc1ccc(I)cc1)C1CC1 ZINC000020477681 171221338 /nfs/dbraw/zinc/22/13/38/171221338.db2.gz NCMJPJLVALRTDE-QMMMGPOBSA-N 0 0 287.144 3.502 10 0 CHAERN CCCC(=O)NC(=S)Nc1ccccc1-c1ccccc1 ZINC000020497765 171227133 /nfs/dbraw/zinc/22/71/33/171227133.db2.gz IVXYNVPKVZMXMS-UHFFFAOYSA-N 0 0 298.411 3.967 10 0 CHAERN CCCCCCOc1ccc(Br)cc1N ZINC000020507092 171228749 /nfs/dbraw/zinc/22/87/49/171228749.db2.gz IZOZHKOMJSYKAT-UHFFFAOYSA-N 0 0 272.186 3.990 10 0 CHAERN C[C@H]1CCC[C@H](Oc2cccc(Cl)c2CO)C1 ZINC000020517489 171233111 /nfs/dbraw/zinc/23/31/11/171233111.db2.gz MYQQQWTXZHOMNQ-QWRGUYRKSA-N 0 0 254.757 3.790 10 0 CHAERN CCc1cccc(OCc2ccc(C(N)=S)cc2F)c1 ZINC000020546696 171244376 /nfs/dbraw/zinc/24/43/76/171244376.db2.gz KNTXEYDODYBORY-UHFFFAOYSA-N 0 0 289.375 3.601 10 0 CHAERN COC(=O)c1c(N)scc1-c1c(C)cc(C)cc1C ZINC000020567375 171255258 /nfs/dbraw/zinc/25/52/58/171255258.db2.gz KUBYHDOSJVKOTI-UHFFFAOYSA-N 0 0 275.373 3.709 10 0 CHAERN Cc1noc2ncnc(Nc3cccc(C(F)(F)F)c3)c12 ZINC000020575121 171255866 /nfs/dbraw/zinc/25/58/66/171255866.db2.gz LKQDPJFWKVQKGO-UHFFFAOYSA-N 0 0 294.236 3.689 10 0 CHAERN Clc1ccc([C@H]2CC(c3ccccc3)=NN2)cc1 ZINC000020578336 171256344 /nfs/dbraw/zinc/25/63/44/171256344.db2.gz RXULPLUJSOLALC-OAHLLOKOSA-N 0 0 256.736 3.779 10 0 CHAERN Cc1cnn([C@@H](C)c2ccc(CC(C)C)cc2)c1N ZINC000020578764 171256728 /nfs/dbraw/zinc/25/67/28/171256728.db2.gz IEILGXMPRBXCAN-ZDUSSCGKSA-N 0 0 257.381 3.582 10 0 CHAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1cccnc1 ZINC000020592853 171262500 /nfs/dbraw/zinc/26/25/00/171262500.db2.gz PAVYKETWBJBFJU-CQSZACIVSA-N 0 0 258.708 3.529 10 0 CHAERN Oc1cccc(CNc2ccc(F)cc2Cl)c1 ZINC000020594857 171263608 /nfs/dbraw/zinc/26/36/08/171263608.db2.gz NRHFLHZICGDOPA-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1ccc(CNc2ccc(F)cc2Cl)cc1 ZINC000020595269 171264015 /nfs/dbraw/zinc/26/40/15/171264015.db2.gz KSZSXSKVWBPJTQ-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Cc1ccc([C@H](C)Nc2ncnc3sccc32)o1 ZINC000020669750 171269428 /nfs/dbraw/zinc/26/94/28/171269428.db2.gz FFIOCEDFGWAARX-VIFPVBQESA-N 0 0 259.334 3.766 10 0 CHAERN CCCOc1ccc(Cl)cc1CNCc1ccccn1 ZINC000020929025 171280361 /nfs/dbraw/zinc/28/03/61/171280361.db2.gz ZZBZVHMPMYBXBO-UHFFFAOYSA-N 0 0 290.794 3.814 10 0 CHAERN Cc1ccccc1[C@H](CC(=O)NC1CCCC1)n1cccc1 ZINC000020998607 171284406 /nfs/dbraw/zinc/28/44/06/171284406.db2.gz FVMFZIAODARNHD-SFHVURJKSA-N 0 0 296.414 3.835 10 0 CHAERN CC(=O)Oc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000021025241 171291026 /nfs/dbraw/zinc/29/10/26/171291026.db2.gz TULYPOVZORRJOA-UHFFFAOYSA-N 0 0 295.294 3.610 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(O)cc1C ZINC000021144950 171298151 /nfs/dbraw/zinc/29/81/51/171298151.db2.gz DAWZHBNKELOGSW-JLHYYAGUSA-N 0 0 267.328 3.743 10 0 CHAERN CC(C)(C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000021270994 171300333 /nfs/dbraw/zinc/30/03/33/171300333.db2.gz JRPFMFXMDNQTTB-UHFFFAOYSA-N 0 0 292.123 3.712 10 0 CHAERN CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 ZINC000021334985 171302573 /nfs/dbraw/zinc/30/25/73/171302573.db2.gz AZUOEVLNUPORMH-QWHCGFSZSA-N 0 0 283.437 3.523 10 0 CHAERN CC[C@H](C)Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000021782647 171322600 /nfs/dbraw/zinc/32/26/00/171322600.db2.gz YAOPWNPRMOMYMQ-SWLSCSKDSA-N 0 0 258.365 3.934 10 0 CHAERN CNc1ccccc1-c1nc(-c2cccs2)no1 ZINC000021806811 171327990 /nfs/dbraw/zinc/32/79/90/171327990.db2.gz BXXYEYAJRPCTJJ-UHFFFAOYSA-N 0 0 257.318 3.507 10 0 CHAERN CCOc1cc(C=O)cc(Cl)c1OCc1cscn1 ZINC000021952233 171339937 /nfs/dbraw/zinc/33/99/37/171339937.db2.gz IQLUMQCJRPTFEE-UHFFFAOYSA-N 0 0 297.763 3.587 10 0 CHAERN Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F ZINC000021968620 171343975 /nfs/dbraw/zinc/34/39/75/171343975.db2.gz KTXFXTHTBKFMJX-UHFFFAOYSA-N 0 0 280.249 3.540 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccc(N)cc2Cl)c1 ZINC000021968162 171344039 /nfs/dbraw/zinc/34/40/39/171344039.db2.gz CSWIUTZTBQHERB-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN O=C1Cc2ccccc2N1c1c(Cl)cc(O)cc1Cl ZINC000022057010 171351088 /nfs/dbraw/zinc/35/10/88/171351088.db2.gz QZGDFRBQDMINQA-UHFFFAOYSA-N 0 0 294.137 3.920 10 0 in-vitro CHAERN Nc1cccc(Oc2ncc(Cl)cc2Cl)c1 ZINC000022141115 171354999 /nfs/dbraw/zinc/35/49/99/171354999.db2.gz FHICBXDNPAHXFY-UHFFFAOYSA-N 0 0 255.104 3.763 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)Nc1ccccc1 ZINC000022147359 171357286 /nfs/dbraw/zinc/35/72/86/171357286.db2.gz HPXUSJPJRXLJLV-UHFFFAOYSA-N 0 0 261.712 3.566 10 0 CHAERN Nc1ccc(NC(=O)c2cccc(F)c2)cc1C(F)(F)F ZINC000022147625 171357402 /nfs/dbraw/zinc/35/74/02/171357402.db2.gz QUKIVKDPDASDTN-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Nc1ccc(NC(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000022148488 171357660 /nfs/dbraw/zinc/35/76/60/171357660.db2.gz QTSJESPIXUTUJW-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN CCN(c1ccc(N)cn1)c1cccc2ccccc21 ZINC000022154445 171361261 /nfs/dbraw/zinc/36/12/61/171361261.db2.gz QXLABDUWEOGKBA-UHFFFAOYSA-N 0 0 263.344 3.975 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(Cl)cc2N)c1C ZINC000022173575 171369163 /nfs/dbraw/zinc/36/91/63/171369163.db2.gz DNICDVSHXWKJRO-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000024646816 171438711 /nfs/dbraw/zinc/43/87/11/171438711.db2.gz JZWBDUKJFHDQHF-DVQDXYAYSA-N 0 0 293.366 3.648 10 0 CHAERN Nc1nc(-c2ccccc2)ncc1-c1cccc(F)c1 ZINC000026465857 171485441 /nfs/dbraw/zinc/48/54/41/171485441.db2.gz VWNDZUSCQCDBGJ-UHFFFAOYSA-N 0 0 265.291 3.532 10 0 CHAERN CCc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 ZINC000026653549 171494824 /nfs/dbraw/zinc/49/48/24/171494824.db2.gz ZQURSDASJNGYGJ-UHFFFAOYSA-N 0 0 276.343 3.845 10 0 CHAERN CC(C)CNC(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000027064580 171506227 /nfs/dbraw/zinc/50/62/27/171506227.db2.gz VXAUMBRTCWHBOF-ZZXKWVIFSA-N 0 0 272.175 3.779 10 0 CHAERN CCc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000032111219 171704155 /nfs/dbraw/zinc/70/41/55/171704155.db2.gz RTEYUTXZURFOAK-UHFFFAOYSA-N 0 0 259.736 3.716 10 0 CHAERN COc1ccc([C@H]2CC(=O)c3cc(F)ccc3O2)cc1 ZINC000033814997 171821343 /nfs/dbraw/zinc/82/13/43/171821343.db2.gz YAMGMTOTNANQRU-MRXNPFEDSA-N 0 0 272.275 3.541 10 0 CHAERN Cc1ccc(/C=C\C(=O)Nc2cc(C)cc(C)n2)cc1 ZINC000033863502 171823010 /nfs/dbraw/zinc/82/30/10/171823010.db2.gz CPWPGZMXDPOGSL-HJWRWDBZSA-N 0 0 266.344 3.659 10 0 CHAERN OC1(CNc2ccnc3cc(Cl)ccc32)CCCCC1 ZINC000034248341 171835461 /nfs/dbraw/zinc/83/54/61/171835461.db2.gz GUFDMVOXSAQABI-UHFFFAOYSA-N 0 0 290.794 3.995 10 0 CHAERN CN(C)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000034557159 171844431 /nfs/dbraw/zinc/84/44/31/171844431.db2.gz RIOOZRCQPYGYBB-UHFFFAOYSA-N 0 0 268.147 3.516 10 0 CHAERN O=C(Cc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000034940228 171899740 /nfs/dbraw/zinc/89/97/40/171899740.db2.gz SDGVXNFSVAYDBU-UHFFFAOYSA-N 0 0 271.703 3.907 10 0 CHAERN CCc1ccc(C(=O)c2ccc(F)cc2F)s1 ZINC000034976845 171911164 /nfs/dbraw/zinc/91/11/64/171911164.db2.gz BBCAUAYULOUXST-UHFFFAOYSA-N 0 0 252.285 3.820 10 0 CHAERN COc1ccc(COc2ccc(C)cc2C(C)=O)cc1F ZINC000035100195 171978310 /nfs/dbraw/zinc/97/83/10/171978310.db2.gz COCJAZIAXHWSQS-UHFFFAOYSA-N 0 0 288.318 3.924 10 0 CHAERN CC(=O)c1cc(F)ccc1N(C)Cc1ccc(C)o1 ZINC000035124492 171994519 /nfs/dbraw/zinc/99/45/19/171994519.db2.gz TYYMOPARAFKRNB-UHFFFAOYSA-N 0 0 261.296 3.566 10 0 CHAERN O=C(Nc1cc(F)ccc1F)c1c[nH]c2ccccc12 ZINC000035134638 172001690 /nfs/dbraw/zinc/00/16/90/172001690.db2.gz ZNLZAHWYGNPAQH-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN CC[C@@H](C)SCC(=O)c1cc(C)n(CC)c1C ZINC000035182547 172035942 /nfs/dbraw/zinc/03/59/42/172035942.db2.gz LCNNBLRWDQMBLT-LLVKDONJSA-N 0 0 253.411 3.839 10 0 CHAERN Cc1ccc(C(=O)COc2cc(C)cc(C)c2)cc1 ZINC000035182404 172036117 /nfs/dbraw/zinc/03/61/17/172036117.db2.gz YIVANRVGKHBQJG-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CC[C@H](C)S[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000035182628 172036173 /nfs/dbraw/zinc/03/61/73/172036173.db2.gz URJMJBOUXIPVIC-WDEREUQCSA-N 0 0 252.379 3.798 10 0 CHAERN Cc1cc(C)cc(OCC(=O)c2cc(F)ccc2F)c1 ZINC000035182374 172036223 /nfs/dbraw/zinc/03/62/23/172036223.db2.gz SVOOWTJHYOLLEP-UHFFFAOYSA-N 0 0 276.282 3.843 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000035183541 172037052 /nfs/dbraw/zinc/03/70/52/172037052.db2.gz CFUPVVARYAMXNZ-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN O=C(c1cc(Cl)ccc1O)N1CCC[C@H]2CCCC[C@H]21 ZINC000035219403 172060003 /nfs/dbraw/zinc/06/00/03/172060003.db2.gz YHHYTTGHPHROFN-BXUZGUMPSA-N 0 0 293.794 3.840 10 0 CHAERN Nc1ccc(F)cc1COc1ccc(Cl)cc1 ZINC000035308713 172121511 /nfs/dbraw/zinc/12/15/11/172121511.db2.gz QHZCVNZKYRPWFS-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN CC1CCC(Oc2ccc(N)c3cnccc23)CC1 ZINC000035333106 172131714 /nfs/dbraw/zinc/13/17/14/172131714.db2.gz HVGHJDYAQGVIHU-UHFFFAOYSA-N 0 0 256.349 3.775 10 0 CHAERN CN(c1ccc(N)c2cccnc21)C1CCCCC1 ZINC000035341772 172133977 /nfs/dbraw/zinc/13/39/77/172133977.db2.gz MKZRMMSIQMBETN-UHFFFAOYSA-N 0 0 255.365 3.586 10 0 CHAERN Cc1ccc(Oc2nc3sccn3c2C=O)cc1C ZINC000035428555 172196606 /nfs/dbraw/zinc/19/66/06/172196606.db2.gz IVEOHEHUPATEOR-UHFFFAOYSA-N 0 0 272.329 3.617 10 0 CHAERN Cc1cc(Oc2nc3sccn3c2CO)ccc1Cl ZINC000035429276 172197319 /nfs/dbraw/zinc/19/73/19/172197319.db2.gz UVQSPNSNMUDWPB-UHFFFAOYSA-N 0 0 294.763 3.642 10 0 CHAERN CCN[C@H](c1cccs1)c1c(F)cc(F)cc1F ZINC000035544558 172252957 /nfs/dbraw/zinc/25/29/57/172252957.db2.gz LVINSTFLTAPIPS-CYBMUJFWSA-N 0 0 271.307 3.864 10 0 CHAERN Cc1ccc(OCCc2ccccc2)c([C@@H](C)O)c1 ZINC000035630426 172311318 /nfs/dbraw/zinc/31/13/18/172311318.db2.gz YGEDXMLOHYRJNY-CQSZACIVSA-N 0 0 256.345 3.670 10 0 CHAERN Cc1cc2ncn(-c3cccc(F)c3[C@@H](C)O)c2cc1C ZINC000035631818 172313943 /nfs/dbraw/zinc/31/39/43/172313943.db2.gz HUZWAYGLSIJTAH-GFCCVEGCSA-N 0 0 284.334 3.835 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N(C)C1CCCCC1 ZINC000035631296 172313953 /nfs/dbraw/zinc/31/39/53/172313953.db2.gz YOXBOJRVHQJLSU-LLVKDONJSA-N 0 0 251.345 3.648 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N(C)C1CCCCC1 ZINC000035631300 172313974 /nfs/dbraw/zinc/31/39/74/172313974.db2.gz CYBQAZWRWHKAJY-LLVKDONJSA-N 0 0 251.345 3.648 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1ccc(F)cc1F ZINC000035632010 172314296 /nfs/dbraw/zinc/31/42/96/172314296.db2.gz KQFJNAJZEJPMJT-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2F)c(F)c1 ZINC000035632015 172314463 /nfs/dbraw/zinc/31/44/63/172314463.db2.gz XAJFKVRJIYHSCD-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@H](O)c1ccc(Oc2ccccc2F)c(F)c1 ZINC000035632188 172315023 /nfs/dbraw/zinc/31/50/23/172315023.db2.gz OUVUHZKJPSZLOO-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN COc1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1 ZINC000035632365 172315099 /nfs/dbraw/zinc/31/50/99/172315099.db2.gz SJXZPPAQWZFSCX-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN Nc1ccc(Oc2ccc(Cl)cc2Cl)c2nonc21 ZINC000035675844 172346152 /nfs/dbraw/zinc/34/61/52/172346152.db2.gz CNNOOYPOAQJOQT-UHFFFAOYSA-N 0 0 296.113 3.904 10 0 CHAERN Nc1ccc(Sc2cc(F)ccc2F)c(F)c1 ZINC000035676184 172346588 /nfs/dbraw/zinc/34/65/88/172346588.db2.gz RKWWCUYDAVBLAA-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN C[C@@H](O)c1ccc(N(C)Cc2cccs2)c(F)c1 ZINC000035717899 172372167 /nfs/dbraw/zinc/37/21/67/172372167.db2.gz DHNABBXHKWSTTP-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2)c1cccs1 ZINC000035736779 172390047 /nfs/dbraw/zinc/39/00/47/172390047.db2.gz PCKXRVIUJCZRII-LLVKDONJSA-N 0 0 286.400 3.597 10 0 CHAERN C[C@H](c1cccs1)N1C(=S)N=NC1c1cccs1 ZINC000035737189 172390601 /nfs/dbraw/zinc/39/06/01/172390601.db2.gz RIYOGCWQEHKEQX-MRVPVSSYSA-N 0 0 293.442 3.966 10 0 CHAERN CCN(c1ccc2scnc2c1N)C1CCCC1 ZINC000035765266 172405855 /nfs/dbraw/zinc/40/58/55/172405855.db2.gz WNNHWCGPKORZTB-UHFFFAOYSA-N 0 0 261.394 3.647 10 0 CHAERN Nc1cccc(Cl)c1N1CCC[C@@H]1c1ccncc1 ZINC000036132340 172454509 /nfs/dbraw/zinc/45/45/09/172454509.db2.gz DUZYSZYYCWEDEL-CQSZACIVSA-N 0 0 273.767 3.659 10 0 CHAERN COc1ccc([C@@H](O)CC(C)C)cc1Br ZINC000036174971 172494897 /nfs/dbraw/zinc/49/48/97/172494897.db2.gz JKBZLYOVEIPSKD-NSHDSACASA-N 0 0 273.170 3.537 10 0 CHAERN COc1ccc([C@H](N)C(F)(F)C(F)(F)F)c(Cl)c1 ZINC000036767784 172686678 /nfs/dbraw/zinc/68/66/78/172686678.db2.gz CVIKAZRSDISXLH-QMMMGPOBSA-N 0 0 289.631 3.546 10 0 CHAERN CCC[C@H](C)CNc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000036957981 172827644 /nfs/dbraw/zinc/82/76/44/172827644.db2.gz OWHGHYSXSONSOQ-JTQLQIEISA-N 0 0 291.363 3.531 10 0 CHAERN COC(C)(C)C[C@@H](C)Nc1cnc2ccccc2c1 ZINC000036989779 172852755 /nfs/dbraw/zinc/85/27/55/172852755.db2.gz JHPJSWRZHGPNRY-GFCCVEGCSA-N 0 0 258.365 3.850 10 0 CHAERN CCOc1ncccc1N[C@@H](C)c1nc(C)sc1C ZINC000037025672 172888833 /nfs/dbraw/zinc/88/88/33/172888833.db2.gz OFTMLDQENIUQOY-VIFPVBQESA-N 0 0 277.393 3.727 10 0 CHAERN COC(=O)c1cccc(N[C@@H](C)c2ccco2)c1C ZINC000037047462 172913917 /nfs/dbraw/zinc/91/39/17/172913917.db2.gz AUDRMFJQCADGHR-NSHDSACASA-N 0 0 259.305 3.548 10 0 CHAERN COc1nc(Nc2cc(Cl)ccc2Cl)ccc1N ZINC000037067209 172929924 /nfs/dbraw/zinc/92/99/24/172929924.db2.gz XSBMKEGFTZEAHF-UHFFFAOYSA-N 0 0 284.146 3.723 10 0 CHAERN COc1nc(Oc2ccc(C(C)C)cc2)ccc1N ZINC000037068447 172930695 /nfs/dbraw/zinc/93/06/95/172930695.db2.gz POGXTVWUKBFIBT-UHFFFAOYSA-N 0 0 258.321 3.588 10 0 CHAERN CCC(CC)CNc1cnc(-c2ccccc2)nc1 ZINC000037073198 172932747 /nfs/dbraw/zinc/93/27/47/172932747.db2.gz YMKJEWGLGPTQCB-UHFFFAOYSA-N 0 0 255.365 3.992 10 0 CHAERN CCCCCN(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037165460 173000434 /nfs/dbraw/zinc/00/04/34/173000434.db2.gz VHFYMOQZGRSCBW-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN CC(C)(C)c1cnc(CSc2ccc(N)cc2)o1 ZINC000037181749 173013874 /nfs/dbraw/zinc/01/38/74/173013874.db2.gz HZATYTAYGQTYHL-UHFFFAOYSA-N 0 0 262.378 3.847 10 0 CHAERN COc1ccc(CNc2c(F)cccc2F)cc1C ZINC000037247307 173060100 /nfs/dbraw/zinc/06/01/00/173060100.db2.gz JXXMNBXRARBXSE-UHFFFAOYSA-N 0 0 263.287 3.894 10 0 CHAERN CC[C@@H](Nc1c(C)n[nH]c1C)c1ccccc1OC ZINC000037261581 173071587 /nfs/dbraw/zinc/07/15/87/173071587.db2.gz OJZQCNBFXYNIIU-CYBMUJFWSA-N 0 0 259.353 3.598 10 0 CHAERN Cc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)c2cccnc12 ZINC000037312714 173115214 /nfs/dbraw/zinc/11/52/14/173115214.db2.gz MTLSVLHADGCFMD-HEHGZKQESA-N 0 0 250.345 3.920 10 0 CHAERN Cc1cccc(N)c1NC(=O)Nc1cccc(Cl)c1 ZINC000037331193 173132852 /nfs/dbraw/zinc/13/28/52/173132852.db2.gz NUAZGYRIXFMQHK-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCC(=O)c1cc(F)ccc1F ZINC000037343833 173143134 /nfs/dbraw/zinc/14/31/34/173143134.db2.gz XKIPYSKVKJIFJR-BMIGLBTASA-N 0 0 268.303 3.743 10 0 CHAERN COc1cc(C)ccc1C(=O)COC1CCCCC1 ZINC000037346148 173143196 /nfs/dbraw/zinc/14/31/96/173143196.db2.gz XZJXGNWLSLVNOY-UHFFFAOYSA-N 0 0 262.349 3.536 10 0 CHAERN Nc1n[nH]c(C2CC2)c1-c1cccc(C(F)(F)F)c1 ZINC000037349333 173144227 /nfs/dbraw/zinc/14/42/27/173144227.db2.gz YTBWGYLHBLBGSC-UHFFFAOYSA-N 0 0 267.254 3.555 10 0 CHAERN COc1ccc(F)cc1C(=O)c1ccc(C)c(F)c1 ZINC000037362399 173151778 /nfs/dbraw/zinc/15/17/78/173151778.db2.gz NFWMCFBMQQUNOP-UHFFFAOYSA-N 0 0 262.255 3.513 10 0 CHAERN Cc1cccc(Oc2ccc3ncccc3c2N)c1 ZINC000037378396 173166182 /nfs/dbraw/zinc/16/61/82/173166182.db2.gz TZVYZBKSXZMHTP-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Nc1cccc(Br)c1COc1ccccc1F ZINC000037402094 173178998 /nfs/dbraw/zinc/17/89/98/173178998.db2.gz WAFKVSYJJLERKM-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Oc1ccccc1-c1nc2cc(Br)ccc2[nH]1 ZINC000037442054 173211006 /nfs/dbraw/zinc/21/10/06/173211006.db2.gz LIOJVPKXLNOWTO-UHFFFAOYSA-N 0 0 289.132 3.698 10 0 CHAERN CCn1c2cccc(F)c2nc1-c1ccc(O)cc1 ZINC000037443250 173212470 /nfs/dbraw/zinc/21/24/70/173212470.db2.gz AESNQAXQECFRFI-UHFFFAOYSA-N 0 0 256.280 3.568 10 0 CHAERN CN(Cc1ccc(N)cc1Br)c1ccccc1 ZINC000037515876 173247764 /nfs/dbraw/zinc/24/77/64/173247764.db2.gz LMEPIJGJWFCPGE-UHFFFAOYSA-N 0 0 291.192 3.668 10 0 CHAERN C[C@](O)(Cc1ccccc1Cl)c1ccccc1F ZINC000037530733 173252922 /nfs/dbraw/zinc/25/29/22/173252922.db2.gz IKTYYZZRUGQOAF-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN C[C@@](O)(Cc1ccccc1Cl)c1ccccc1F ZINC000037530732 173252943 /nfs/dbraw/zinc/25/29/43/173252943.db2.gz IKTYYZZRUGQOAF-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN CCOc1cccc(C(=O)CCc2ccccc2)c1 ZINC000037531841 173253251 /nfs/dbraw/zinc/25/32/51/173253251.db2.gz VIBMYJGBWDWFTO-UHFFFAOYSA-N 0 0 254.329 3.901 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037532465 173254004 /nfs/dbraw/zinc/25/40/04/173254004.db2.gz GDRRKJQHSHUCGT-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000037532267 173254040 /nfs/dbraw/zinc/25/40/40/173254040.db2.gz JGYFTPQZNTXUSA-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN Cn1ccc(N[C@@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000037560746 173271314 /nfs/dbraw/zinc/27/13/14/173271314.db2.gz OWHLQCQCZWNNTG-LSDHHAIUSA-N 0 0 255.365 3.558 10 0 CHAERN Cn1ccc(N[C@@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000037560742 173271331 /nfs/dbraw/zinc/27/13/31/173271331.db2.gz OWHLQCQCZWNNTG-HUUCEWRRSA-N 0 0 255.365 3.558 10 0 CHAERN Cc1ccc2sc(CNc3ccc(O)cc3)nc2c1 ZINC000037600255 173553733 /nfs/dbraw/zinc/55/37/33/173553733.db2.gz XMMWKJZPESLUHN-UHFFFAOYSA-N 0 0 270.357 3.922 10 0 CHAERN CC[C@@H]1CCCN1[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000037914635 173848152 /nfs/dbraw/zinc/84/81/52/173848152.db2.gz GUEDECLWRUFYCM-VHSXEESVSA-N 0 0 271.813 3.847 10 0 CHAERN CC[C@@H]1CCCN1CC(=O)c1ccccc1Br ZINC000037914495 173848658 /nfs/dbraw/zinc/84/86/58/173848658.db2.gz DUSQAABLDFDOOE-LLVKDONJSA-N 0 0 296.208 3.506 10 0 CHAERN CCC[C@](C)(Nc1ccccc1Cl)C(=O)OCC ZINC000037955260 173896552 /nfs/dbraw/zinc/89/65/52/173896552.db2.gz YPARNFPJDPGDRE-AWEZNQCLSA-N 0 0 269.772 3.874 10 0 CHAERN Cc1cc2ncnn2c(N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000037979399 173938193 /nfs/dbraw/zinc/93/81/93/173938193.db2.gz CZDDLXCLZVGOKZ-NSHDSACASA-N 0 0 286.766 3.864 10 0 CHAERN Nc1ccc(Cl)c(Nc2ncccc2Cl)c1 ZINC000038033823 174032241 /nfs/dbraw/zinc/03/22/41/174032241.db2.gz SWQMRABZPNBMEZ-UHFFFAOYSA-N 0 0 254.120 3.714 10 0 CHAERN C[C@@H](Nc1c(F)cc(N)cc1F)c1cccs1 ZINC000038040117 174040499 /nfs/dbraw/zinc/04/04/99/174040499.db2.gz LUUMUXNPJHJJQH-SSDOTTSWSA-N 0 0 254.305 3.782 10 0 CHAERN Nc1cc(F)c(Nc2ccccc2OC(F)F)c(F)c1 ZINC000038040039 174040509 /nfs/dbraw/zinc/04/05/09/174040509.db2.gz GYSZPDWIIMAHDN-UHFFFAOYSA-N 0 0 286.228 3.892 10 0 CHAERN CN(CCCc1ccccc1)c1c(F)cc(N)cc1F ZINC000038040179 174040552 /nfs/dbraw/zinc/04/05/52/174040552.db2.gz HQSAOADXTKYDGP-UHFFFAOYSA-N 0 0 276.330 3.616 10 0 CHAERN Cc1ccc(C(C)C)cc1OCCCC(N)=S ZINC000038053030 174064578 /nfs/dbraw/zinc/06/45/78/174064578.db2.gz XGCBFIWMUOCSCT-UHFFFAOYSA-N 0 0 251.395 3.564 10 0 CHAERN Cc1ccc(C(C)C)cc1Oc1ncccc1C(N)=S ZINC000038053029 174064661 /nfs/dbraw/zinc/06/46/61/174064661.db2.gz VMQNOOVRYBKNOT-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN C[C@H](C(=O)c1cccc(Cl)c1)n1cc(Cl)cn1 ZINC000038053763 174064983 /nfs/dbraw/zinc/06/49/83/174064983.db2.gz AVJYLNQXBBLBQU-MRVPVSSYSA-N 0 0 269.131 3.634 10 0 CHAERN Nc1cccc(OCc2csc(-c3ccco3)n2)c1 ZINC000038055020 174066437 /nfs/dbraw/zinc/06/64/37/174066437.db2.gz RDEAVJIWVCVXFY-UHFFFAOYSA-N 0 0 272.329 3.564 10 0 CHAERN CCCN[C@@H](c1ccc2c(c1)CCCO2)C(F)(F)F ZINC000038058234 174069070 /nfs/dbraw/zinc/06/90/70/174069070.db2.gz TZCOEQRCPITLRI-ZDUSSCGKSA-N 0 0 273.298 3.615 10 0 CHAERN CC[C@H](C)N[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000038067201 174079022 /nfs/dbraw/zinc/07/90/22/174079022.db2.gz IYBBUJKNQXJJQR-QPUJVOFHSA-N 0 0 290.190 3.596 10 0 CHAERN CC[C@H](C)N[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000038067325 174079187 /nfs/dbraw/zinc/07/91/87/174079187.db2.gz LWFCIOARYYREPS-UFBFGSQYSA-N 0 0 290.190 3.596 10 0 CHAERN C[C@@H](Nc1nc2ccccc2o1)c1ccc(N)cc1 ZINC000038074705 174084622 /nfs/dbraw/zinc/08/46/22/174084622.db2.gz QEHDZWNMMCRZOW-SNVBAGLBSA-N 0 0 253.305 3.583 10 0 CHAERN CCc1ccccc1Oc1nc(Cl)c(C(=O)OC)s1 ZINC000038082402 174091077 /nfs/dbraw/zinc/09/10/77/174091077.db2.gz DGPPGUMEAJPTFU-UHFFFAOYSA-N 0 0 297.763 3.938 10 0 CHAERN COC(=O)c1cccc2ccc(C)c(Br)c21 ZINC000039002230 174160931 /nfs/dbraw/zinc/16/09/31/174160931.db2.gz QPOHNXXKFNKHQQ-UHFFFAOYSA-N 0 0 279.133 3.697 10 0 CHAERN Cc1cccc2sc(=NC(=O)OC(C)(C)C)[nH]c21 ZINC000039123837 174163885 /nfs/dbraw/zinc/16/38/85/174163885.db2.gz UACGNPLNWBPUJN-UHFFFAOYSA-N 0 0 264.350 3.952 10 0 CHAERN FC(F)Oc1ccc(OC(F)F)c(Br)c1 ZINC000039711858 174171635 /nfs/dbraw/zinc/17/16/35/174171635.db2.gz WBGSQJVTOARKSH-UHFFFAOYSA-N 0 0 289.022 3.652 10 0 CHAERN CCOC(=O)c1c(C)[nH]cc1Cc1ccc(C)c(C)c1 ZINC000040169498 174199546 /nfs/dbraw/zinc/19/95/46/174199546.db2.gz TZJAGTGLCKVNNA-UHFFFAOYSA-N 0 0 271.360 3.707 10 0 CHAERN CCc1nc2ccccc2n1CCOc1ccc(OC)cc1 ZINC000040227381 174208765 /nfs/dbraw/zinc/20/87/65/174208765.db2.gz ZGCDRJSVCHLGPR-UHFFFAOYSA-N 0 0 296.370 3.686 10 0 CHAERN CCc1nc2ccccc2n1CCOc1ccccc1C ZINC000040227340 174208771 /nfs/dbraw/zinc/20/87/71/174208771.db2.gz RVYAZJJRJUPWTO-UHFFFAOYSA-N 0 0 280.371 3.986 10 0 CHAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccccc1 ZINC000040239430 174212076 /nfs/dbraw/zinc/21/20/76/174212076.db2.gz ITLXJFFPWIWFLF-UHFFFAOYSA-N 0 0 294.354 3.655 10 0 CHAERN O[C@@H](c1cccs1)c1cccc(Br)c1 ZINC000040237798 174212086 /nfs/dbraw/zinc/21/20/86/174212086.db2.gz CJWUYGOKIMUCBI-LLVKDONJSA-N 0 0 269.163 3.592 10 0 CHAERN O[C@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000040243700 174214390 /nfs/dbraw/zinc/21/43/90/174214390.db2.gz LGMFREXXRVNBMY-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN COCCCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040402798 174253613 /nfs/dbraw/zinc/25/36/13/174253613.db2.gz WIVBOGCOWRPKKO-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN OCCCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040402507 174253634 /nfs/dbraw/zinc/25/36/34/174253634.db2.gz FFXGGNJBYMUACV-UHFFFAOYSA-N 0 0 292.791 3.801 10 0 CHAERN CCOCCn1c(CC)nc2cc(C(F)(F)F)ccc21 ZINC000040404886 174254271 /nfs/dbraw/zinc/25/42/71/174254271.db2.gz UKNPPZCZJQRADH-UHFFFAOYSA-N 0 0 286.297 3.654 10 0 CHAERN Cc1ccc(C)c(Nc2ncnc(NCCC(C)C)c2N)c1 ZINC000040704662 174378946 /nfs/dbraw/zinc/37/89/46/174378946.db2.gz LOGUZJIOGAGGIJ-UHFFFAOYSA-N 0 0 299.422 3.877 10 0 CHAERN CC(C)Oc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040758976 174396892 /nfs/dbraw/zinc/39/68/92/174396892.db2.gz SGJNFLKDNPHHOJ-UHFFFAOYSA-N 0 0 294.358 3.743 10 0 CHAERN CCOc1ccc(-c2nc3sc(CC)nn3c2C)cc1 ZINC000040963547 174440383 /nfs/dbraw/zinc/44/03/83/174440383.db2.gz GGYIXMSFCSAIID-UHFFFAOYSA-N 0 0 287.388 3.727 10 0 CHAERN CCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1 ZINC000040964873 174440754 /nfs/dbraw/zinc/44/07/54/174440754.db2.gz VZJWGIMRJYDTAC-UHFFFAOYSA-N 0 0 271.389 3.945 10 0 CHAERN COC(=O)c1ccc(Oc2ccccc2Cl)c(N)c1 ZINC000041080213 174473680 /nfs/dbraw/zinc/47/36/80/174473680.db2.gz LTYPQWVLGJOKKQ-UHFFFAOYSA-N 0 0 277.707 3.501 10 0 CHAERN CCOc1cccc([C@H](O)c2cccc(Cl)c2)c1 ZINC000041355385 174533552 /nfs/dbraw/zinc/53/35/52/174533552.db2.gz ZQGBPEPAHSYDQL-OAHLLOKOSA-N 0 0 262.736 3.820 10 0 CHAERN CC1CCC(OC(=O)c2ccc(N)cc2Cl)CC1 ZINC000041580771 174571229 /nfs/dbraw/zinc/57/12/29/174571229.db2.gz OAUHIESLKCQDPO-UHFFFAOYSA-N 0 0 267.756 3.658 10 0 CHAERN CCCOC(=O)c1cc2cccc(Br)c2o1 ZINC000042270366 174671282 /nfs/dbraw/zinc/67/12/82/174671282.db2.gz QLZLBOYHEUBRBO-UHFFFAOYSA-N 0 0 283.121 3.762 10 0 CHAERN CC(C)CN(c1cccc(Cl)c1C=O)C1CC1 ZINC000042557758 174794257 /nfs/dbraw/zinc/79/42/57/174794257.db2.gz IWPSBJYXFUOKSA-UHFFFAOYSA-N 0 0 251.757 3.777 10 0 CHAERN Fc1cc(NCCc2ccncc2)ccc1Cl ZINC000042580006 174804492 /nfs/dbraw/zinc/80/44/92/174804492.db2.gz MLKSNPSPMFSDQG-UHFFFAOYSA-N 0 0 250.704 3.529 10 0 CHAERN Fc1cc(NCCc2ccccn2)ccc1Cl ZINC000042580003 174804972 /nfs/dbraw/zinc/80/49/72/174804972.db2.gz RXTGPCJLFIBJPY-UHFFFAOYSA-N 0 0 250.704 3.529 10 0 CHAERN C[C@H]1CCCC[C@H]1N(C)c1ccc2scnc2c1N ZINC000042603128 174817663 /nfs/dbraw/zinc/81/76/63/174817663.db2.gz CODXFODMSZYTRD-WDEREUQCSA-N 0 0 275.421 3.893 10 0 CHAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc2scnc2c1N ZINC000042603123 174817754 /nfs/dbraw/zinc/81/77/54/174817754.db2.gz CODXFODMSZYTRD-MNOVXSKESA-N 0 0 275.421 3.893 10 0 CHAERN CCCCN(c1ccc(C(N)=S)cc1)[C@H](C)CC ZINC000042610414 174823739 /nfs/dbraw/zinc/82/37/39/174823739.db2.gz WKZKHKUDBXHGDX-GFCCVEGCSA-N 0 0 264.438 3.726 10 0 CHAERN CC(=O)n1ccc2cc(Cl)cc(Br)c21 ZINC000042689390 174837085 /nfs/dbraw/zinc/83/70/85/174837085.db2.gz RWFUEEUCTCXQFE-UHFFFAOYSA-N 0 0 272.529 3.717 10 0 CHAERN Cc1ccsc1[C@H](O)c1ccc(OC(F)F)cc1 ZINC000042731015 174859188 /nfs/dbraw/zinc/85/91/88/174859188.db2.gz WFMPTMCOEUEMAC-LLVKDONJSA-N 0 0 270.300 3.740 10 0 CHAERN O[C@H]1CCCC[C@H]1Cc1ccc(Br)s1 ZINC000043658209 175085698 /nfs/dbraw/zinc/08/56/98/175085698.db2.gz IUPUXHFFSUBVHT-WPRPVWTQSA-N 0 0 275.211 3.604 10 0 CHAERN Cc1ccc(OCc2cc(Br)cs2)c(N)c1 ZINC000043686629 175094545 /nfs/dbraw/zinc/09/45/45/175094545.db2.gz FDQNOROYHJRXPN-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN CCCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043826646 175114832 /nfs/dbraw/zinc/11/48/32/175114832.db2.gz ILQFGASTRYEGPJ-QWRGUYRKSA-N 0 0 265.319 3.804 10 0 CHAERN Cc1cc(C)c([C@H](O)CN2CCc3ccccc32)c(C)c1 ZINC000044113595 175140977 /nfs/dbraw/zinc/14/09/77/175140977.db2.gz SFIAWODWDQPXCT-GOSISDBHSA-N 0 0 281.399 3.708 10 0 CHAERN CCCc1ccc([C@H](O)CN2CCc3ccccc32)cc1 ZINC000044113607 175141286 /nfs/dbraw/zinc/14/12/86/175141286.db2.gz IJDXKIUDLHMTEH-LJQANCHMSA-N 0 0 281.399 3.735 10 0 CHAERN Brc1cccc(OC2CCCCC2)n1 ZINC000044116904 175141915 /nfs/dbraw/zinc/14/19/15/175141915.db2.gz ZSQBTTSZHOFWNJ-UHFFFAOYSA-N 0 0 256.143 3.556 10 0 CHAERN Clc1cc(-c2cncs2)nc(-c2ccccc2)n1 ZINC000044119276 175142151 /nfs/dbraw/zinc/14/21/51/175142151.db2.gz SXXCBVQEVYZZNU-UHFFFAOYSA-N 0 0 273.748 3.921 10 0 CHAERN COc1ccccc1-c1ccc(Br)o1 ZINC000044121001 175142532 /nfs/dbraw/zinc/14/25/32/175142532.db2.gz UFNDOCXRAGKUBU-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN CC(=O)NC1C[C@@H](c2ccccc2)O[C@H](c2ccccc2)C1 ZINC000044137363 175145992 /nfs/dbraw/zinc/14/59/92/175145992.db2.gz GMMGIJDSULCMGY-OALUTQOASA-N 0 0 295.382 3.784 10 0 CHAERN C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CCS1 ZINC000171580313 335071680 /nfs/dbraw/zinc/07/16/80/335071680.db2.gz JJRNVJGFMCAKOL-QMMMGPOBSA-N 0 0 290.215 3.571 10 0 CHAERN COc1ccc2c(c1)O[C@@H](c1ccc(C)cc1)CC2=O ZINC000045368381 175363461 /nfs/dbraw/zinc/36/34/61/175363461.db2.gz JVZDRFASOQJJTF-MRXNPFEDSA-N 0 0 268.312 3.710 10 0 in-vivo CHAERN CCc1nc(-c2ccc(Cl)cc2)[nH]c(=S)c1C ZINC000045956336 175389091 /nfs/dbraw/zinc/38/90/91/175389091.db2.gz MCFMHEFYCVKLCS-UHFFFAOYSA-N 0 0 264.781 3.957 10 0 CHAERN Cc1cc(Cl)ccc1OCC(=O)c1cccs1 ZINC000048101374 175420092 /nfs/dbraw/zinc/42/00/92/175420092.db2.gz AGZLVCADNJNVHK-UHFFFAOYSA-N 0 0 266.749 3.972 10 0 CHAERN CC[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000070709334 176002778 /nfs/dbraw/zinc/00/27/78/176002778.db2.gz XJQCLDHWYBXVDC-NSHDSACASA-N 0 0 265.784 3.676 10 0 CHAERN Fc1ccc(Cn2nccc2-c2ccccc2)cc1 ZINC000071193439 176075569 /nfs/dbraw/zinc/07/55/69/176075569.db2.gz VLGFFGXLVFRAEC-UHFFFAOYSA-N 0 0 252.292 3.738 10 0 CHAERN C[C@@H]1CCC[C@H]1n1c(=S)[nH]nc1-c1ccccc1 ZINC000071208499 176081269 /nfs/dbraw/zinc/08/12/69/176081269.db2.gz ABONAPYROSHPMC-ZYHUDNBSSA-N 0 0 259.378 3.969 10 0 CHAERN C[C@H](Cc1cccs1)Nc1ccc2scnc2c1N ZINC000071270128 176103798 /nfs/dbraw/zinc/10/37/98/176103798.db2.gz ALELKDAWRJOJGI-SECBINFHSA-N 0 0 289.429 3.983 10 0 CHAERN Clc1nc2ccnn2c(Cl)c1-c1ccccc1 ZINC000071476502 176187189 /nfs/dbraw/zinc/18/71/89/176187189.db2.gz VZZKXKSQXBRWCO-UHFFFAOYSA-N 0 0 264.115 3.703 10 0 CHAERN CCOc1ccc2[nH]cc(C(=O)C3CCCC3)c2c1 ZINC000071487650 176189731 /nfs/dbraw/zinc/18/97/31/176189731.db2.gz KSCRSLCPUKQEKN-UHFFFAOYSA-N 0 0 257.333 3.940 10 0 CHAERN Nc1ccnc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000071595289 176218046 /nfs/dbraw/zinc/21/80/46/176218046.db2.gz IOHBFMJBBAYAMP-UHFFFAOYSA-N 0 0 263.300 3.518 10 0 CHAERN Cc1cccc(-c2scnc2Br)c1 ZINC000072192324 176336553 /nfs/dbraw/zinc/33/65/53/176336553.db2.gz HWIUJQZFPATVDN-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Cc1cccc(-c2ncsc2Br)c1 ZINC000072192147 176336598 /nfs/dbraw/zinc/33/65/98/176336598.db2.gz NYZLPNBGDBHWOQ-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN COc1cccc(-c2cncc(Br)c2)c1 ZINC000072192746 176336634 /nfs/dbraw/zinc/33/66/34/176336634.db2.gz LOUJXUAPVIYRNE-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN N[C@@H](c1ccc(Cc2ccccc2)cc1)C(F)(F)F ZINC000072195632 176337606 /nfs/dbraw/zinc/33/76/06/176337606.db2.gz ROLIVWKCDFLXIS-AWEZNQCLSA-N 0 0 265.278 3.840 10 0 CHAERN COc1ccccc1-c1ccnc(Nc2ccccc2)n1 ZINC000072443513 176403937 /nfs/dbraw/zinc/40/39/37/176403937.db2.gz MOTRXYWVOASZOM-UHFFFAOYSA-N 0 0 277.327 3.896 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)sc2C)o1 ZINC000072706975 176424345 /nfs/dbraw/zinc/42/43/45/176424345.db2.gz ZMNCVEGPCCQCMZ-SNVBAGLBSA-N 0 0 263.362 3.757 10 0 CHAERN CC(C)(C)OC(=O)Nc1cccc(Br)c1F ZINC000075926103 176830363 /nfs/dbraw/zinc/83/03/63/176830363.db2.gz JUOBTFMEQFYGLH-UHFFFAOYSA-N 0 0 290.132 3.935 10 0 CHAERN Cc1nc(N2CCCCCC2)sc1Br ZINC000076436977 177024874 /nfs/dbraw/zinc/02/48/74/177024874.db2.gz YIXADODLUOFLFK-UHFFFAOYSA-N 0 0 275.215 3.594 10 0 CHAERN Cc1ccccc1N(C)c1ncc(N)cc1Br ZINC000076539647 177035569 /nfs/dbraw/zinc/03/55/69/177035569.db2.gz FUUOGWXIJLQSNF-UHFFFAOYSA-N 0 0 292.180 3.503 10 0 CHAERN O=C(c1c[nH]c2cc(F)ccc21)N1CCC[C@H]1c1ccco1 ZINC000192943178 227396726 /nfs/dbraw/zinc/39/67/26/227396726.db2.gz OSGWCLDWDYJVJW-HNNXBMFYSA-N 0 0 298.317 3.877 10 0 CHAERN C[C@H](Cc1cccc(F)c1)Nc1ccnc(C2CC2)n1 ZINC000301289618 227500800 /nfs/dbraw/zinc/50/08/00/227500800.db2.gz OGPMYLKMJZFKLQ-LLVKDONJSA-N 0 0 271.339 3.536 10 0 CHAERN C[C@H]1CC(c2noc([C@H]3CCCC(=O)N3)n2)C[C@H](C)C1 ZINC000329598801 227632448 /nfs/dbraw/zinc/63/24/48/227632448.db2.gz PSRFPNJHOLIOKD-CKYFFXLPSA-N 0 0 277.368 3.791 10 0 CHAERN Cc1nc(CNc2ncnc3c(C)cccc23)c(C)s1 ZINC000301826543 227694335 /nfs/dbraw/zinc/69/43/35/227694335.db2.gz FELUNRDXAYMQQK-UHFFFAOYSA-N 0 0 284.388 3.624 10 0 CHAERN FC1(F)CCC[C@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206458 228066114 /nfs/dbraw/zinc/06/61/14/228066114.db2.gz DGLLMAQNVMEVIW-QWHCGFSZSA-N 0 0 298.381 3.594 10 0 CHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330227100 228073094 /nfs/dbraw/zinc/07/30/94/228073094.db2.gz BVYNHYQRCPHITO-SWLSCSKDSA-N 0 0 297.358 3.748 10 0 CHAERN C[C@@H]1C[C@@H](c2nc(-c3cocn3)no2)CC(C)(C)C1 ZINC000333214154 228193290 /nfs/dbraw/zinc/19/32/90/228193290.db2.gz QHYHCWVTQFGGST-NXEZZACHSA-N 0 0 261.325 3.654 10 0 CHAERN C[C@H]1C[C@H](c2noc(-c3cnc(C4CC4)nc3)n2)C[C@@H](C)C1 ZINC000333233422 228194547 /nfs/dbraw/zinc/19/45/47/228194547.db2.gz YOOUOJZKSHEJMA-PJXYFTJBSA-N 0 0 298.390 3.944 10 0 CHAERN Cn1cc(-c2nc(C3(C)CC3)no2)c(C2CCCCC2)n1 ZINC000333245351 228194638 /nfs/dbraw/zinc/19/46/38/228194638.db2.gz QUBQWIJDRQDVAU-UHFFFAOYSA-N 0 0 286.379 3.569 10 0 CHAERN Cc1coc(-c2cc(NC(=O)N3CC4(CC4)C3)ccc2C)n1 ZINC000333310163 228196999 /nfs/dbraw/zinc/19/69/99/228196999.db2.gz DRBMHMXDJJPRTA-UHFFFAOYSA-N 0 0 297.358 3.586 10 0 CHAERN CCC[C@@H](CC)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000187871161 260063478 /nfs/dbraw/zinc/06/34/78/260063478.db2.gz KGJWRXUOBIFZNN-IUODEOHRSA-N 0 0 290.407 3.648 10 0 CHAERN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2 ZINC000037323219 260087764 /nfs/dbraw/zinc/08/77/64/260087764.db2.gz AANXMRSXRJZZAO-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN CC(=O)c1ccc(N[C@H]2c3cc(C)ccc3C[C@H]2C)nc1 ZINC000180318805 260098385 /nfs/dbraw/zinc/09/83/85/260098385.db2.gz AAIHANSGCWVFJE-KZULUSFZSA-N 0 0 280.371 3.938 10 0 CHAERN C[C@H]1C[C@@H]1c1ccc(CN[C@@H]2COc3ccccc32)o1 ZINC000070070220 260151323 /nfs/dbraw/zinc/15/13/23/260151323.db2.gz YNCOSWVPXLTNBB-TUKIKUTGSA-N 0 0 269.344 3.626 10 0 CHAERN FC(F)(F)c1ccc(N[C@H]2COc3ccccc32)nc1 ZINC000070199017 260153994 /nfs/dbraw/zinc/15/39/94/260153994.db2.gz NLKHXHBXECKECY-NSHDSACASA-N 0 0 280.249 3.646 10 0 CHAERN COc1ccc2c(c1)CCC[C@H]2Nc1cnccc1C ZINC000071412938 260162212 /nfs/dbraw/zinc/16/22/12/260162212.db2.gz IEHHFKZLSIUSLE-MRXNPFEDSA-N 0 0 268.360 3.888 10 0 CHAERN Cc1nccc(C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000086957343 260211096 /nfs/dbraw/zinc/21/10/96/260211096.db2.gz IKOGRBYWQCMSJJ-HUUCEWRRSA-N 0 0 275.440 3.870 10 0 CHAERN CCCc1csc(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000310655665 260223189 /nfs/dbraw/zinc/22/31/89/260223189.db2.gz HTWRBMNLSCXIBU-UHFFFAOYSA-N 0 0 269.410 3.715 10 0 CHAERN CC(=O)Nc1ccc(NCC2CCC(C)CC2)cc1 ZINC000089575441 260237622 /nfs/dbraw/zinc/23/76/22/260237622.db2.gz ZJKHURJRYXBNQR-UHFFFAOYSA-N 0 0 260.381 3.883 10 0 CHAERN CC1CCC(CNc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000089576710 260237786 /nfs/dbraw/zinc/23/77/86/260237786.db2.gz SJJHTCROVBKNLI-UHFFFAOYSA-N 0 0 288.370 3.645 10 0 CHAERN CCCn1ccc(CNc2cccc(-n3cccn3)c2)c1 ZINC000091011834 260264847 /nfs/dbraw/zinc/26/48/47/260264847.db2.gz JZLZKNQAUKHROE-UHFFFAOYSA-N 0 0 280.375 3.696 10 0 CHAERN CCn1cccc1CNc1ccc(NC(C)=O)c(Cl)c1 ZINC000091024001 260265260 /nfs/dbraw/zinc/26/52/60/260265260.db2.gz YKQVGQYRMAPZDL-UHFFFAOYSA-N 0 0 291.782 3.732 10 0 CHAERN CCn1cccc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000091024607 260265220 /nfs/dbraw/zinc/26/52/20/260265220.db2.gz JACDHQDXURHXAV-UHFFFAOYSA-N 0 0 285.391 3.715 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cs1 ZINC000408153717 260297385 /nfs/dbraw/zinc/29/73/85/260297385.db2.gz LIRKGXSFULBTTK-HNCHTBHHSA-N 0 0 295.452 3.636 10 0 CHAERN CC(C)[C@@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000126403956 260351629 /nfs/dbraw/zinc/35/16/29/260351629.db2.gz MUAKUVJGSYASCS-HTQZYQBOSA-N 0 0 277.231 3.601 10 0 CHAERN Cc1cc(Cl)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629999 260376925 /nfs/dbraw/zinc/37/69/25/260376925.db2.gz LYMPQPWXXWYLPB-YUTCNCBUSA-N 0 0 265.784 3.874 10 0 CHAERN COC[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128973179 260380467 /nfs/dbraw/zinc/38/04/67/260380467.db2.gz LUQPBNAIWDRGRK-LSDHHAIUSA-N 0 0 277.408 3.549 10 0 CHAERN Cc1cc2c(N[C@@H](C)c3ccccc3C)nccn2n1 ZINC000129309233 260385244 /nfs/dbraw/zinc/38/52/44/260385244.db2.gz PECGYBTYVLDBLD-ZDUSSCGKSA-N 0 0 266.348 3.519 10 0 CHAERN CC[C@@H](Nc1ncns1)c1cccc(Cl)c1 ZINC000133000101 260512515 /nfs/dbraw/zinc/51/25/15/260512515.db2.gz MPPXFNBTVRGQNX-SNVBAGLBSA-N 0 0 253.758 3.755 10 0 CHAERN CC(C)COC1CCN(C(=O)C2CCCCCC2)CC1 ZINC000101817261 260963528 /nfs/dbraw/zinc/96/35/28/260963528.db2.gz CHOKXTJSASDPGB-UHFFFAOYSA-N 0 0 281.440 3.620 10 0 CHAERN CC1(C)C[C@@H](NC(=O)Nc2ccncc2)c2ccccc2O1 ZINC000152102417 261059779 /nfs/dbraw/zinc/05/97/79/261059779.db2.gz GQGVOMIQJPNUSE-CQSZACIVSA-N 0 0 297.358 3.506 10 0 CHAERN FC(F)(F)c1nnc(N[C@H]2CCc3ccccc32)s1 ZINC000153399193 261077816 /nfs/dbraw/zinc/07/78/16/261077816.db2.gz DAYPHGYLGUOSSE-VIFPVBQESA-N 0 0 285.294 3.656 10 0 CHAERN Cc1ccncc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000154510444 261092436 /nfs/dbraw/zinc/09/24/36/261092436.db2.gz CURWZYQVMFFFTH-UONOGXRCSA-N 0 0 258.365 3.545 10 0 CHAERN Fc1cccc(CN2C[C@@H]3CCC[C@@H]32)c1Br ZINC000449036750 261117349 /nfs/dbraw/zinc/11/73/49/261117349.db2.gz VJQISOWFPYCNDK-CABZTGNLSA-N 0 0 284.172 3.573 10 0 CHAERN O=C(Nc1ccsc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000157228252 261142454 /nfs/dbraw/zinc/14/24/54/261142454.db2.gz QPBCXYWRJDRQCP-DTWKUNHWSA-N 0 0 292.326 3.991 10 0 CHAERN O=C(Nc1ccc(O)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000173374675 261163324 /nfs/dbraw/zinc/16/33/24/261163324.db2.gz YXIRVQWWKHUCDJ-HUUCEWRRSA-N 0 0 259.349 3.547 10 0 CHAERN C[C@H](CC(=O)N[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000158559671 261167173 /nfs/dbraw/zinc/16/71/73/261167173.db2.gz QHXZAAUAJCFPPW-GBIKHYSHSA-N 0 0 285.309 3.724 10 0 CHAERN CCn1ccnc1CSCc1ccccc1OC(F)F ZINC000175279458 261218465 /nfs/dbraw/zinc/21/84/65/261218465.db2.gz LFLVXOSQZOMPNE-UHFFFAOYSA-N 0 0 298.358 3.938 10 0 CHAERN CCC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000175677079 261240392 /nfs/dbraw/zinc/24/03/92/261240392.db2.gz DBMFXRHAFUOWIK-QWHCGFSZSA-N 0 0 293.357 3.765 10 0 CHAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103403968 261282117 /nfs/dbraw/zinc/28/21/17/261282117.db2.gz MECMCCIIAWMEDH-CHWSQXEVSA-N 0 0 295.448 3.647 10 0 CHAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103403965 261282123 /nfs/dbraw/zinc/28/21/23/261282123.db2.gz MECMCCIIAWMEDH-QWHCGFSZSA-N 0 0 295.448 3.647 10 0 CHAERN COc1ccsc1C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000105959910 261318963 /nfs/dbraw/zinc/31/89/63/261318963.db2.gz GTHPAEXXHNQCKI-JTQLQIEISA-N 0 0 291.372 3.716 10 0 CHAERN Cc1nc(CNc2cncc(Br)c2)c(C)s1 ZINC000301828905 261342025 /nfs/dbraw/zinc/34/20/25/261342025.db2.gz GLRLXDRTRJZNIW-UHFFFAOYSA-N 0 0 298.209 3.530 10 0 CHAERN CCn1ccnc1C[S@](=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000177294657 261345197 /nfs/dbraw/zinc/34/51/97/261345197.db2.gz FFFXTXLCFAWVTI-WLRWDXFRSA-N 0 0 296.823 3.566 10 0 CHAERN CC(C)c1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164629951 261355947 /nfs/dbraw/zinc/35/59/47/261355947.db2.gz QIPBMRKZEKOQPC-XJKSGUPXSA-N 0 0 284.407 3.587 10 0 CHAERN CCCCc1ccc([C@@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164653906 261356566 /nfs/dbraw/zinc/35/65/66/261356566.db2.gz VLMZENDYCPKEMH-PBHICJAKSA-N 0 0 298.434 3.806 10 0 CHAERN CCn1c(C)cc(C(=O)COc2c(F)cccc2F)c1C ZINC000105669675 261360676 /nfs/dbraw/zinc/36/06/76/261360676.db2.gz VAUIWNDVJOSMOV-UHFFFAOYSA-N 0 0 293.313 3.665 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCCCO2)cc1 ZINC000178393312 261388746 /nfs/dbraw/zinc/38/87/46/261388746.db2.gz UVZVTQPPZJHGFX-XJKSGUPXSA-N 0 0 275.392 3.556 10 0 CHAERN CC(C)c1nnc(CN[C@H](c2ccccc2)C2CCC2)n1C ZINC000170920061 261451168 /nfs/dbraw/zinc/45/11/68/261451168.db2.gz CLRHHAJDHUMDBR-QGZVFWFLSA-N 0 0 298.434 3.570 10 0 CHAERN CC(C)n1ccc(CN2CCCC[C@@H]2c2nccs2)n1 ZINC000172013198 261490754 /nfs/dbraw/zinc/49/07/54/261490754.db2.gz FCBZFZUBAIZDOB-CQSZACIVSA-N 0 0 290.436 3.648 10 0 CHAERN CCn1c(C)nnc1CN(c1cc(C)ccc1C)C(C)C ZINC000172072316 261491696 /nfs/dbraw/zinc/49/16/96/261491696.db2.gz JGRLHVZHVUFACJ-UHFFFAOYSA-N 0 0 286.423 3.638 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccccc2O)o1 ZINC000173749880 261543952 /nfs/dbraw/zinc/54/39/52/261543952.db2.gz CDZWVIHYDZSHNS-OAHLLOKOSA-N 0 0 299.370 3.590 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc[nH]c2C)o1 ZINC000177062975 261684301 /nfs/dbraw/zinc/68/43/01/261684301.db2.gz OHQMZLUNGRMWKZ-AWEZNQCLSA-N 0 0 272.348 3.592 10 0 CHAERN CC(C)[C@H](O)CC(=O)Nc1ccccc1Nc1ccccc1 ZINC000180797712 261874458 /nfs/dbraw/zinc/87/44/58/261874458.db2.gz OQEJERAEFWSJTQ-QGZVFWFLSA-N 0 0 298.386 3.776 10 0 CHAERN CCn1c(C)nnc1CSC[C@H](C)c1ccccc1 ZINC000183294806 261970250 /nfs/dbraw/zinc/97/02/50/261970250.db2.gz BOZWJMLOVNNIQJ-LBPRGKRZSA-N 0 0 275.421 3.643 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000184906826 262033240 /nfs/dbraw/zinc/03/32/40/262033240.db2.gz QKXHUJFKFAFXCI-GETOMWPZSA-N 0 0 273.376 3.619 10 0 CHAERN CCc1csc(N[C@@H](C)c2csc(C)n2)n1 ZINC000309936912 262058068 /nfs/dbraw/zinc/05/80/68/262058068.db2.gz AIPAEEDVGHAMNZ-ZETCQYMHSA-N 0 0 253.396 3.644 10 0 CHAERN CCn1c(C)nnc1CSCc1ccc(C(F)F)cc1 ZINC000185638153 262063695 /nfs/dbraw/zinc/06/36/95/262063695.db2.gz LLDPZHREGFNSGP-UHFFFAOYSA-N 0 0 297.374 3.977 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(F)cc2C)C12CCOCC2 ZINC000186473309 262094633 /nfs/dbraw/zinc/09/46/33/262094633.db2.gz GYOJSUAADYMFBV-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN Clc1ccc2c(c1)N[C@@H]1SC=C3C=CC=C[C@@H]3N21 ZINC000498049480 262218609 /nfs/dbraw/zinc/21/86/09/262218609.db2.gz WCIGKVLMDLDGSI-JSGCOSHPSA-N 0 0 274.776 3.981 10 0 CHAERN CC(C)C[C@H](C)Nc1ccccc1N1CCCC1=O ZINC000020147419 262231953 /nfs/dbraw/zinc/23/19/53/262231953.db2.gz HGALMYOPFUJWMU-ZDUSSCGKSA-N 0 0 260.381 3.660 10 0 CHAERN C[C@@H](COCc1ccccc1)N=c1[nH]c2ccccc2s1 ZINC000390695229 262241890 /nfs/dbraw/zinc/24/18/90/262241890.db2.gz FFBKKHNVJSJTIV-ZDUSSCGKSA-N 0 0 298.411 3.735 10 0 CHAERN Cc1cc(C)cc(-c2nc(-c3ccc(O)cc3)no2)c1 ZINC000020432783 262249735 /nfs/dbraw/zinc/24/97/35/262249735.db2.gz HRLXXNDQDRCNII-UHFFFAOYSA-N 0 0 266.300 3.726 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(F)c(F)c1 ZINC000054107624 262253889 /nfs/dbraw/zinc/25/38/89/262253889.db2.gz UMJLLZZOANZANS-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000171930433 335085563 /nfs/dbraw/zinc/08/55/63/335085563.db2.gz DVLQFNNLUMNLFF-VHSXEESVSA-N 0 0 271.763 3.948 10 0 CHAERN CC[C@H]1CCN(C(=O)N[C@H](C)c2ccc(Cl)s2)C1 ZINC000093152036 262996966 /nfs/dbraw/zinc/99/69/66/262996966.db2.gz ICEDUKGKRNQOEY-ZJUUUORDSA-N 0 0 286.828 3.904 10 0 CHAERN CC[C@@H]1CCCC[C@H]1c1noc([C@H]2CCCC(=O)N2)n1 ZINC000328876928 263886215 /nfs/dbraw/zinc/88/62/15/263886215.db2.gz KIMPRWUFKAFNOK-IJLUTSLNSA-N 0 0 277.368 3.935 10 0 CHAERN FC(F)(F)CCCCNc1nc2ccccc2o1 ZINC000128953353 264305286 /nfs/dbraw/zinc/30/52/86/264305286.db2.gz FMPHIPZPKSAKKN-UHFFFAOYSA-N 0 0 258.243 3.972 10 0 CHAERN CCc1oc(C(=O)N[C@@H](C)c2cc(C)oc2C)cc1C ZINC000130390470 264358371 /nfs/dbraw/zinc/35/83/71/264358371.db2.gz ZCDPMWLAONPEEK-NSHDSACASA-N 0 0 275.348 3.851 10 0 CHAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccco1 ZINC000090802924 264412304 /nfs/dbraw/zinc/41/23/04/264412304.db2.gz VRAUCGDXRIGXLP-MRVPVSSYSA-N 0 0 256.227 3.867 10 0 CHAERN C[C@H]1CC(c2noc(C3CCOCC3)n2)C[C@H](C)C1 ZINC000335803822 265210621 /nfs/dbraw/zinc/21/06/21/265210621.db2.gz PXIRWTADZQRDOH-GHMZBOCLSA-N 0 0 264.369 3.503 10 0 CHAERN CC1(C)C[C@@H](Nc2cccc(-n3cccn3)c2)C(C)(C)O1 ZINC000094423646 265243060 /nfs/dbraw/zinc/24/30/60/265243060.db2.gz HHRTZOWLMNOAOH-OAHLLOKOSA-N 0 0 285.391 3.630 10 0 CHAERN O=C(c1cc2ccccn2c1)N1CCC[C@H]1c1ccco1 ZINC000116043966 267120924 /nfs/dbraw/zinc/12/09/24/267120924.db2.gz MVWCPFVQKWJZLN-HNNXBMFYSA-N 0 0 280.327 3.510 10 0 CHAERN O=C(c1cccc2c1CCC2)N1CCC[C@@H]1c1ccco1 ZINC000116047307 267121019 /nfs/dbraw/zinc/12/10/19/267121019.db2.gz VQEIYOBOBIYATF-MRXNPFEDSA-N 0 0 281.355 3.746 10 0 CHAERN O=C([C@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116045551 267121040 /nfs/dbraw/zinc/12/10/40/267121040.db2.gz USKBJVVKTBRKCE-GJZGRUSLSA-N 0 0 297.354 3.509 10 0 CHAERN O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116046419 267121052 /nfs/dbraw/zinc/12/10/52/267121052.db2.gz AZMBDSJRFUWVNJ-HNNXBMFYSA-N 0 0 287.334 3.715 10 0 CHAERN Clc1cc(N2CCC(c3nccs3)CC2)ccn1 ZINC000367975386 267132180 /nfs/dbraw/zinc/13/21/80/267132180.db2.gz XRAPDEYNHXXNQC-UHFFFAOYSA-N 0 0 279.796 3.576 10 0 CHAERN O=C(c1cc(O)ccc1Cl)N1CCC12CCCCC2 ZINC000368146020 267148408 /nfs/dbraw/zinc/14/84/08/267148408.db2.gz DGWWUBHRVLBONA-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116415633 267151928 /nfs/dbraw/zinc/15/19/28/267151928.db2.gz GZCVRJFHTGQNPX-HNNXBMFYSA-N 0 0 284.359 3.635 10 0 CHAERN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116406044 267151993 /nfs/dbraw/zinc/15/19/93/267151993.db2.gz JSVNIMADSJQFCU-CQSZACIVSA-N 0 0 270.332 3.957 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116413379 267152223 /nfs/dbraw/zinc/15/22/23/267152223.db2.gz CCYAUHQELDTCJK-DZGCQCFKSA-N 0 0 284.359 3.887 10 0 CHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000117642966 267217627 /nfs/dbraw/zinc/21/76/27/267217627.db2.gz YHSZRVYVDZQGNR-APPDUMDISA-N 0 0 292.338 3.671 10 0 CHAERN CS[C@H](C)CNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000119105238 267301427 /nfs/dbraw/zinc/30/14/27/267301427.db2.gz MNHBYSSEPGORNK-ZOWXZIJZSA-N 0 0 292.448 3.676 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119132293 267303686 /nfs/dbraw/zinc/30/36/86/267303686.db2.gz WTZWMPRJBJDTIH-MRXNPFEDSA-N 0 0 290.382 3.645 10 0 CHAERN CCCCOC[C@H](O)COc1c(Cl)cccc1Cl ZINC000193388470 267311126 /nfs/dbraw/zinc/31/11/26/267311126.db2.gz HFFHBMASPCCTOP-JTQLQIEISA-N 0 0 293.190 3.550 10 0 CHAERN O=C(c1nc2ccccc2s1)N1CCC[C@@H]1c1ccco1 ZINC000123090284 267987193 /nfs/dbraw/zinc/98/71/93/267987193.db2.gz JJGFBGYAOANTDK-GFCCVEGCSA-N 0 0 298.367 3.867 10 0 CHAERN CSCCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123413605 268052430 /nfs/dbraw/zinc/05/24/30/268052430.db2.gz PNDYDPUJSIXHLM-OAHLLOKOSA-N 0 0 277.433 3.569 10 0 CHAERN COCCC1(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCC1 ZINC000158058462 327623451 /nfs/dbraw/zinc/62/34/51/327623451.db2.gz DJZAHTRQFGPCKY-LBPRGKRZSA-N 0 0 295.810 3.724 10 0 CHAERN CC(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000185419328 327839560 /nfs/dbraw/zinc/83/95/60/327839560.db2.gz CSEHQNIQXZTOPG-QWHCGFSZSA-N 0 0 280.437 3.879 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1CCCC12CCCC2 ZINC000311604121 327921086 /nfs/dbraw/zinc/92/10/86/327921086.db2.gz DDFODOFPAHQHON-UHFFFAOYSA-N 0 0 299.201 3.937 10 0 CHAERN Cc1cscc1NCc1cncc(Br)c1 ZINC000334508451 327972559 /nfs/dbraw/zinc/97/25/59/327972559.db2.gz DPXNBAKOWQENCH-UHFFFAOYSA-N 0 0 283.194 3.826 10 0 CHAERN Cc1cccc(NC(=S)NC(=O)C2CCCCC2)c1C ZINC000012403328 326832122 /nfs/dbraw/zinc/83/21/22/326832122.db2.gz UQKVUYHPAPUYHA-UHFFFAOYSA-N 0 0 290.432 3.697 10 0 CHAERN C[C@@H](NC(=O)N1CCC(C)(C)C1)c1ccc(Cl)s1 ZINC000091229850 327167158 /nfs/dbraw/zinc/16/71/58/327167158.db2.gz UCWLMSNKHYDRRK-SECBINFHSA-N 0 0 286.828 3.904 10 0 CHAERN CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000116522944 327308485 /nfs/dbraw/zinc/30/84/85/327308485.db2.gz GNRYYDOMBZPCCF-LLVKDONJSA-N 0 0 252.358 3.527 10 0 CHAERN CCCCOc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)c(C)c1 ZINC000150746791 327370271 /nfs/dbraw/zinc/37/02/71/327370271.db2.gz PQSJKQMLRMYFMM-CZUORRHYSA-N 0 0 291.391 3.680 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)c2nccs2)CC(C)(C)C1 ZINC000183059571 327403054 /nfs/dbraw/zinc/40/30/54/327403054.db2.gz GMYHCIMAEMFGMZ-GHMZBOCLSA-N 0 0 266.410 3.568 10 0 CHAERN C[C@H](NC(=O)Nc1cccnn1)c1ccc2ccccc2c1 ZINC000151805655 327508714 /nfs/dbraw/zinc/50/87/14/327508714.db2.gz MITHLTOGJRVJLU-LBPRGKRZSA-N 0 0 292.342 3.513 10 0 CHAERN C[C@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2)CCS1 ZINC000171567274 327547114 /nfs/dbraw/zinc/54/71/14/327547114.db2.gz HIAWDHHYQKJRLS-NSHDSACASA-N 0 0 297.851 3.582 10 0 CHAERN Clc1cc(Cl)c2cnn(Cc3ccccc3)c2n1 ZINC000521401533 328682110 /nfs/dbraw/zinc/68/21/10/328682110.db2.gz IVZOCQJLUYUREC-UHFFFAOYSA-N 0 0 278.142 3.786 10 0 CHAERN Cc1ccc(F)c(C(=O)Nc2ccc3c(c2)CCCN3)c1 ZINC000054107655 328686586 /nfs/dbraw/zinc/68/65/86/328686586.db2.gz RRZALQXUXSBLPY-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(F)cc3)c21 ZINC000103129782 328766040 /nfs/dbraw/zinc/76/60/40/328766040.db2.gz REKOSNVSGZYXPV-UHFFFAOYSA-N 0 0 296.345 3.588 10 0 CHAERN CCCCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000042238899 328766485 /nfs/dbraw/zinc/76/64/85/328766485.db2.gz AETHWOFUJYHYBV-SNVBAGLBSA-N 0 0 284.197 3.817 10 0 CHAERN COC[C@@H](C)C(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000103360453 328767966 /nfs/dbraw/zinc/76/79/66/328767966.db2.gz UBLVJBSEDBMHOK-MRXNPFEDSA-N 0 0 297.398 3.811 10 0 CHAERN CC[C@H](NC(=O)c1csc(Br)c1)C(C)C ZINC000042550813 328769368 /nfs/dbraw/zinc/76/93/68/328769368.db2.gz NZZSIYYSZYAQKO-VIFPVBQESA-N 0 0 290.226 3.675 10 0 CHAERN Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116039662 328933800 /nfs/dbraw/zinc/93/38/00/328933800.db2.gz ZPIYRQDWRVIHFJ-OAHLLOKOSA-N 0 0 299.370 3.639 10 0 CHAERN O=C(/C=C/C1CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000117805441 328943669 /nfs/dbraw/zinc/94/36/69/328943669.db2.gz JVRHKVYNZNHQRR-SCOAYWHSSA-N 0 0 287.407 3.600 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CC=CCC3)C2)cc1 ZINC000122303310 329001044 /nfs/dbraw/zinc/00/10/44/329001044.db2.gz RVPWQOFPMXBHEJ-BHYGNILZSA-N 0 0 299.414 3.756 10 0 CHAERN CCc1oc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1C ZINC000123360037 329008988 /nfs/dbraw/zinc/00/89/88/329008988.db2.gz VQGUAXATYYMIGN-NSHDSACASA-N 0 0 261.321 3.543 10 0 CHAERN C[C@H](NCc1nc(-c2cccs2)no1)c1cccs1 ZINC000171111489 329074631 /nfs/dbraw/zinc/07/46/31/329074631.db2.gz SBGMYKYYCDNQMQ-VIFPVBQESA-N 0 0 291.401 3.710 10 0 CHAERN C[C@@H](CC1CCCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000172090585 329080948 /nfs/dbraw/zinc/08/09/48/329080948.db2.gz OTNPTKWCIHAWNH-BBRMVZONSA-N 0 0 287.403 3.843 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C2=CCCCO2)o1 ZINC000173191425 329143257 /nfs/dbraw/zinc/14/32/57/329143257.db2.gz COCAARUZVNWGGI-AWEZNQCLSA-N 0 0 289.375 3.590 10 0 CHAERN O=C(CCCC1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000173105974 329144938 /nfs/dbraw/zinc/14/49/38/329144938.db2.gz BFEFPCZZKDGYMA-INIZCTEOSA-N 0 0 287.403 3.987 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000173416834 329147028 /nfs/dbraw/zinc/14/70/28/329147028.db2.gz KCSPBCYRNNCPIM-NSHDSACASA-N 0 0 292.429 3.533 10 0 CHAERN CCSCC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000174275321 329156314 /nfs/dbraw/zinc/15/63/14/329156314.db2.gz KTZJTCUSORSJHN-OLZOCXBDSA-N 0 0 296.436 3.658 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(C)c(Cl)c2)o1 ZINC000219483725 329164323 /nfs/dbraw/zinc/16/43/23/329164323.db2.gz YOPRLVQEJGLXRI-NSHDSACASA-N 0 0 264.756 3.796 10 0 CHAERN Cc1nccn1Cc1ncc(-c2ccccc2Cl)o1 ZINC000175530690 329169592 /nfs/dbraw/zinc/16/95/92/329169592.db2.gz GHWRNRGZQBCZSD-UHFFFAOYSA-N 0 0 273.723 3.548 10 0 CHAERN CCC1(C(=O)N2CCC(c3nc(C)cs3)CC2)CCC1 ZINC000175950630 329171404 /nfs/dbraw/zinc/17/14/04/329171404.db2.gz ACEKXAOGXHSJEZ-UHFFFAOYSA-N 0 0 292.448 3.738 10 0 CHAERN CCCn1ccc2cc(NC(=O)[C@@H]3CC[C@@H](C)O3)ccc21 ZINC000178184434 329194221 /nfs/dbraw/zinc/19/42/21/329194221.db2.gz YAPAGICHSMRYJU-WBMJQRKESA-N 0 0 286.375 3.557 10 0 CHAERN CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCCCCCO)c2C1 ZINC000179262334 329206843 /nfs/dbraw/zinc/20/68/43/329206843.db2.gz NNNJLCBPFWEPCL-HNNXBMFYSA-N 0 0 290.451 3.621 10 0 CHAERN CCc1ccnc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000180235751 329218864 /nfs/dbraw/zinc/21/88/64/329218864.db2.gz UQHLHENSQOCTDJ-UHFFFAOYSA-N 0 0 298.411 3.635 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2nccs2)CC(C)(C)C1 ZINC000180595791 329221046 /nfs/dbraw/zinc/22/10/46/329221046.db2.gz DYQDXXJURQYJRG-VXGBXAGGSA-N 0 0 294.464 3.957 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)o1 ZINC000181244799 329227586 /nfs/dbraw/zinc/22/75/86/329227586.db2.gz DZKNDNOYCPYLFD-BDJLRTHQSA-N 0 0 269.344 3.560 10 0 CHAERN CC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000181272089 329228730 /nfs/dbraw/zinc/22/87/30/329228730.db2.gz BIGCBLQAITYLLA-RISCZKNCSA-N 0 0 288.391 3.685 10 0 CHAERN CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000181479890 329233614 /nfs/dbraw/zinc/23/36/14/329233614.db2.gz YTUHRVKPNJZDMI-CXAGYDPISA-N 0 0 297.402 3.662 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C3CC3)on1)[C@H](C)C2 ZINC000182217619 329241054 /nfs/dbraw/zinc/24/10/54/329241054.db2.gz HNCCITMLEKKZHF-PIGZYNQJSA-N 0 0 296.370 3.524 10 0 CHAERN CC(C)OCCCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000182335382 329241880 /nfs/dbraw/zinc/24/18/80/329241880.db2.gz FBYNBFVEPZBKGY-HZPDHXFCSA-N 0 0 281.440 3.524 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2)o1 ZINC000182500096 329242551 /nfs/dbraw/zinc/24/25/51/329242551.db2.gz VWLMHXWIKFCNLI-HNNXBMFYSA-N 0 0 285.343 3.661 10 0 CHAERN Cc1cccc(-c2noc(CN[C@@H](C)c3cccs3)n2)c1 ZINC000182548237 329242985 /nfs/dbraw/zinc/24/29/85/329242985.db2.gz BRZYYEKUWJUYCC-LBPRGKRZSA-N 0 0 299.399 3.957 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2ccncc2)n1 ZINC000183442117 329247784 /nfs/dbraw/zinc/24/77/84/329247784.db2.gz KLLYAXXFDIGEIL-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)COC(C)(C)C)c2ccccc21 ZINC000183507704 329248410 /nfs/dbraw/zinc/24/84/10/329248410.db2.gz ATHDLWANTICPEQ-IUODEOHRSA-N 0 0 275.392 3.556 10 0 CHAERN CCc1nc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000183714178 329249754 /nfs/dbraw/zinc/24/97/54/329249754.db2.gz AUPGAYYCFBTDTG-NWDGAFQWSA-N 0 0 294.464 3.784 10 0 CHAERN CCc1cnc(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000184066129 329255545 /nfs/dbraw/zinc/25/55/45/329255545.db2.gz BKLRIDHFIAAPQQ-NEPJUHHUSA-N 0 0 294.464 3.784 10 0 CHAERN C[C@H](CCc1ccccc1)Nc1cccc2c1OCC[C@H]2O ZINC000184568381 329260052 /nfs/dbraw/zinc/26/00/52/329260052.db2.gz WTEOGMZKLHGJCM-RDTXWAMCSA-N 0 0 297.398 3.936 10 0 CHAERN Cc1cnc([C@H](C)Nc2nc3ccccc3s2)o1 ZINC000226547842 329260960 /nfs/dbraw/zinc/26/09/60/329260960.db2.gz BSBURMLXKRIGND-VIFPVBQESA-N 0 0 259.334 3.766 10 0 CHAERN CC[C@H](NC(=O)N1CCCC2(CC2)C1)c1cccs1 ZINC000185211181 329268909 /nfs/dbraw/zinc/26/89/09/329268909.db2.gz ABLPCASOUBHOHA-LBPRGKRZSA-N 0 0 278.421 3.785 10 0 CHAERN Cc1ccccc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185866424 329333772 /nfs/dbraw/zinc/33/37/72/329333772.db2.gz OQLILCMTSOKBFG-UHFFFAOYSA-N 0 0 289.382 3.742 10 0 CHAERN CN1Cc2cc(N[C@@H]3CCCC3(C)C)ccc2NC1=O ZINC000186534205 329344839 /nfs/dbraw/zinc/34/48/39/329344839.db2.gz VCHVICVZVZQHOB-CQSZACIVSA-N 0 0 273.380 3.655 10 0 CHAERN CC(C)CC[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548509 329345055 /nfs/dbraw/zinc/34/50/55/329345055.db2.gz AMYYUALXVHXOEZ-LBPRGKRZSA-N 0 0 275.396 3.901 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186548458 329345180 /nfs/dbraw/zinc/34/51/80/329345180.db2.gz SZKPGVHSWXKXNJ-SNVBAGLBSA-N 0 0 287.388 3.899 10 0 CHAERN Cc1ccc([C@H](C)Nc2nc(C(F)(F)F)ns2)o1 ZINC000228775383 329346043 /nfs/dbraw/zinc/34/60/43/329346043.db2.gz ACUCUJIGWPFZHH-LURJTMIESA-N 0 0 277.271 3.631 10 0 CHAERN Fc1ccc(F)c([C@@H]2CCCN(Cc3cncs3)C2)c1 ZINC000188043083 329363819 /nfs/dbraw/zinc/36/38/19/329363819.db2.gz SHDLSOQACOQEMX-LLVKDONJSA-N 0 0 294.370 3.801 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(Cl)cc2C)o1 ZINC000231901061 329381443 /nfs/dbraw/zinc/38/14/43/329381443.db2.gz ZUZXJOXHEIVFIC-NSHDSACASA-N 0 0 264.756 3.796 10 0 CHAERN O=C(Nc1ccc2ccccc2c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000189837909 329389459 /nfs/dbraw/zinc/38/94/59/329389459.db2.gz GAZPZKDAUMJMDO-ZACQAIPSSA-N 0 0 296.370 3.529 10 0 CHAERN CCC1(C(=O)N[C@H]2CCOc3c(C)cccc32)CCC1 ZINC000189942021 329390472 /nfs/dbraw/zinc/39/04/72/329390472.db2.gz BZNLJGNIHXELFL-AWEZNQCLSA-N 0 0 273.376 3.515 10 0 CHAERN COc1ccc([C@H](C)Nc2cccc(Cl)n2)cc1OC ZINC000149795180 329424025 /nfs/dbraw/zinc/42/40/25/329424025.db2.gz VHDMAMGMLVIPTA-JTQLQIEISA-N 0 0 292.766 3.925 10 0 CHAERN CCCCCCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525503 329533766 /nfs/dbraw/zinc/53/37/66/329533766.db2.gz SPGKIZNGDOEYAR-UHFFFAOYSA-N 0 0 273.336 3.646 10 0 CHAERN CC(C)CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117719641 329546380 /nfs/dbraw/zinc/54/63/80/329546380.db2.gz UBNMMTZHEZKSDN-UHFFFAOYSA-N 0 0 263.406 3.800 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000124456498 329570676 /nfs/dbraw/zinc/57/06/76/329570676.db2.gz CVBYCUAVLYMGIP-CQSZACIVSA-N 0 0 273.307 3.704 10 0 CHAERN CSC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125200354 329579211 /nfs/dbraw/zinc/57/92/11/329579211.db2.gz HWWUTLGVFXWPBM-TYNCELHUSA-N 0 0 277.433 3.740 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC(F)(F)F)o1 ZINC000127667087 329601548 /nfs/dbraw/zinc/60/15/48/329601548.db2.gz MDTMJJRBNNHDHO-JTQLQIEISA-N 0 0 275.270 3.594 10 0 CHAERN CCC(CC)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000128883095 329612512 /nfs/dbraw/zinc/61/25/12/329612512.db2.gz FHYBIZKYLIMPKR-HNNXBMFYSA-N 0 0 291.439 3.527 10 0 CHAERN C[C@H](NC(=O)Nc1cccnc1)c1ccc(F)c(Cl)c1 ZINC000048954842 329632373 /nfs/dbraw/zinc/63/23/73/329632373.db2.gz BZHAWIWIVAYRLH-VIFPVBQESA-N 0 0 293.729 3.757 10 0 CHAERN Cc1nccnc1N[C@@H](C)c1cccc(Br)c1 ZINC000214384050 329657063 /nfs/dbraw/zinc/65/70/63/329657063.db2.gz FVLVSFAPSOZGIG-VIFPVBQESA-N 0 0 292.180 3.721 10 0 CHAERN CC(C)=C(F)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000136083613 329670392 /nfs/dbraw/zinc/67/03/92/329670392.db2.gz BDWOBKYHAFTAQW-OAHLLOKOSA-N 0 0 273.307 3.749 10 0 CHAERN CC[C@@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000067047068 329850397 /nfs/dbraw/zinc/85/03/97/329850397.db2.gz SEILNXHGUQUAPY-UONOGXRCSA-N 0 0 294.464 3.921 10 0 CHAERN COc1ccccc1[C@H]1CCCN1C(=O)N[C@H](C)C(C)C ZINC000069260393 329854167 /nfs/dbraw/zinc/85/41/67/329854167.db2.gz OSNQZGYHSLCFAV-UKRRQHHQSA-N 0 0 290.407 3.586 10 0 CHAERN Cc1nc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)sc1C ZINC000075335960 329866574 /nfs/dbraw/zinc/86/65/74/329866574.db2.gz MMFDAFURANZPEV-KBPBESRZSA-N 0 0 292.448 3.593 10 0 CHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccnc(F)c1 ZINC000247417545 329880437 /nfs/dbraw/zinc/88/04/37/329880437.db2.gz NRJQVBVHZGJETJ-XJKCOSOUSA-N 0 0 298.361 3.627 10 0 CHAERN Cc1ccc(CCNC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116555023 329920795 /nfs/dbraw/zinc/92/07/95/329920795.db2.gz GQWAWFCSOMRKDT-INIZCTEOSA-N 0 0 298.386 3.677 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccccc3)C2)cc1 ZINC000078186302 329947277 /nfs/dbraw/zinc/94/72/77/329947277.db2.gz GREBCCXKIWDFMU-YOEHRIQHSA-N 0 0 295.382 3.713 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCOC(C)(C)C2)CC(C)(C)C1 ZINC000161673436 329951320 /nfs/dbraw/zinc/95/13/20/329951320.db2.gz GYPWJMRAYXZZPT-MGPQQGTHSA-N 0 0 281.440 3.523 10 0 CHAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)C(C)C ZINC000162352296 330002909 /nfs/dbraw/zinc/00/29/09/330002909.db2.gz YIHIGXNXMHOLHB-GFCCVEGCSA-N 0 0 258.365 3.559 10 0 CHAERN CC1(NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCC1 ZINC000162359813 330003632 /nfs/dbraw/zinc/00/36/32/330003632.db2.gz LUCJNDYYMQTHQO-CYBMUJFWSA-N 0 0 288.391 3.531 10 0 CHAERN CCC(CC)(C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C)C(=O)[O-] ZINC000263058616 330041308 /nfs/dbraw/zinc/04/13/08/330041308.db2.gz MDHBVJGLNPISBM-CZUORRHYSA-N 0 0 289.419 3.709 10 0 CHAERN CCCC[C@H]([NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263396046 330054068 /nfs/dbraw/zinc/05/40/68/330054068.db2.gz GQBZLBBYKDZGPT-RISCZKNCSA-N 0 0 283.799 3.504 10 0 CHAERN Cc1cncc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000079727108 330056756 /nfs/dbraw/zinc/05/67/56/330056756.db2.gz XQGZTBHNBFJTTG-SNVBAGLBSA-N 0 0 292.741 3.674 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)C[C@@H]2CCCCO2)c2ccccc21 ZINC000162638163 330090454 /nfs/dbraw/zinc/09/04/54/330090454.db2.gz SLWXDYXGEPONHQ-KEYYUXOJSA-N 0 0 287.403 3.700 10 0 CHAERN Cc1ncsc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162776727 330114665 /nfs/dbraw/zinc/11/46/65/330114665.db2.gz CQMONNFHVPVXJY-HZMBPMFUSA-N 0 0 286.400 3.820 10 0 CHAERN CCC(CC)(CC)NC(=O)c1cccc2c1CCCN2 ZINC000086645453 332895060 /nfs/dbraw/zinc/89/50/60/332895060.db2.gz CUHFVXARSXLZKU-UHFFFAOYSA-N 0 0 274.408 3.743 10 0 CHAERN Cc1csc([C@H](C)N[C@@H](C)c2csc(C)n2)n1 ZINC000080270272 330116174 /nfs/dbraw/zinc/11/61/74/330116174.db2.gz NQHQFCZNHAIVOB-IUCAKERBSA-N 0 0 267.423 3.628 10 0 CHAERN CC(C)c1ccc(NC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000080467189 330132189 /nfs/dbraw/zinc/13/21/89/330132189.db2.gz CHTRAOABRFOJRQ-OAHLLOKOSA-N 0 0 283.375 3.523 10 0 CHAERN O=C1CCc2ccc(-c3ccc4c(c3)CCOC4)cc21 ZINC000527589596 330264698 /nfs/dbraw/zinc/26/46/98/330264698.db2.gz ILIATIGZCJBSJJ-UHFFFAOYSA-N 0 0 264.324 3.555 10 0 CHAERN Cc1noc(C)c1CN[C@@H](c1ccco1)c1ccccc1 ZINC000105839287 330329249 /nfs/dbraw/zinc/32/92/49/330329249.db2.gz ZFNADFVLGYPZBK-QGZVFWFLSA-N 0 0 282.343 3.764 10 0 CHAERN CC(C)c1ccc([C@H](C)NCC(=O)OC(C)(C)C)cc1 ZINC000105888370 330330595 /nfs/dbraw/zinc/33/05/95/330330595.db2.gz KLXBLGBIYYBEOP-ZDUSSCGKSA-N 0 0 277.408 3.802 10 0 CHAERN Fc1cc(CN2C[C@H]3CCC[C@@H]32)ccc1Br ZINC000533081560 330331615 /nfs/dbraw/zinc/33/16/15/330331615.db2.gz BHHNPQMXSBENTC-MFKMUULPSA-N 0 0 284.172 3.573 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCCO2)cc1 ZINC000046762380 330356264 /nfs/dbraw/zinc/35/62/64/330356264.db2.gz SCVMCMVXVLWVOI-YOEHRIQHSA-N 0 0 289.419 3.631 10 0 CHAERN CC1(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000119108913 330370280 /nfs/dbraw/zinc/37/02/80/330370280.db2.gz VVILYDSBJQOYDJ-GJZGRUSLSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@H](NC(=O)N1[C@H](C)CC[C@H]1C)c1cccc(Cl)c1 ZINC000119127676 330371154 /nfs/dbraw/zinc/37/11/54/330371154.db2.gz DTVGOYJVPQWIHT-UTUOFQBUSA-N 0 0 280.799 3.983 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000119444828 330374367 /nfs/dbraw/zinc/37/43/67/330374367.db2.gz LXEDLIANHURGBP-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN CSc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000119467785 330375506 /nfs/dbraw/zinc/37/55/06/330375506.db2.gz YMMAFMYWPBYGEA-JTQLQIEISA-N 0 0 293.363 3.940 10 0 CHAERN C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818414 330379077 /nfs/dbraw/zinc/37/90/77/330379077.db2.gz GEEUVDMCSVEJAH-RWEMILLDSA-N 0 0 274.191 3.821 10 0 CHAERN CCC[C@](C)(O)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000119813794 330380100 /nfs/dbraw/zinc/38/01/00/330380100.db2.gz AMSDOYYBBOCVOV-ACJLOTCBSA-N 0 0 285.387 3.568 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536950542 330382232 /nfs/dbraw/zinc/38/22/32/330382232.db2.gz SPOZWPVVSGQMHS-UKRRQHHQSA-N 0 0 290.407 3.820 10 0 CHAERN CC(C)n1cc(O[C@@H]2CCC[C@@H]3C[C@@H]3CCC[C@H]2O)cn1 ZINC000536956258 330383221 /nfs/dbraw/zinc/38/32/21/330383221.db2.gz XWDZVMXEJSXYQR-XOSAIJSUSA-N 0 0 292.423 3.563 10 0 CHAERN CC(=O)c1nnc(-c2ccc(C)cc2)cc1C(F)(F)F ZINC000536961107 330384288 /nfs/dbraw/zinc/38/42/88/330384288.db2.gz XFJJRAOCDQMBHI-UHFFFAOYSA-N 0 0 280.249 3.673 10 0 CHAERN CCOc1cc(C)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635757 330491909 /nfs/dbraw/zinc/49/19/09/330491909.db2.gz SBCVJICSTIZGOV-MAZHCROVSA-N 0 0 275.392 3.619 10 0 CHAERN C[C@H](NC(=O)NCCC1=CCCC1)c1ccc(F)c(F)c1 ZINC000162896779 330810836 /nfs/dbraw/zinc/81/08/36/330810836.db2.gz VPLZCEJBIFZPGU-NSHDSACASA-N 0 0 294.345 3.825 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(C)ccc1Br ZINC000158435296 330830628 /nfs/dbraw/zinc/83/06/28/330830628.db2.gz MGEDPRYPMCZLOP-MFKMUULPSA-N 0 0 296.208 3.676 10 0 CHAERN O=C(c1cc2ccncc2s1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000451872235 331045658 /nfs/dbraw/zinc/04/56/58/331045658.db2.gz XEHFEWFGEPUILN-HNNXBMFYSA-N 0 0 298.411 3.701 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1N[C@H]1CCOC[C@@H]1C ZINC000195077476 331137549 /nfs/dbraw/zinc/13/75/49/331137549.db2.gz KQTRQEXITYVMDI-JQWIXIFHSA-N 0 0 273.298 3.851 10 0 CHAERN CCC1CCC(NC(=O)N(C)C2CCCC2)CC1 ZINC000172312563 335100425 /nfs/dbraw/zinc/10/04/25/335100425.db2.gz YHDSKSUWRRDALW-UHFFFAOYSA-N 0 0 252.402 3.539 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1 ZINC000173477640 332972514 /nfs/dbraw/zinc/97/25/14/332972514.db2.gz IUXQHTBHFMFYID-WFASDCNBSA-N 0 0 283.396 3.976 10 0 CHAERN CC(C)(C)[C@@H](O)CSc1ccc2c(c1)CCC2 ZINC000304618839 332973140 /nfs/dbraw/zinc/97/31/40/332973140.db2.gz RFHGFMUDJMCHIG-AWEZNQCLSA-N 0 0 250.407 3.674 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000175014533 333013128 /nfs/dbraw/zinc/01/31/28/333013128.db2.gz ZPQLNDYHGXQTEX-GFCCVEGCSA-N 0 0 278.355 3.967 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000175860083 333035542 /nfs/dbraw/zinc/03/55/42/333035542.db2.gz RCLJQZSPXSVWTK-ZJUUUORDSA-N 0 0 284.762 3.734 10 0 CHAERN CCC1(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)CCC1 ZINC000175867136 333035885 /nfs/dbraw/zinc/03/58/85/333035885.db2.gz WNZIUHJNENTQCB-SNVBAGLBSA-N 0 0 282.334 3.658 10 0 CHAERN CCC1(NC(=O)N[C@@H](C)c2ccccc2C)CCC1 ZINC000175866760 333035902 /nfs/dbraw/zinc/03/59/02/333035902.db2.gz QVUJKFYWXHKDST-ZDUSSCGKSA-N 0 0 260.381 3.688 10 0 CHAERN CCC1(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000175913169 333037492 /nfs/dbraw/zinc/03/74/92/333037492.db2.gz KOVVUVYTSKHRPJ-WDEREUQCSA-N 0 0 292.345 3.739 10 0 CHAERN CCc1cc(=O)[nH]c(CN[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000177505055 333060028 /nfs/dbraw/zinc/06/00/28/333060028.db2.gz ONGKHELSRWIMPB-CYBMUJFWSA-N 0 0 299.418 3.719 10 0 CHAERN CCc1cc(CC)nc(N[C@@H](C)c2cccs2)n1 ZINC000310777076 333061302 /nfs/dbraw/zinc/06/13/02/333061302.db2.gz OBNAFHNWDNKBKD-JTQLQIEISA-N 0 0 261.394 3.836 10 0 CHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cc2ccccc2s1 ZINC000178239241 333069870 /nfs/dbraw/zinc/06/98/70/333069870.db2.gz FGUAEHSISBPVGJ-NTZNESFSSA-N 0 0 289.400 3.646 10 0 CHAERN C[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000178386315 333071970 /nfs/dbraw/zinc/07/19/70/333071970.db2.gz BTPNWRBWMYKRRP-ZJUUUORDSA-N 0 0 251.757 3.563 10 0 CHAERN Cc1ccc(CO)cc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182833121 333117821 /nfs/dbraw/zinc/11/78/21/333117821.db2.gz ARUIVEIQYRSIJO-DOMZBBRYSA-N 0 0 289.419 3.888 10 0 CHAERN CCC[C@H]1C[C@@H](C(=O)NC2CCC(CC)CC2)CCO1 ZINC000182928729 333118431 /nfs/dbraw/zinc/11/84/31/333118431.db2.gz YAGQMFFDEOPIAD-GRAKBVBRSA-N 0 0 281.440 3.667 10 0 CHAERN Cc1nccnc1[C@H](C)Nc1cccc2c1CCCC2 ZINC000219217280 333144475 /nfs/dbraw/zinc/14/44/75/333144475.db2.gz PHLNBNYFRHUOFX-ZDUSSCGKSA-N 0 0 267.376 3.837 10 0 CHAERN COCc1cccc(CC(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000186185130 333156468 /nfs/dbraw/zinc/15/64/68/333156468.db2.gz IIEASMSXTLFRJZ-HNNXBMFYSA-N 0 0 297.398 3.561 10 0 CHAERN O[C@@]12CCCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000219823303 333157681 /nfs/dbraw/zinc/15/76/81/333157681.db2.gz YJZWWWKUPGXRDL-XJKSGUPXSA-N 0 0 297.801 3.606 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc3ccccc3o2)o1 ZINC000220908432 333170475 /nfs/dbraw/zinc/17/04/75/333170475.db2.gz NRLSNAHDOJEMCK-NSHDSACASA-N 0 0 256.305 3.580 10 0 CHAERN CC/C=C/COCc1ccccc1Br ZINC000379420356 333188930 /nfs/dbraw/zinc/18/89/30/333188930.db2.gz VBWISDYFLMSNJM-ZZXKWVIFSA-N 0 0 255.155 3.932 10 0 CHAERN CCc1cccc(CSCc2nnc(C(C)C)n2C)c1 ZINC000190059034 333202802 /nfs/dbraw/zinc/20/28/02/333202802.db2.gz MHTDPSNGXNUWQZ-UHFFFAOYSA-N 0 0 289.448 3.934 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000190366407 333206005 /nfs/dbraw/zinc/20/60/05/333206005.db2.gz VLQGUPUHSSGQEV-LLVKDONJSA-N 0 0 296.361 3.683 10 0 CHAERN CC(C)=CCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000190451946 333207037 /nfs/dbraw/zinc/20/70/37/333207037.db2.gz SRGXIKXLAIYOIK-NSHDSACASA-N 0 0 266.772 3.666 10 0 CHAERN CC(C)c1ccc(CN(C)C(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190553736 333208063 /nfs/dbraw/zinc/20/80/63/333208063.db2.gz IWABKTJRLWENMK-YOEHRIQHSA-N 0 0 289.419 3.584 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc2ccccc2c1 ZINC000190621126 333208984 /nfs/dbraw/zinc/20/89/84/333208984.db2.gz LRQRYNPSEDLNRG-PMUMKWKESA-N 0 0 297.398 3.832 10 0 CHAERN CCCN(C(=O)[C@H]1CCCO[C@H]1C)c1ccc(Cl)cc1 ZINC000191572268 333221555 /nfs/dbraw/zinc/22/15/55/333221555.db2.gz MCUBSSBQSWPPEE-WFASDCNBSA-N 0 0 295.810 3.898 10 0 CHAERN Cc1c(N[C@@H]2CCOC[C@H]2C)cccc1C(F)(F)F ZINC000195078141 333244932 /nfs/dbraw/zinc/24/49/32/333244932.db2.gz OTKSZPLEVKXBJG-BXKDBHETSA-N 0 0 273.298 3.851 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1Br ZINC000230041658 333312547 /nfs/dbraw/zinc/31/25/47/333312547.db2.gz ZMPDTTNXDGTOCL-ZJUUUORDSA-N 0 0 282.181 3.824 10 0 CHAERN CC[C@](C)(CCO)Nc1ncc(C(F)(F)F)cc1Cl ZINC000230216347 333315856 /nfs/dbraw/zinc/31/58/56/333315856.db2.gz DOEAMPXLHLRFGE-LLVKDONJSA-N 0 0 296.720 3.717 10 0 CHAERN CCCC[C@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000230488129 333318832 /nfs/dbraw/zinc/31/88/32/333318832.db2.gz VOHOCMZFDYBFDR-FZMZJTMJSA-N 0 0 283.799 3.722 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)OC2CCCCCC2)o1 ZINC000123361457 333479874 /nfs/dbraw/zinc/47/98/74/333479874.db2.gz UHUAULLIVMNQHP-ZIAGYGMSSA-N 0 0 293.407 3.893 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccn(C2CCCC2)n1 ZINC000123438150 333523203 /nfs/dbraw/zinc/52/32/03/333523203.db2.gz MXOZKBAWHNHWAL-AWEZNQCLSA-N 0 0 297.402 3.798 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccoc2)o1 ZINC000126125348 333591001 /nfs/dbraw/zinc/59/10/01/333591001.db2.gz VYWYUWYLQPBEMT-OAHLLOKOSA-N 0 0 287.359 3.731 10 0 CHAERN CC[C@H](SC)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000127600060 333632667 /nfs/dbraw/zinc/63/26/67/333632667.db2.gz HUFOVIJDPCLAST-PELKAZGASA-N 0 0 289.803 3.798 10 0 CHAERN O=C(NCc1cccs1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000129889578 333797801 /nfs/dbraw/zinc/79/78/01/333797801.db2.gz KEVZGKWSQIXIFD-UONOGXRCSA-N 0 0 263.406 3.581 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2cccc3c2CCCN3)[C@H](C)C1 ZINC000070115661 333799479 /nfs/dbraw/zinc/79/94/79/333799479.db2.gz RBMJYODYQKGMCS-IOASZLSFSA-N 0 0 286.419 3.599 10 0 CHAERN Cc1cccc(N(C)Cc2cccc3c2NCC3)c1 ZINC000130539532 333850973 /nfs/dbraw/zinc/85/09/73/333850973.db2.gz LCAATYRCDQMRBN-UHFFFAOYSA-N 0 0 252.361 3.599 10 0 CHAERN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2C)CCS1 ZINC000073414571 333972296 /nfs/dbraw/zinc/97/22/96/333972296.db2.gz CPQMWYLWTYRQDM-ZIAGYGMSSA-N 0 0 292.448 3.593 10 0 CHAERN CC(C)COc1ccc([C@H](C)NC(=O)N2CCCC2)cc1 ZINC000133381336 334039693 /nfs/dbraw/zinc/03/96/93/334039693.db2.gz WLRULVDCKVOWHY-AWEZNQCLSA-N 0 0 290.407 3.588 10 0 CHAERN CCCc1noc(Cn2ccc3ccc(Cl)cc32)n1 ZINC000134487073 334091997 /nfs/dbraw/zinc/09/19/97/334091997.db2.gz SKNMBZDPVPNNGE-UHFFFAOYSA-N 0 0 275.739 3.679 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC000078537615 334135292 /nfs/dbraw/zinc/13/52/92/334135292.db2.gz OJNNTMWGQQKRBI-QMMMGPOBSA-N 0 0 260.164 3.768 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000080428871 334171273 /nfs/dbraw/zinc/17/12/73/334171273.db2.gz HYMVFNWPOSZZKN-YJBOKZPZSA-N 0 0 288.435 3.509 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2cccc(-c3nnco3)c2)C1 ZINC000080428719 334171311 /nfs/dbraw/zinc/17/13/11/334171311.db2.gz OUCQDKLTBCKXOZ-RISCZKNCSA-N 0 0 257.337 3.727 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000080453326 334171631 /nfs/dbraw/zinc/17/16/31/334171631.db2.gz GAAUZSYRBJBQKU-QWRGUYRKSA-N 0 0 276.405 3.721 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(C)c(NC(C)=O)c2)C1 ZINC000080454858 334171676 /nfs/dbraw/zinc/17/16/76/334171676.db2.gz HRLPEOYNKQRYKD-KBPBESRZSA-N 0 0 260.381 3.944 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cccc(-c3n[nH]c(C)n3)c2)C1 ZINC000080458644 334171914 /nfs/dbraw/zinc/17/19/14/334171914.db2.gz IHFJWXIZKKSLMQ-IUODEOHRSA-N 0 0 270.380 3.771 10 0 CHAERN CC[C@H]1CC[C@H](Nc2cccc(-c3n[nH]c(C)n3)c2)C1 ZINC000080458640 334171935 /nfs/dbraw/zinc/17/19/35/334171935.db2.gz IHFJWXIZKKSLMQ-WFASDCNBSA-N 0 0 270.380 3.771 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000080491560 334172051 /nfs/dbraw/zinc/17/20/51/334172051.db2.gz AOMRWBYNQOVECR-YPMHNXCESA-N 0 0 258.365 3.562 10 0 CHAERN CCn1ccnc1C[S@@](=O)Cc1cccc2ccccc21 ZINC000081526863 334194258 /nfs/dbraw/zinc/19/42/58/334194258.db2.gz MMDKXASIDMBANT-OAQYLSRUSA-N 0 0 298.411 3.505 10 0 CHAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cc2ccccc2s1 ZINC000245969594 334226245 /nfs/dbraw/zinc/22/62/45/334226245.db2.gz FGUAEHSISBPVGJ-WZRBSPASSA-N 0 0 289.400 3.646 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246108992 334233591 /nfs/dbraw/zinc/23/35/91/334233591.db2.gz RRHHGQOCLINNSI-UTUOFQBUSA-N 0 0 292.345 3.549 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000246545977 334263951 /nfs/dbraw/zinc/26/39/51/334263951.db2.gz QNRPTKNFLIVOAY-HERUPUMHSA-N 0 0 263.768 3.563 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246560624 334264259 /nfs/dbraw/zinc/26/42/59/334264259.db2.gz DWPYLMJIRPKQHC-QJPTWQEYSA-N 0 0 294.361 3.841 10 0 CHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H]1C[C@H]1C ZINC000246622106 334265678 /nfs/dbraw/zinc/26/56/78/334265678.db2.gz AANHBEPXFKMTEP-KFNAQCHYSA-N 0 0 274.408 3.590 10 0 CHAERN C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCCc3ccccc32)O1 ZINC000246802106 334269733 /nfs/dbraw/zinc/26/97/33/334269733.db2.gz VOOCELYBKAVPCS-UNEWFSDZSA-N 0 0 287.403 3.528 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C)cc1 ZINC000246810336 334270027 /nfs/dbraw/zinc/27/00/27/334270027.db2.gz LQEUXZIQFPCVEX-XOKHGSTOSA-N 0 0 271.404 3.924 10 0 CHAERN CCC(C)(C)NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000248268416 334297859 /nfs/dbraw/zinc/29/78/59/334297859.db2.gz PFVFUWVPTWCOJW-LBPRGKRZSA-N 0 0 296.842 3.638 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC(C)(C)C1 ZINC000248619647 334309257 /nfs/dbraw/zinc/30/92/57/334309257.db2.gz XRVZIQMMOPIZBC-LYYZXLFJSA-N 0 0 293.451 3.523 10 0 CHAERN CC[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248702300 334313998 /nfs/dbraw/zinc/31/39/98/334313998.db2.gz FUYPPJMSFLZYEH-IMJJTQAJSA-N 0 0 287.403 3.560 10 0 CHAERN Cc1cc(Cl)ccc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251041579 334354967 /nfs/dbraw/zinc/35/49/67/334354967.db2.gz LYMPQPWXXWYLPB-MRVWCRGKSA-N 0 0 265.784 3.874 10 0 CHAERN COc1ccc(Cl)c(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000251137378 334357099 /nfs/dbraw/zinc/35/70/99/334357099.db2.gz IJOJATFYKPFPBY-ZLKJLUDKSA-N 0 0 281.783 3.574 10 0 CHAERN CCC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000252733969 334388110 /nfs/dbraw/zinc/38/81/10/334388110.db2.gz XQLCAMGLBHVFHJ-DETPVDSQSA-N 0 0 283.362 3.509 10 0 CHAERN Cc1nsc(N[C@@H](C)c2ccccc2Br)n1 ZINC000266145120 334690502 /nfs/dbraw/zinc/69/05/02/334690502.db2.gz RTTAHTCJFYCNQR-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C(C1CC1)C1CC1 ZINC000163230462 334692414 /nfs/dbraw/zinc/69/24/14/334692414.db2.gz XYAKQOIKOJWKJJ-RYUDHWBXSA-N 0 0 289.341 3.660 10 0 CHAERN FC(F)c1nnc(N[C@H]2CCCc3ccccc32)s1 ZINC000268646035 334714261 /nfs/dbraw/zinc/71/42/61/334714261.db2.gz STUYRYVBBDTZKE-JTQLQIEISA-N 0 0 281.331 3.965 10 0 CHAERN Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000177088771 335358453 /nfs/dbraw/zinc/35/84/53/335358453.db2.gz RGRVQQHQEPJYHL-KBPBESRZSA-N 0 0 287.432 3.787 10 0 CHAERN Cc1ccccc1N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182534615 335825992 /nfs/dbraw/zinc/82/59/92/335825992.db2.gz ZCQCXIMGPYAICR-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN CC(C)c1nnc(CSc2ccc3ccccc3n2)n1C ZINC000194653937 336035998 /nfs/dbraw/zinc/03/59/98/336035998.db2.gz RWFYNPZNFIZUKO-UHFFFAOYSA-N 0 0 298.415 3.779 10 0 CHAERN CC(C)c1nnc(CNc2ccc(C(F)(F)F)cc2)n1C ZINC000194983266 336041876 /nfs/dbraw/zinc/04/18/76/336041876.db2.gz LVVDDMVVWBNWCM-UHFFFAOYSA-N 0 0 298.312 3.569 10 0 CHAERN CCn1c(C)nnc1CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000195056613 336043934 /nfs/dbraw/zinc/04/39/34/336043934.db2.gz VDPXACRQMPDPDK-GFCCVEGCSA-N 0 0 298.390 3.546 10 0 CHAERN Clc1cccnc1NCc1ccc2c(c1)CCCN2 ZINC000381492323 336066612 /nfs/dbraw/zinc/06/66/12/336066612.db2.gz QWEWUSIJWQYTFG-UHFFFAOYSA-N 0 0 273.767 3.705 10 0 CHAERN CC(C)CCN(C)c1ccc([C@H](C)O)cc1Cl ZINC000061695987 519650720 /nfs/dbraw/zinc/65/07/20/519650720.db2.gz GMFPLAAVVCFQKT-NSHDSACASA-N 0 0 255.789 3.876 10 0 CHAERN CCCNc1snnc1COc1ccc(Cl)cc1 ZINC000050830902 520204485 /nfs/dbraw/zinc/20/44/85/520204485.db2.gz KVMYXSPTLVFCGF-UHFFFAOYSA-N 0 0 283.784 3.592 10 0 CHAERN CCCN(c1nc(C(C)(C)C)c(CO)s1)C(C)C ZINC000055003145 521697720 /nfs/dbraw/zinc/69/77/20/521697720.db2.gz WJOFGHSLEDDHQF-UHFFFAOYSA-N 0 0 270.442 3.558 10 0 CHAERN C[C@@H]1CCN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]1C ZINC000301491062 534061955 /nfs/dbraw/zinc/06/19/55/534061955.db2.gz MYRUNZYASIZETE-VXGBXAGGSA-N 0 0 287.338 3.643 10 0 CHAERN C[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000301057218 534177792 /nfs/dbraw/zinc/17/77/92/534177792.db2.gz AHAAECHUYDHRPX-ZDUSSCGKSA-N 0 0 285.366 3.909 10 0 CHAERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000334779530 534182160 /nfs/dbraw/zinc/18/21/60/534182160.db2.gz CAIITBJUDVATEV-GWCFXTLKSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1noc(C)c1-c1noc(C=C2CCC(C)CC2)n1 ZINC000333213888 534318123 /nfs/dbraw/zinc/31/81/23/534318123.db2.gz KOPARBPARUGMHY-UHFFFAOYSA-N 0 0 273.336 3.935 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(Cl)nc(Cl)c1C=O ZINC000299889502 518839641 /nfs/dbraw/zinc/83/96/41/518839641.db2.gz KGHYPQBJFTUBDH-UHFFFAOYSA-N 0 0 291.134 3.548 10 0 CHAERN CC(C)(C)c1cccc(Oc2cccc(CO)n2)c1 ZINC000051042936 519056200 /nfs/dbraw/zinc/05/62/00/519056200.db2.gz CRZYKXWXHGPBHU-UHFFFAOYSA-N 0 0 257.333 3.664 10 0 CHAERN CC(C)(C)c1nc(C[C@@H](O)c2ccccc2)cs1 ZINC000051966453 519102908 /nfs/dbraw/zinc/10/29/08/519102908.db2.gz JXCYNOWQCZGLMP-CYBMUJFWSA-N 0 0 261.390 3.717 10 0 CHAERN CC(C)(CCOc1ccc2ccccc2c1)C(N)=S ZINC000057901698 519226179 /nfs/dbraw/zinc/22/61/79/519226179.db2.gz DVVDYLGVQAEDEZ-UHFFFAOYSA-N 0 0 273.401 3.921 10 0 CHAERN CC(=O)Cc1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000062770102 519437704 /nfs/dbraw/zinc/43/77/04/519437704.db2.gz KQWHYNZRTBSLSQ-UHFFFAOYSA-N 0 0 252.672 3.871 10 0 CHAERN CC(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129825161 519514241 /nfs/dbraw/zinc/51/42/41/519514241.db2.gz VSJUCHXPEVWXSI-AWEZNQCLSA-N 0 0 273.376 3.595 10 0 CHAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000086340275 519596148 /nfs/dbraw/zinc/59/61/48/519596148.db2.gz ANWXTLHTONYTNB-ZDUSSCGKSA-N 0 0 270.376 3.951 10 0 CHAERN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000155431420 519777689 /nfs/dbraw/zinc/77/76/89/519777689.db2.gz FQQLTCWHFMFNCX-ZWNOBZJWSA-N 0 0 297.782 3.633 10 0 CHAERN CC(C)n1cccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000161916508 520012838 /nfs/dbraw/zinc/01/28/38/520012838.db2.gz RZKKYFPEWWOQDQ-UHFFFAOYSA-N 0 0 294.398 3.999 10 0 CHAERN CCCN[C@@H](c1cc(Cl)ccc1Cl)c1ncccn1 ZINC000055224948 520016715 /nfs/dbraw/zinc/01/67/15/520016715.db2.gz XEGQBZPDWVZHEK-ZDUSSCGKSA-N 0 0 296.201 3.872 10 0 CHAERN CC(C)n1ccnc1CNc1cccc(F)c1Cl ZINC000290065198 520033636 /nfs/dbraw/zinc/03/36/36/520033636.db2.gz IXCJKZCJQKFUCM-UHFFFAOYSA-N 0 0 267.735 3.869 10 0 CHAERN CCCNc1ccccc1C(=O)N(CC)[C@@H](C)CC ZINC000050748005 520175163 /nfs/dbraw/zinc/17/51/63/520175163.db2.gz IWBBSHVUFMZOGL-ZDUSSCGKSA-N 0 0 262.397 3.769 10 0 CHAERN CCCNc1nc2ccccc2cc1COCCC ZINC000050832947 520189034 /nfs/dbraw/zinc/18/90/34/520189034.db2.gz QXYGVIVYQFIANL-UHFFFAOYSA-N 0 0 258.365 3.983 10 0 CHAERN CCCNc1ncccc1COc1cccc(F)c1 ZINC000052754554 520196641 /nfs/dbraw/zinc/19/66/41/520196641.db2.gz DLRASDXKNWHLQD-UHFFFAOYSA-N 0 0 260.312 3.622 10 0 CHAERN CCNc1cc(C(F)F)nc2c(COC)cccc12 ZINC000061629791 520265761 /nfs/dbraw/zinc/26/57/61/520265761.db2.gz AZNXKOIOOKFVRP-UHFFFAOYSA-N 0 0 266.291 3.751 10 0 CHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccs2)C12CCCC2 ZINC000150803656 520340954 /nfs/dbraw/zinc/34/09/54/520340954.db2.gz DELVZOADFIGNBZ-ZIAGYGMSSA-N 0 0 293.432 3.558 10 0 CHAERN CCNc1nc2c(cccc2COC)cc1C(C)C ZINC000063118870 520360532 /nfs/dbraw/zinc/36/05/32/520360532.db2.gz SHQRWHZWGVDMGC-UHFFFAOYSA-N 0 0 258.365 3.936 10 0 CHAERN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139064971 520417507 /nfs/dbraw/zinc/41/75/07/520417507.db2.gz NLHHRNLFTLLGNO-OLZOCXBDSA-N 0 0 273.380 3.610 10 0 CHAERN CCCOc1cccc(C(=O)c2ccc(CC)o2)c1 ZINC000061667460 520446012 /nfs/dbraw/zinc/44/60/12/520446012.db2.gz ZFALRLGJRIWTNK-UHFFFAOYSA-N 0 0 258.317 3.862 10 0 CHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1 ZINC000041174441 520512979 /nfs/dbraw/zinc/51/29/79/520512979.db2.gz SXWOPMQQVOUJJH-KRWDZBQOSA-N 0 0 295.382 3.679 10 0 CHAERN CCC[C@@H](C)c1nn(C)c(N)c1-c1cccc(C)c1 ZINC000055332110 520676473 /nfs/dbraw/zinc/67/64/73/520676473.db2.gz OMYAFSQCBVJYKK-GFCCVEGCSA-N 0 0 257.381 3.881 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](CCC)C(C)C)C1 ZINC000062751512 520829551 /nfs/dbraw/zinc/82/95/51/520829551.db2.gz BIJQQAKDNCCHNQ-RBSFLKMASA-N 0 0 269.429 3.776 10 0 CHAERN CCC[C@H](C)N(C)c1cc(Cl)ccc1C(N)=S ZINC000062788107 521035279 /nfs/dbraw/zinc/03/52/79/521035279.db2.gz UGJZHFLVSCEESW-VIFPVBQESA-N 0 0 270.829 3.599 10 0 CHAERN CCC(=CC(=O)N1CCCC[C@H]1c1nccs1)CC ZINC000128441037 521060297 /nfs/dbraw/zinc/06/02/97/521060297.db2.gz YBIHTDWINXCDEO-ZDUSSCGKSA-N 0 0 278.421 3.943 10 0 CHAERN CCC(C)(C)[C@@H](O)c1cc2c(cc1Cl)OCCCO2 ZINC000054404117 521362409 /nfs/dbraw/zinc/36/24/09/521362409.db2.gz QMMSREPKRWQHPG-AWEZNQCLSA-N 0 0 284.783 3.971 10 0 CHAERN CCOc1cccc(NCCOCCC(C)C)c1 ZINC000049565686 521398581 /nfs/dbraw/zinc/39/85/81/521398581.db2.gz FDNSKCFDZDSNOA-UHFFFAOYSA-N 0 0 251.370 3.560 10 0 CHAERN CCN(c1ncc(C(C)=O)s1)c1ccc(F)cc1 ZINC000054862895 521507483 /nfs/dbraw/zinc/50/74/83/521507483.db2.gz BAGQZVKSMBIZPS-UHFFFAOYSA-N 0 0 264.325 3.643 10 0 CHAERN CCCN(c1ccc([C@H](C)O)cc1Br)C1CC1 ZINC000061695228 521697121 /nfs/dbraw/zinc/69/71/21/521697121.db2.gz BOMQKIBMEZZNEL-JTQLQIEISA-N 0 0 298.224 3.881 10 0 CHAERN CC[C@H](C)OCc1ccc(OC)c(Br)c1 ZINC000049601204 521754358 /nfs/dbraw/zinc/75/43/58/521754358.db2.gz SKEVIEBVZLQMKL-VIFPVBQESA-N 0 0 273.170 3.773 10 0 CHAERN CC[C@@H](C)N(CC)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861992 522086641 /nfs/dbraw/zinc/08/66/41/522086641.db2.gz DODCIMCAJVUDGC-SNVBAGLBSA-N 0 0 280.437 3.923 10 0 CHAERN CCc1n[nH]c(=S)n1[C@H](C)c1ccc(Cl)cc1 ZINC000049526369 522132664 /nfs/dbraw/zinc/13/26/64/522132664.db2.gz YOLWWGCXFIMGOL-MRVPVSSYSA-N 0 0 267.785 3.766 10 0 CHAERN COC[C@@H](C)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000103391215 522169094 /nfs/dbraw/zinc/16/90/94/522169094.db2.gz MXSNRJOSGBOGSY-CYBMUJFWSA-N 0 0 289.400 3.564 10 0 CHAERN CCc1nc(CN2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156997732 522306560 /nfs/dbraw/zinc/30/65/60/522306560.db2.gz ZQDGEZQLLLXCOL-LLVKDONJSA-N 0 0 293.461 3.542 10 0 CHAERN CN(C)c1ncccc1N[C@H]1CCCc2sccc21 ZINC000061326861 522377272 /nfs/dbraw/zinc/37/72/72/522377272.db2.gz QIWRFMKWCSQCIK-LBPRGKRZSA-N 0 0 273.405 3.699 10 0 CHAERN CNc1c2c(nc3c(F)c(Cl)ccc31)CCC2 ZINC000050868501 522547292 /nfs/dbraw/zinc/54/72/92/522547292.db2.gz LRFMXPZYIPIBGD-UHFFFAOYSA-N 0 0 250.704 3.558 10 0 CHAERN CNc1ccc(C(=O)N[C@@H](C)c2ccsc2)cc1C ZINC000063058497 522593733 /nfs/dbraw/zinc/59/37/33/522593733.db2.gz SSHSNCZNBHWHNY-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN COc1cc(F)ccc1N[C@@H](C)c1scnc1C ZINC000049564329 522615801 /nfs/dbraw/zinc/61/58/01/522615801.db2.gz BPBGUFAJSCMIHP-VIFPVBQESA-N 0 0 266.341 3.772 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000050771097 522626443 /nfs/dbraw/zinc/62/64/43/522626443.db2.gz FYNGOGWVKCQBTM-QWRGUYRKSA-N 0 0 280.799 3.642 10 0 CHAERN CNc1nc(-c2ccc(Br)s2)nc(C)c1C ZINC000050865870 522674597 /nfs/dbraw/zinc/67/45/97/522674597.db2.gz XULHJGAFLUGSCK-UHFFFAOYSA-N 0 0 298.209 3.626 10 0 CHAERN CNc1nc(-c2ccc(Cl)s2)nc(C)c1C ZINC000050865836 522674649 /nfs/dbraw/zinc/67/46/49/522674649.db2.gz SKEDFXVJSVOMMJ-UHFFFAOYSA-N 0 0 253.758 3.517 10 0 CHAERN COc1cc(N[C@@H](C)c2cncs2)ccc1Cl ZINC000228047802 522760018 /nfs/dbraw/zinc/76/00/18/522760018.db2.gz JMXOPCWQJROSJW-QMMMGPOBSA-N 0 0 268.769 3.978 10 0 CHAERN COc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1Cl ZINC000228047233 522761765 /nfs/dbraw/zinc/76/17/65/522761765.db2.gz MJYVMANAAZWGRK-GDLCADMTSA-N 0 0 281.783 3.574 10 0 CHAERN CN(CC[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000054023645 522929458 /nfs/dbraw/zinc/92/94/58/522929458.db2.gz WQCTYYGHBVHQHV-MRXNPFEDSA-N 0 0 275.779 3.900 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(C)c(N)c1 ZINC000048633958 523224251 /nfs/dbraw/zinc/22/42/51/523224251.db2.gz HIGYDQYCPROFFW-IUODEOHRSA-N 0 0 261.365 3.703 10 0 CHAERN CN(Cc1cccs1)c1nc(C(C)(C)C)c(CO)s1 ZINC000055003254 523451940 /nfs/dbraw/zinc/45/19/40/523451940.db2.gz DSNHPAWWILLFGZ-UHFFFAOYSA-N 0 0 296.461 3.631 10 0 CHAERN COc1ccc(Br)cc1Nc1cccc(F)n1 ZINC000049571798 523506934 /nfs/dbraw/zinc/50/69/34/523506934.db2.gz LELXIKNYJYVFCW-UHFFFAOYSA-N 0 0 297.127 3.735 10 0 CHAERN CN(c1nc2ccccc2s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156734367 523667531 /nfs/dbraw/zinc/66/75/31/523667531.db2.gz REJDNDYHHWRAMK-HONMWMINSA-N 0 0 288.416 3.546 10 0 CHAERN CCc1cc(Oc2ccnc(C(N)=S)c2)ccc1Cl ZINC000061813524 523842729 /nfs/dbraw/zinc/84/27/29/523842729.db2.gz UGHHJFLFHNFFRG-UHFFFAOYSA-N 0 0 292.791 3.724 10 0 CHAERN CCc1ccc(-c2nc3c(s2)C(=O)CCC3)cc1 ZINC000050329696 523861726 /nfs/dbraw/zinc/86/17/26/523861726.db2.gz HTKCBQUVQWDLEJ-UHFFFAOYSA-N 0 0 257.358 3.892 10 0 CHAERN CC[C@H](C)Cn1c2ccc(N)cc2nc1C(F)(F)F ZINC000054492068 523906477 /nfs/dbraw/zinc/90/64/77/523906477.db2.gz LCNXLWTWMUBLHC-QMMMGPOBSA-N 0 0 271.286 3.683 10 0 CHAERN CC[C@H](C)N(CCOC)c1ccc([C@@H](C)O)cc1Cl ZINC000061696609 523939631 /nfs/dbraw/zinc/93/96/31/523939631.db2.gz PJRXXLIKYLDBFO-NWDGAFQWSA-N 0 0 285.815 3.645 10 0 CHAERN CCc1ccc(CNc2cc(Cl)nc(C)n2)cc1 ZINC000227871942 523947213 /nfs/dbraw/zinc/94/72/13/523947213.db2.gz MZHNNYASIXRMKM-UHFFFAOYSA-N 0 0 261.756 3.613 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)co1 ZINC000188519706 524126797 /nfs/dbraw/zinc/12/67/97/524126797.db2.gz OETKNKQSYYGOMH-CQSZACIVSA-N 0 0 285.343 3.620 10 0 CHAERN Cc1cccc(-c2noc(NCCc3ccc(F)cc3)n2)c1 ZINC000057354083 524134500 /nfs/dbraw/zinc/13/45/00/524134500.db2.gz GKVONAHGSZFBLP-UHFFFAOYSA-N 0 0 297.333 3.839 10 0 CHAERN COc1cccc([C@@](C)(O)c2cccc(C)c2C)c1 ZINC000053328321 524138636 /nfs/dbraw/zinc/13/86/36/524138636.db2.gz RAJXPTPYYVNLPI-QGZVFWFLSA-N 0 0 256.345 3.568 10 0 CHAERN COc1ccc(C[C@@H](O)c2ccc(C)c(Cl)c2)cc1 ZINC000063022655 524139994 /nfs/dbraw/zinc/13/99/94/524139994.db2.gz FWQIYUJAUQPDJI-MRXNPFEDSA-N 0 0 276.763 3.933 10 0 CHAERN Cc1ccc(C)c(NC(=O)c2cccc3c2NCCC3)c1 ZINC000050957396 524158580 /nfs/dbraw/zinc/15/85/80/524158580.db2.gz MLPVTUIYKYJOAN-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN C[C@@H]1CCCC[C@H]1Nc1ccc(C(N)=S)cc1Cl ZINC000062795152 524173139 /nfs/dbraw/zinc/17/31/39/524173139.db2.gz CKGAWGIORFXAAO-BXKDBHETSA-N 0 0 282.840 3.965 10 0 CHAERN Cc1ccc(C)c([C@](C)(O)c2ccc(F)cc2F)c1 ZINC000055238235 524212953 /nfs/dbraw/zinc/21/29/53/524212953.db2.gz JKIKQNUJEBXIHX-MRXNPFEDSA-N 0 0 262.299 3.837 10 0 CHAERN Cc1ccc(C)c([C@](C)(O)c2ccc(F)c(F)c2)c1 ZINC000055236857 524213274 /nfs/dbraw/zinc/21/32/74/524213274.db2.gz QPOIOQRPEFLJJX-MRXNPFEDSA-N 0 0 262.299 3.837 10 0 CHAERN COc1ccc(Cl)cc1[C@H]1CCCCC[C@@H]1O ZINC000055230167 524253841 /nfs/dbraw/zinc/25/38/41/524253841.db2.gz WLCRKEMRITZGBG-YPMHNXCESA-N 0 0 254.757 3.757 10 0 CHAERN Cc1cc(C)cc(N(C)c2ccc(CO)cc2C)c1 ZINC000050561399 524404415 /nfs/dbraw/zinc/40/44/15/524404415.db2.gz FCTKJCPITOEDMK-UHFFFAOYSA-N 0 0 255.361 3.872 10 0 CHAERN Cc1cccc(C[S@](=O)Cc2ccc(N)cc2Cl)c1 ZINC000054966188 524471645 /nfs/dbraw/zinc/47/16/45/524471645.db2.gz QMQBJYNEBPHWBQ-LJQANCHMSA-N 0 0 293.819 3.680 10 0 CHAERN Cc1ccc(F)c(NC2CCN(CC(F)(F)F)CC2)c1 ZINC000037245693 524825284 /nfs/dbraw/zinc/82/52/84/524825284.db2.gz DAROFBUJWVPPDO-UHFFFAOYSA-N 0 0 290.304 3.573 10 0 CHAERN Cc1cc(Cc2sc(N)nc2C(C)C)ccc1F ZINC000061121164 524841831 /nfs/dbraw/zinc/84/18/31/524841831.db2.gz LTJSSKGSMTYVTQ-UHFFFAOYSA-N 0 0 264.369 3.887 10 0 CHAERN Cc1cc(Cl)nc(COc2ccc(Cl)cc2C)n1 ZINC000058043497 524918279 /nfs/dbraw/zinc/91/82/79/524918279.db2.gz JOTWPDAUUIPVLC-UHFFFAOYSA-N 0 0 283.158 3.979 10 0 CHAERN Cc1cc(F)ccc1[C@H](O)c1ccccc1Cl ZINC000055203954 525011127 /nfs/dbraw/zinc/01/11/27/525011127.db2.gz FRRBTKAUTAFNAA-AWEZNQCLSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1cc(N[C@H](C)c2cccc(F)c2)nc(Cl)n1 ZINC000052814664 525300378 /nfs/dbraw/zinc/30/03/78/525300378.db2.gz XHNVDECHJDDXCA-SECBINFHSA-N 0 0 265.719 3.751 10 0 CHAERN Cc1ccc(Nc2cc(C)nc(Cl)n2)c(F)c1 ZINC000052814095 525323381 /nfs/dbraw/zinc/32/33/81/525323381.db2.gz BKGOMEUSQQDYMG-UHFFFAOYSA-N 0 0 251.692 3.630 10 0 CHAERN Cc1ccccc1[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000131013724 525350530 /nfs/dbraw/zinc/35/05/30/525350530.db2.gz BTJOQBIKQCVRSJ-HIFRSBDPSA-N 0 0 288.416 3.586 10 0 CHAERN Cc1ccccc1[C@@H](C)n1c(=S)[nH]nc1C1CC1 ZINC000049526418 525363672 /nfs/dbraw/zinc/36/36/72/525363672.db2.gz JASXWAIGRBJKLE-SNVBAGLBSA-N 0 0 259.378 3.736 10 0 CHAERN Cc1cc(OCCCCC(N)=S)ccc1C(C)C ZINC000049583091 525370133 /nfs/dbraw/zinc/37/01/33/525370133.db2.gz DXQNBTOSAJYGEW-UHFFFAOYSA-N 0 0 265.422 3.954 10 0 CHAERN Cc1ccc(O[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)cc1C ZINC000054558637 525464760 /nfs/dbraw/zinc/46/47/60/525464760.db2.gz ZQOWXNPNFWNPBO-BHYGNILZSA-N 0 0 262.393 3.868 10 0 CHAERN Cc1cc([C@@H](O)Cc2cc(F)cc(F)c2)ccc1F ZINC000055203023 525484319 /nfs/dbraw/zinc/48/43/19/525484319.db2.gz KTEIYVAISAJYSK-HNNXBMFYSA-N 0 0 266.262 3.688 10 0 CHAERN C[C@@H]1C[C@H]1c1[nH]nc(N)c1-c1ccccc1Br ZINC000055333990 525509714 /nfs/dbraw/zinc/50/97/14/525509714.db2.gz WTIINLSFYIZKGM-VXNVDRBHSA-N 0 0 292.180 3.545 10 0 CHAERN CSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000077539070 525522737 /nfs/dbraw/zinc/52/27/37/525522737.db2.gz FODRLWAJHVXUQT-KGLIPLIRSA-N 0 0 294.464 3.839 10 0 CHAERN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)C(=O)[O-] ZINC000049357313 525527768 /nfs/dbraw/zinc/52/77/68/525527768.db2.gz GVPCVAPMSYUHHZ-WDSKDSINSA-N 0 0 296.581 3.771 10 0 CHAERN Cc1ccc(-c2c(N)n[nH]c2-c2ccco2)cc1C ZINC000061681192 525709936 /nfs/dbraw/zinc/70/99/36/525709936.db2.gz IGCOUKBYQHIAPM-UHFFFAOYSA-N 0 0 253.305 3.536 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2)o1 ZINC000112042448 525710909 /nfs/dbraw/zinc/71/09/09/525710909.db2.gz BMYYNPZZKPEVAP-TZMCWYRMSA-N 0 0 271.360 3.644 10 0 CHAERN C[C@@H](Nc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000044271403 525715502 /nfs/dbraw/zinc/71/55/02/525715502.db2.gz RWZOFXSSBMUFHX-MRVPVSSYSA-N 0 0 256.227 3.867 10 0 CHAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccs2)cc1 ZINC000052901351 525789773 /nfs/dbraw/zinc/78/97/73/525789773.db2.gz DVMAJMGZNAVCIM-UHFFFAOYSA-N 0 0 255.346 3.696 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NC(C)(C)C)o1 ZINC000157329057 525799468 /nfs/dbraw/zinc/79/94/68/525799468.db2.gz YZNMARCTPBKGNI-LBPRGKRZSA-N 0 0 264.369 3.623 10 0 CHAERN Cc1c(N)cccc1N(C)Cc1cccc(Cl)c1 ZINC000062724878 525818880 /nfs/dbraw/zinc/81/88/80/525818880.db2.gz HCMWQJBNVVJJOS-UHFFFAOYSA-N 0 0 260.768 3.867 10 0 CHAERN Cc1c(N)cccc1Nc1cc(F)cc(F)c1F ZINC000062725477 525822170 /nfs/dbraw/zinc/82/21/70/525822170.db2.gz OCOKDOHXQMAQQB-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN C[C@H](O)c1ccc(F)cc1OCc1ccccc1F ZINC000062749260 525856025 /nfs/dbraw/zinc/85/60/25/525856025.db2.gz FHBMPZVEMPPVDG-JTQLQIEISA-N 0 0 264.271 3.597 10 0 CHAERN C[C@H](O)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782094 525864773 /nfs/dbraw/zinc/86/47/73/525864773.db2.gz FLRZTTKVIJNBSG-NSHDSACASA-N 0 0 259.374 3.666 10 0 CHAERN C[C@@H](O)c1ccccc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000057614863 525871563 /nfs/dbraw/zinc/87/15/63/525871563.db2.gz WXGDQMQGFOANCS-QLFBSQMISA-N 0 0 259.393 3.756 10 0 CHAERN C[C@@H](O)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062782095 525877323 /nfs/dbraw/zinc/87/73/23/525877323.db2.gz FLRZTTKVIJNBSG-LLVKDONJSA-N 0 0 259.374 3.666 10 0 CHAERN CSc1ccc(NCCOCCC(C)C)cc1 ZINC000049265441 526043462 /nfs/dbraw/zinc/04/34/62/526043462.db2.gz LXZQZKUKAMLZCQ-UHFFFAOYSA-N 0 0 253.411 3.883 10 0 CHAERN C[C@H](c1cccc(Cl)c1)[N@H+](C)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062756920 526076821 /nfs/dbraw/zinc/07/68/21/526076821.db2.gz VHLXBCWVAAWWEN-DDTOSNHZSA-N 0 0 281.783 3.586 10 0 CHAERN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)o1 ZINC000066513074 526141489 /nfs/dbraw/zinc/14/14/89/526141489.db2.gz WOLCFNOCWHBHHM-MRXNPFEDSA-N 0 0 299.370 3.580 10 0 CHAERN Cc1cc(Br)ccc1NCc1ccc[nH]1 ZINC000051787896 526172269 /nfs/dbraw/zinc/17/22/69/526172269.db2.gz UPCFJVJMTBEHGI-UHFFFAOYSA-N 0 0 265.154 3.698 10 0 CHAERN COc1cccc(Nc2cc(C)nc3nc(C)ccc23)c1 ZINC000047162375 526211031 /nfs/dbraw/zinc/21/10/31/526211031.db2.gz RPSHSVDECKZOMD-UHFFFAOYSA-N 0 0 279.343 3.999 10 0 CHAERN C[C@H]1CC(=O)Oc2cc(Oc3ccnc(C4CC4)n3)ccc21 ZINC000277894969 526217950 /nfs/dbraw/zinc/21/79/50/526217950.db2.gz NPGYEUJSEDGFIR-JTQLQIEISA-N 0 0 296.326 3.559 10 0 CHAERN FC(F)c1nnc(N2CCC[C@H]2/C=C/c2cccs2)o1 ZINC000367794558 526268982 /nfs/dbraw/zinc/26/89/82/526268982.db2.gz SNBSKRAQWFCTGM-CYNONHLPSA-N 0 0 297.330 3.751 10 0 CHAERN O[C@H](Cc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000055202993 526294971 /nfs/dbraw/zinc/29/49/71/526294971.db2.gz OJHLYMDBKPJKDG-CQSZACIVSA-N 0 0 270.225 3.519 10 0 CHAERN O[C@H](Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000052900144 526298563 /nfs/dbraw/zinc/29/85/63/526298563.db2.gz SOEOHFNLWRREEZ-LBPRGKRZSA-N 0 0 252.766 3.548 10 0 CHAERN O[C@H](c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000055201468 526301312 /nfs/dbraw/zinc/30/13/12/526301312.db2.gz IIMGKVHHYJCXGR-NSHDSACASA-N 0 0 258.264 3.849 10 0 CHAERN O=C(CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055199869 526324443 /nfs/dbraw/zinc/32/44/43/526324443.db2.gz GPTXCRGPNCTJLO-UHFFFAOYSA-N 0 0 256.145 3.841 10 0 CHAERN c1csc(-c2ccc(NCc3cncs3)cc2)n1 ZINC000054788152 526571725 /nfs/dbraw/zinc/57/17/25/526571725.db2.gz PCMWHUIVAXZQCC-UHFFFAOYSA-N 0 0 273.386 3.879 10 0 CHAERN Cc1nc(-c2ccc(Cl)s2)nc(N)c1C(C)C ZINC000061687570 526572873 /nfs/dbraw/zinc/57/28/73/526572873.db2.gz VBNBODLTBLBUNP-UHFFFAOYSA-N 0 0 267.785 3.873 10 0 CHAERN Cc1noc(C)c1[C@H](C)Nc1cc(C)nc(C(C)C)n1 ZINC000078678648 526576985 /nfs/dbraw/zinc/57/69/85/526576985.db2.gz FLZQJPJQQMSGQW-JTQLQIEISA-N 0 0 274.368 3.686 10 0 CHAERN Cc1nc(C)c([C@H](C)n2c(=S)[nH]nc2C2CC2)s1 ZINC000049534031 526756761 /nfs/dbraw/zinc/75/67/61/526756761.db2.gz NCCGUZMYNGKRPT-ZETCQYMHSA-N 0 0 280.422 3.501 10 0 CHAERN Cc1occc1[C@@H](O)Cc1c(F)cccc1Cl ZINC000062138080 526828640 /nfs/dbraw/zinc/82/86/40/526828640.db2.gz LOEHFRAFNUXDLU-ZDUSSCGKSA-N 0 0 254.688 3.657 10 0 CHAERN Cc1nc(N(C)[C@H](C)c2ccccc2Cl)sc1CO ZINC000062028219 526951802 /nfs/dbraw/zinc/95/18/02/526951802.db2.gz ROMUULKDRHJLQE-SNVBAGLBSA-N 0 0 296.823 3.795 10 0 CHAERN Clc1nc(CN2CCCC[C@@H]2c2nccs2)cs1 ZINC000297086192 527003197 /nfs/dbraw/zinc/00/31/97/527003197.db2.gz KGKTWLCIGHKPPW-SNVBAGLBSA-N 0 0 299.852 3.980 10 0 CHAERN Clc1nc(COc2ccccc2)nc2c1CCCC2 ZINC000054436314 527003728 /nfs/dbraw/zinc/00/37/28/527003728.db2.gz FDCBSOKULVQBII-UHFFFAOYSA-N 0 0 274.751 3.588 10 0 CHAERN Cc1nc([C@H](C)Nc2ccc(Br)cn2)cs1 ZINC000309820988 527067505 /nfs/dbraw/zinc/06/75/05/527067505.db2.gz WIZFZLILHHXOHH-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN NC(=S)CCCCOc1cccc2ccccc21 ZINC000049582945 527107464 /nfs/dbraw/zinc/10/74/64/527107464.db2.gz YWBCFRAKBHBKBK-UHFFFAOYSA-N 0 0 259.374 3.675 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1ccc(Cl)c(F)c1 ZINC000052855027 527121711 /nfs/dbraw/zinc/12/17/11/527121711.db2.gz ZRHBPVDISZJRPN-UHFFFAOYSA-N 0 0 275.714 3.709 10 0 CHAERN O=C(Nc1cc(F)ccc1F)c1cccc2c1NCCC2 ZINC000050957381 527127599 /nfs/dbraw/zinc/12/75/99/527127599.db2.gz LFKXYNSSIRLDCD-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN Nc1ccc(-c2nnc(C3CCCC3)o2)c(Cl)c1 ZINC000050309391 527465111 /nfs/dbraw/zinc/46/51/11/527465111.db2.gz NJGJGVHZMSLVSB-UHFFFAOYSA-N 0 0 263.728 3.630 10 0 CHAERN Nc1ccc(Cl)cc1Oc1ncnc2ccccc21 ZINC000051609681 527486599 /nfs/dbraw/zinc/48/65/99/527486599.db2.gz ZGPZQNPWAPZWDC-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN Nc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccccc1F ZINC000052842312 527508022 /nfs/dbraw/zinc/50/80/22/527508022.db2.gz YFVGVYGVXQNQGD-UHFFFAOYSA-N 0 0 295.239 3.766 10 0 CHAERN OCCCCCNc1c(Cl)cccc1C(F)(F)F ZINC000051020673 527536263 /nfs/dbraw/zinc/53/62/63/527536263.db2.gz FOYPTOIRARVNEF-UHFFFAOYSA-N 0 0 281.705 3.933 10 0 CHAERN Nc1onc(CCc2ccccc2)c1-c1cccs1 ZINC000052902195 527581938 /nfs/dbraw/zinc/58/19/38/527581938.db2.gz DFZIWBFOBWDBGY-UHFFFAOYSA-N 0 0 270.357 3.771 10 0 CHAERN OCc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1 ZINC000062722573 527630251 /nfs/dbraw/zinc/63/02/51/527630251.db2.gz YSGMFCFONHXTQS-UHFFFAOYSA-N 0 0 270.662 3.903 10 0 CHAERN O[C@@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062780972 527664944 /nfs/dbraw/zinc/66/49/44/527664944.db2.gz ZCEGXIAYXWZWSR-HNNXBMFYSA-N 0 0 258.386 3.773 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c(Cl)c1 ZINC000087406393 527697068 /nfs/dbraw/zinc/69/70/68/527697068.db2.gz NPPHNKAJPCEXHC-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000087406771 527697874 /nfs/dbraw/zinc/69/78/74/527697874.db2.gz VPMKHFBGWIYZTD-SECBINFHSA-N 0 0 299.296 3.800 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(OC(F)F)c1 ZINC000087407953 527700479 /nfs/dbraw/zinc/70/04/79/527700479.db2.gz YVLNFGMNVLGJPV-VIFPVBQESA-N 0 0 281.306 3.503 10 0 CHAERN CC(C)c1nsc(N[C@H]2CCc3ccccc32)n1 ZINC000301452143 528518949 /nfs/dbraw/zinc/51/89/49/528518949.db2.gz UMCBMWAPXCOUPS-LBPRGKRZSA-N 0 0 259.378 3.761 10 0 CHAERN Cc1ccccc1COc1ccc([C@@H](C)O)cc1F ZINC000058823242 567217140 /nfs/dbraw/zinc/21/71/40/567217140.db2.gz YSYIHCLSXSPXTQ-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN CCCc1cc2nc(C(F)(F)C(F)F)nn2c(Cl)c1 ZINC000725246645 570255766 /nfs/dbraw/zinc/25/57/66/570255766.db2.gz RPIBAQUZMJYIII-UHFFFAOYSA-N 0 0 295.667 3.692 10 0 CHAERN CC(C)(C)c1cc2nc(C3CC3)nn2c(Br)c1 ZINC000725248275 570256116 /nfs/dbraw/zinc/25/61/16/570256116.db2.gz PXZCLZUVOWXIBF-UHFFFAOYSA-N 0 0 294.196 3.667 10 0 CHAERN COC(=O)C1=CC[C@H]([C@H](C)CC(=O)CC(C)C)CC1 ZINC000004098279 560195436 /nfs/dbraw/zinc/19/54/36/560195436.db2.gz IIWNDLDEVPJIBT-OLZOCXBDSA-N 0 0 266.381 3.527 10 0 biogenic,in-vitro CHAERN C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)N(C)C ZINC000006032472 560204643 /nfs/dbraw/zinc/20/46/43/560204643.db2.gz POZJNEBUHLZROM-GFCCVEGCSA-N 0 0 298.411 3.766 10 0 in-vitro CHAERN Cc1scc(CCNC(=O)Nc2ccccc2F)c1C ZINC000015784787 566896846 /nfs/dbraw/zinc/89/68/46/566896846.db2.gz SEBKXQBOBFGWGV-UHFFFAOYSA-N 0 0 292.379 3.868 10 0 CHAERN Brc1ccc(Cc2nc3c(s2)CCC3)cc1 ZINC000667381734 566933962 /nfs/dbraw/zinc/93/39/62/566933962.db2.gz HNQYTZDZIJFOJF-UHFFFAOYSA-N 0 0 294.217 3.985 10 0 CHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1ccc(Br)cc1 ZINC000083000429 566962989 /nfs/dbraw/zinc/96/29/89/566962989.db2.gz KXPMNMYSFJKHNL-PELKAZGASA-N 0 0 285.206 3.909 10 0 CHAERN CC1CCN(c2ccc(-c3csc(N)n3)cc2F)CC1 ZINC000058823201 567217279 /nfs/dbraw/zinc/21/72/79/567217279.db2.gz RYIBSSVPGSKLJD-UHFFFAOYSA-N 0 0 291.395 3.768 10 0 CHAERN Clc1ccsc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712501049 567849832 /nfs/dbraw/zinc/84/98/32/567849832.db2.gz GKDOXSFNDFNYSJ-VIFPVBQESA-N 0 0 255.795 3.698 10 0 CHAERN O=c1c2ccccc2ncn1CCCSc1ccccc1 ZINC000004568435 567857985 /nfs/dbraw/zinc/85/79/85/567857985.db2.gz BQVLSPRUUFTUOZ-UHFFFAOYSA-N 0 0 296.395 3.579 10 0 CHAERN COc1ccc(NC(=O)Oc2cccc3cccnc32)cc1 ZINC000027725239 567883462 /nfs/dbraw/zinc/88/34/62/567883462.db2.gz VNILJRUQHUWQJH-UHFFFAOYSA-N 0 0 294.310 3.854 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCNc2ccc(Cl)cc21 ZINC000068575630 567901047 /nfs/dbraw/zinc/90/10/47/567901047.db2.gz HJSJGOZAQBFPAB-LBPRGKRZSA-N 0 0 282.771 3.721 10 0 CHAERN C[Si](C)(C)CCSCc1nnc(C2CC2)o1 ZINC000725244720 567908140 /nfs/dbraw/zinc/90/81/40/567908140.db2.gz AISNULFDWGKOBJ-UHFFFAOYSA-N 0 0 256.447 3.518 10 0 CHAERN C[Si](C)(C)CCSCc1nc(-c2ccccn2)no1 ZINC000725246571 567908437 /nfs/dbraw/zinc/90/84/37/567908437.db2.gz YJWXNXKHFWHVLE-UHFFFAOYSA-N 0 0 293.468 3.703 10 0 CHAERN CCc1c(C)cc2nc(C(C)(C)C)nn2c1Br ZINC000725247828 567908455 /nfs/dbraw/zinc/90/84/55/567908455.db2.gz ADDCGOVVFDAHPX-UHFFFAOYSA-N 0 0 296.212 3.660 10 0 CHAERN S=C1N=NC(C2CCCC2)N1C1CCCCC1 ZINC000725265551 567923560 /nfs/dbraw/zinc/92/35/60/567923560.db2.gz WJOHUUJPBCAKQZ-UHFFFAOYSA-N 0 0 251.399 3.730 10 0 CHAERN CC(C)(C)Cc1nc2ccc(Cl)cc2cc1NN ZINC000725268041 567924030 /nfs/dbraw/zinc/92/40/30/567924030.db2.gz GNHXOHUVYHKSQD-UHFFFAOYSA-N 0 0 263.772 3.762 10 0 CHAERN CCc1cccc2c1N[C@H](C1CCCCC1)[C@@H](O)C2 ZINC000725268326 567924111 /nfs/dbraw/zinc/92/41/11/567924111.db2.gz MMJNZUVJGYYFJI-DOTOQJQBSA-N 0 0 259.393 3.527 10 0 CHAERN CC(C)(C)c1nc2c(Br)cccc2cc1NN ZINC000725268456 567924153 /nfs/dbraw/zinc/92/41/53/567924153.db2.gz RHHGQHJDLIFSHM-UHFFFAOYSA-N 0 0 294.196 3.580 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(C)c(F)c2)n1 ZINC000725271079 567924735 /nfs/dbraw/zinc/92/47/35/567924735.db2.gz WUYXIQDKBQPVGC-UHFFFAOYSA-N 0 0 254.255 3.955 10 0 CHAERN C[C@@H]1CCn2cc(-c3ccccc3Br)nc2C1 ZINC000258432732 567930913 /nfs/dbraw/zinc/93/09/13/567930913.db2.gz OUCCDLWNFYOXMI-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN N#[N+]c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000033595358 567931308 /nfs/dbraw/zinc/93/13/08/567931308.db2.gz AXEWXUUOFDGDBM-UHFFFAOYSA-O 0 0 263.280 3.729 10 0 CHAERN Cc1ccc(CSc2nc(Cl)ns2)cc1 ZINC000216712166 567947867 /nfs/dbraw/zinc/94/78/67/567947867.db2.gz HRNCHOSCMMKGJC-UHFFFAOYSA-N 0 0 256.783 3.792 10 0 CHAERN FC(F)(F)c1ccc(Br)c(-c2ncc[nH]2)c1 ZINC000225254143 567952680 /nfs/dbraw/zinc/95/26/80/567952680.db2.gz ZSKPHZSRLWUZCT-UHFFFAOYSA-N 0 0 291.070 3.858 10 0 CHAERN Cc1cc(C)cc(-c2cc(Br)ncn2)c1 ZINC000160919685 570301287 /nfs/dbraw/zinc/30/12/87/570301287.db2.gz FZAGVWILIRABIY-UHFFFAOYSA-N 0 0 263.138 3.523 10 0 CHAERN FC(Br)(Br)c1ccccc1 ZINC000148493050 570301459 /nfs/dbraw/zinc/30/14/59/570301459.db2.gz FUJFHJAWFLGHLR-UHFFFAOYSA-N 0 0 267.923 3.556 10 0 CHAERN FC(F)(F)[C@@H]1CCc2cc(Br)ccc2N1 ZINC000238556562 570319282 /nfs/dbraw/zinc/31/92/82/570319282.db2.gz GHYIKNDMJIMNJZ-VIFPVBQESA-N 0 0 280.087 3.738 10 0 CHAERN COC(=O)c1cc2cc(C(F)(F)F)ccc2nc1Cl ZINC000258163991 570390210 /nfs/dbraw/zinc/39/02/10/570390210.db2.gz HTCALRCIKIUHNC-UHFFFAOYSA-N 0 0 289.640 3.694 10 0 CHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000253273645 728638180 /nfs/dbraw/zinc/63/81/80/728638180.db2.gz DUDDFDCQOFQCGB-TYNCELHUSA-N 0 0 295.810 3.675 10 0 CHAERN Cc1ccsc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692446787 976482964 /nfs/dbraw/zinc/48/29/64/976482964.db2.gz WJPUFNAIWJPJFZ-UHFFFAOYSA-N 0 0 289.400 3.533 10 0 CHAERN O=C([O-])c1csc(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000711384642 977539922 /nfs/dbraw/zinc/53/99/22/977539922.db2.gz IXTHMOMOWOIHAQ-UHFFFAOYSA-N 0 0 279.405 3.603 10 0 CHAERN O=C([O-])c1sccc1C[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000712682047 977588578 /nfs/dbraw/zinc/58/85/78/977588578.db2.gz ZTAQGWCCDPVRGA-AWEZNQCLSA-N 0 0 293.432 3.895 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC000721405226 978103365 /nfs/dbraw/zinc/10/33/65/978103365.db2.gz OIDYBYSRAJUKAW-UHFFFAOYSA-N 0 0 267.394 3.601 10 0 CHAERN c1coc(-c2ccc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)n1 ZINC000194165810 1125552340 /nfs/dbraw/zinc/55/23/40/1125552340.db2.gz GXVNYQQWNGFBBV-BZUAXINKSA-N 0 0 296.370 3.711 10 0 CHAERN CCC(=CC(=O)N1CCC[C@H]1c1csc(C)n1)CC ZINC000187008545 1126907405 /nfs/dbraw/zinc/90/74/05/1126907405.db2.gz JNJKIFIQVQQNOK-AWEZNQCLSA-N 0 0 278.421 3.861 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2nccn2C(C)C)cs1 ZINC000189779106 1126935473 /nfs/dbraw/zinc/93/54/73/1126935473.db2.gz VYQDXLMRQJITGQ-AWEZNQCLSA-N 0 0 290.436 3.566 10 0 CHAERN FC1(F)CC[C@H](c2noc([C@H]3C[C@@H]3c3cccnc3)n2)C1 ZINC000374084155 1127872950 /nfs/dbraw/zinc/87/29/50/1127872950.db2.gz OLVYXTSYOYRLOX-WCQGTBRESA-N 0 0 291.301 3.639 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1CCCC12CCCC2 ZINC000312593260 1118283689 /nfs/dbraw/zinc/28/36/89/1118283689.db2.gz XGPBLNCEMMIWFZ-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN CCC[C@@H]1[C@H](C)CCCN1C(=O)/C=C\c1ncccc1C ZINC000588453396 1118799308 /nfs/dbraw/zinc/79/93/08/1118799308.db2.gz VRINLANRZLWAQB-LMFNXRSWSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCCC[C@@H]1CC(C)C ZINC000588453724 1118800035 /nfs/dbraw/zinc/80/00/35/1118800035.db2.gz JJUQCHCCOXNTMO-ZBTGYSDGSA-N 0 0 286.419 3.830 10 0 CHAERN CC(C)(C)/C=C\C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000588472585 1118893996 /nfs/dbraw/zinc/89/39/96/1118893996.db2.gz UFWBONSVINPPDO-PRDAAYKISA-N 0 0 283.371 3.696 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCC1(c2ccccc2)CC1 ZINC000588510789 1119046254 /nfs/dbraw/zinc/04/62/54/1119046254.db2.gz NSTSJEYOQWZHJV-KTKRTIGZSA-N 0 0 293.366 3.678 10 0 CHAERN CCc1cccc(OC(=O)/C=C\c2scnc2C)c1 ZINC000588522790 1119093019 /nfs/dbraw/zinc/09/30/19/1119093019.db2.gz OQAWSNUOGOIWPG-FPLPWBNLSA-N 0 0 273.357 3.633 10 0 CHAERN C/C=C(/CC)C(=O)O[C@H](C)c1sc(CCOC)nc1C ZINC000588570149 1119321161 /nfs/dbraw/zinc/32/11/61/1119321161.db2.gz ALJNOMWGPNKNHP-MDUDVEDUSA-N 0 0 297.420 3.601 10 0 CHAERN C/C=C(/CC)C(=O)O[C@@H](C)c1sc(CCOC)nc1C ZINC000588570150 1119321472 /nfs/dbraw/zinc/32/14/72/1119321472.db2.gz ALJNOMWGPNKNHP-RMCZBGCRSA-N 0 0 297.420 3.601 10 0 CHAERN CC1(C)[C@@H](Nc2ccsc2Cl)[C@@H]2CCO[C@@H]21 ZINC000377205820 1120036702 /nfs/dbraw/zinc/03/67/02/1120036702.db2.gz CVAMPHVVUJOGRT-HGNGGELXSA-N 0 0 257.786 3.627 10 0 CHAERN O=C(c1ccoc1Br)N1CCCC12CCCC2 ZINC000310437472 1120457166 /nfs/dbraw/zinc/45/71/66/1120457166.db2.gz RQDWAPNKQRTSOQ-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN C[C@H](CC(=O)N1CCCCC[C@@H]1c1ncon1)C(C)(C)C ZINC000408274957 1120992538 /nfs/dbraw/zinc/99/25/38/1120992538.db2.gz QUUNGUJKOMEVQZ-CHWSQXEVSA-N 0 0 293.411 3.586 10 0 CHAERN CC(C)c1ccc(NC(=O)CSC2=NCCS2)cc1 ZINC000000416671 1122620523 /nfs/dbraw/zinc/62/05/23/1122620523.db2.gz FKPVQVJDOQAGKQ-UHFFFAOYSA-N 0 0 294.445 3.585 10 0 CHAERN Cc1nc(COC(=O)[C@]2(C)CCCc3ccccc32)oc1C ZINC000101712636 1122848931 /nfs/dbraw/zinc/84/89/31/1122848931.db2.gz OLWAOUFAEZZDFP-GOSISDBHSA-N 0 0 299.370 3.629 10 0 CHAERN CO[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2F)C1 ZINC000102706360 1122938797 /nfs/dbraw/zinc/93/87/97/1122938797.db2.gz HVBAVXLEKGCBOA-WDEREUQCSA-N 0 0 286.730 3.594 10 0 CHAERN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1CCCOC1 ZINC000102708070 1122938835 /nfs/dbraw/zinc/93/88/35/1122938835.db2.gz ZIDQTYGVCYBSEM-KRWDZBQOSA-N 0 0 296.366 3.746 10 0 CHAERN O=C(OCCc1cccnc1)c1cc2ccccc2s1 ZINC000105555206 1123055609 /nfs/dbraw/zinc/05/56/09/1123055609.db2.gz ZBLYWUKQEJKSSK-UHFFFAOYSA-N 0 0 283.352 3.696 10 0 CHAERN CC[C@H](COC(=O)c1c(C)noc1C)c1ccccc1 ZINC000105775292 1123071183 /nfs/dbraw/zinc/07/11/83/1123071183.db2.gz LTWBPYOAVNJITL-CYBMUJFWSA-N 0 0 273.332 3.642 10 0 CHAERN C[C@H]1C[C@H](c2noc(Cc3cncs3)n2)C[C@@H](C)C1 ZINC000329596140 1123629434 /nfs/dbraw/zinc/62/94/34/1123629434.db2.gz PBVZUQMNJKKXPE-URLYPYJESA-N 0 0 277.393 3.657 10 0 CHAERN CC(C)(C)n1cc(-c2nc(CC3CCCCC3)no2)cn1 ZINC000329646765 1123638970 /nfs/dbraw/zinc/63/89/70/1123638970.db2.gz DQNWFEDYJWYCLS-UHFFFAOYSA-N 0 0 288.395 3.811 10 0 CHAERN COc1ccccc1CCN(C)C(=O)CC1CCCCC1 ZINC000104456623 1125386642 /nfs/dbraw/zinc/38/66/42/1125386642.db2.gz XFYGZOSENZVFHP-UHFFFAOYSA-N 0 0 289.419 3.667 10 0 CHAERN CC(C)c1csc(NC(=O)CCCc2ccccn2)n1 ZINC000104832464 1125399850 /nfs/dbraw/zinc/39/98/50/1125399850.db2.gz UDLXDYIFOJFVPJ-UHFFFAOYSA-N 0 0 289.404 3.623 10 0 CHAERN Cc1oc2ccc(NC(=O)N[C@H]3C[C@H]3C)cc2c1C ZINC000186455157 1129633446 /nfs/dbraw/zinc/63/34/46/1129633446.db2.gz ZDZMOWTZYMCPMI-OQPBUACISA-N 0 0 258.321 3.580 10 0 CHAERN O=C(O[C@@H](c1ccccc1)c1cccnc1)C1CCCC1 ZINC000102969013 1129673967 /nfs/dbraw/zinc/67/39/67/1129673967.db2.gz DNRJLGQXFDDRCA-KRWDZBQOSA-N 0 0 281.355 3.904 10 0 CHAERN CCO[C@@H](C)C(=O)Oc1ccc([C@H](C)CC)cc1 ZINC000103637209 1131855964 /nfs/dbraw/zinc/85/59/64/1131855964.db2.gz MQRDVMGJKMCRCJ-NEPJUHHUSA-N 0 0 250.338 3.531 10 0 CHAERN CC[C@H](C)OC(=O)CCSc1ccc(OC)cc1 ZINC000103667864 1131958204 /nfs/dbraw/zinc/95/82/04/1131958204.db2.gz BIUBTJOGDKQEQO-NSHDSACASA-N 0 0 268.378 3.519 10 0 CHAERN CC(=O)Nc1ccc(O)c(-c2ccc(Cl)cc2)c1 ZINC000082316224 177960376 /nfs/dbraw/zinc/96/03/76/177960376.db2.gz FAQFATBFIGGUNP-UHFFFAOYSA-N 0 0 261.708 3.671 10 0 CHAERN CC(C)Oc1cc(Br)cc(OC2CC2)c1 ZINC000095721027 185018758 /nfs/dbraw/zinc/01/87/58/185018758.db2.gz RULARLJDMLGQNG-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN Cc1cc(SC(F)(F)F)ncc1Br ZINC000095918441 185030665 /nfs/dbraw/zinc/03/06/65/185030665.db2.gz LTPPHEHITBUBOM-UHFFFAOYSA-N 0 0 272.089 3.764 10 0 CHAERN CC(C)(C)OC(=O)Nc1cn2c3c1cccc3CCC2 ZINC000095830825 185029871 /nfs/dbraw/zinc/02/98/71/185029871.db2.gz TZFFBIWAKCUJNB-UHFFFAOYSA-N 0 0 272.348 3.935 10 0 CHAERN Cc1ccc(-c2nc3cccnc3n2C(C)C)cc1N ZINC000082573220 178112673 /nfs/dbraw/zinc/11/26/73/178112673.db2.gz ZRFAGEQRUITEPZ-UHFFFAOYSA-N 0 0 266.348 3.570 10 0 CHAERN Nc1cnc(Nc2cccc(Br)c2)c(Cl)c1 ZINC000082587289 178125080 /nfs/dbraw/zinc/12/50/80/178125080.db2.gz SYLBQNOFODKXOC-UHFFFAOYSA-N 0 0 298.571 3.823 10 0 CHAERN CSc1nc2scc(Br)c2c(Cl)n1 ZINC000095935686 185033187 /nfs/dbraw/zinc/03/31/87/185033187.db2.gz FZOSVRHPZBYCNG-UHFFFAOYSA-N 0 0 295.614 3.829 10 0 CHAERN Brc1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000095938247 185034756 /nfs/dbraw/zinc/03/47/56/185034756.db2.gz DPUTZIKERKJJDN-UHFFFAOYSA-N 0 0 263.094 3.585 10 0 CHAERN CCCOC(=O)/C=C\c1cc(Br)ccc1F ZINC000095938607 185034766 /nfs/dbraw/zinc/03/47/66/185034766.db2.gz VHYNYCXWPWUQHY-UTCJRWHESA-N 0 0 287.128 3.555 10 0 CHAERN COc1ccc(F)cc1-c1ccc(CC(C)=O)cc1 ZINC000082708969 178218616 /nfs/dbraw/zinc/21/86/16/178218616.db2.gz WSUSBYSWSCUJRB-UHFFFAOYSA-N 0 0 258.292 3.633 10 0 CHAERN COc1ccc(CCNc2cccc3cccnc32)cc1 ZINC000082712263 178225088 /nfs/dbraw/zinc/22/50/88/178225088.db2.gz FMSPLWCCUJFBJH-UHFFFAOYSA-N 0 0 278.355 3.898 10 0 CHAERN CN[C@@H](c1cccc(Cl)c1Cl)C(F)(F)F ZINC000082718604 178233771 /nfs/dbraw/zinc/23/37/71/178233771.db2.gz KEAOPBJDENHZMA-QMMMGPOBSA-N 0 0 258.070 3.816 10 0 CHAERN CN[C@H](Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000082717658 178233165 /nfs/dbraw/zinc/23/31/65/178233165.db2.gz GIUGFMBTEGAFRH-SECBINFHSA-N 0 0 272.097 3.686 10 0 CHAERN CCC(CC)C(=O)N(C)Cc1ccc(SC)cc1 ZINC000097629438 185641758 /nfs/dbraw/zinc/64/17/58/185641758.db2.gz UJDBMMPPXNILHB-UHFFFAOYSA-N 0 0 265.422 3.803 10 0 CHAERN O=Cc1cscc1CCc1ccc(Cl)cc1 ZINC000098180097 185698198 /nfs/dbraw/zinc/69/81/98/185698198.db2.gz HTEXKHXVQFVUDB-UHFFFAOYSA-N 0 0 250.750 3.999 10 0 CHAERN Nc1ccc2c(c1)CCCN2C(=O)CCC1CCCC1 ZINC000019874449 136579389 /nfs/dbraw/zinc/57/93/89/136579389.db2.gz GPBFQDGFQQKDEL-UHFFFAOYSA-N 0 0 272.392 3.518 10 0 CHAERN Nc1sccc1-c1nc2c(cccc2F)n1C1CC1 ZINC000102940194 185799630 /nfs/dbraw/zinc/79/96/30/185799630.db2.gz YZJZWICPSDMGGM-UHFFFAOYSA-N 0 0 273.336 3.821 10 0 CHAERN Cc1ccc2c(c1)nc(-c1ccsc1N)n2C1CC1 ZINC000102938370 185800126 /nfs/dbraw/zinc/80/01/26/185800126.db2.gz AMVLOMDZWMBTPI-UHFFFAOYSA-N 0 0 269.373 3.990 10 0 CHAERN CC[C@@H]1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000103067720 185806587 /nfs/dbraw/zinc/80/65/87/185806587.db2.gz LKUJTWBZNIUVHD-SNVBAGLBSA-N 0 0 258.390 3.907 10 0 CHAERN O=C(c1cscc1Br)c1ccccc1 ZINC000086554131 179307394 /nfs/dbraw/zinc/30/73/94/179307394.db2.gz RGQPWMFTTSKFKN-UHFFFAOYSA-N 0 0 267.147 3.742 10 0 CHAERN CCCc1nnc(Cl)n1C[C@H]1CCCC[C@@H]1C ZINC000103928123 185863151 /nfs/dbraw/zinc/86/31/51/185863151.db2.gz CYIYWNAQOLDQTN-WDEREUQCSA-N 0 0 255.793 3.710 10 0 CHAERN Cc1cc(-n2c(Cl)nnc2C(C)(C)C)ccc1F ZINC000103915849 185860417 /nfs/dbraw/zinc/86/04/17/185860417.db2.gz XCZIIGRWRTWQAF-UHFFFAOYSA-N 0 0 267.735 3.666 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1cc(Cl)ncn1 ZINC000104007867 185880903 /nfs/dbraw/zinc/88/09/03/185880903.db2.gz ZMZXYAUHJCDHQJ-IJLUTSLNSA-N 0 0 268.788 3.970 10 0 CHAERN CCc1ccccc1O[C@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000103989802 185876983 /nfs/dbraw/zinc/87/69/83/185876983.db2.gz SKCHJTJDBZONFB-VYDXJSESSA-N 0 0 262.393 3.813 10 0 CHAERN CCNc1c(C)c(CC)nc2c(F)c(F)cc(F)c21 ZINC000104156304 185913308 /nfs/dbraw/zinc/91/33/08/185913308.db2.gz GFPJVJAXNJHSOX-UHFFFAOYSA-N 0 0 268.282 3.955 10 0 CHAERN CCc1nc2c(F)cc(Cl)cc2c(NC)c1C ZINC000104162315 185914480 /nfs/dbraw/zinc/91/44/80/185914480.db2.gz XBOVPDUWGGRWIO-UHFFFAOYSA-N 0 0 252.720 3.940 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(OC)cc1CO ZINC000104385105 185988605 /nfs/dbraw/zinc/98/86/05/185988605.db2.gz UIJOBXKEFYAQSI-IUODEOHRSA-N 0 0 264.365 3.535 10 0 CHAERN CCC(CC)[C@@H](C)NC(=O)c1nc(Cl)ccc1Cl ZINC000104438457 186002633 /nfs/dbraw/zinc/00/26/33/186002633.db2.gz KKYIDBIJQRNILR-MRVPVSSYSA-N 0 0 289.206 3.943 10 0 CHAERN O=C1CCCC[C@H]1CCc1cccc2cccnc21 ZINC000090659143 180018925 /nfs/dbraw/zinc/01/89/25/180018925.db2.gz VRGNZESVGFPEHI-ZDUSSCGKSA-N 0 0 253.345 3.927 10 0 CHAERN Cc1ccc2[nH]c(Sc3ccc(C=O)s3)nc2c1 ZINC000090669279 180020270 /nfs/dbraw/zinc/02/02/70/180020270.db2.gz DTZHOZAGHGKBPA-UHFFFAOYSA-N 0 0 274.370 3.897 10 0 CHAERN Cc1ccc(C)c(NC=C2C(=O)Nc3ccccc32)c1 ZINC000104489431 186007454 /nfs/dbraw/zinc/00/74/54/186007454.db2.gz ZYKVWMYVYOZADN-GXDHUFHOSA-N 0 0 264.328 3.709 10 0 CHAERN CC1(C)Oc2cc(Br)ccc2OC1(F)F ZINC000091252147 180113980 /nfs/dbraw/zinc/11/39/80/180113980.db2.gz XGQCWIARBINCPP-UHFFFAOYSA-N 0 0 279.080 3.592 10 0 CHAERN C=Cc1ccc(-c2ncncc2Br)cc1 ZINC000091366377 180143189 /nfs/dbraw/zinc/14/31/89/180143189.db2.gz PDEXLJVUOGZAPL-UHFFFAOYSA-N 0 0 261.122 3.549 10 0 CHAERN COC=C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000091361781 180141744 /nfs/dbraw/zinc/14/17/44/180141744.db2.gz PFDLMLXAYRDTNX-UHFFFAOYSA-N 0 0 265.356 3.622 10 0 CHAERN COc1cc(-c2ccccc2)nnc1-c1ccccc1 ZINC000091366106 180143066 /nfs/dbraw/zinc/14/30/66/180143066.db2.gz HQYHVXKWEHAQQR-UHFFFAOYSA-N 0 0 262.312 3.819 10 0 CHAERN COC(=O)c1cccc2c3cscc3c(Cl)nc12 ZINC000091691786 180228157 /nfs/dbraw/zinc/22/81/57/180228157.db2.gz DAGDFWDKTCKDPF-UHFFFAOYSA-N 0 0 277.732 3.890 10 0 CHAERN Cc1cc(N)sc1-c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000106037964 186099902 /nfs/dbraw/zinc/09/99/02/186099902.db2.gz MGFHRCTYJCYCMI-SCZZXKLOSA-N 0 0 277.393 3.982 10 0 CHAERN COc1ccc(CNc2ccc(C(C)C)cc2)c(OC)n1 ZINC000117296759 186744238 /nfs/dbraw/zinc/74/42/38/186744238.db2.gz HJMVXWTWOMPHGJ-UHFFFAOYSA-N 0 0 286.375 3.834 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000238852842 189900765 /nfs/dbraw/zinc/90/07/65/189900765.db2.gz HIFSKWKVYRHUFU-UHFFFAOYSA-N 0 0 290.162 3.752 10 0 CHAERN COc1ccc2[nH]c(/C=C\c3cccnc3)cc2c1 ZINC000255996484 190000917 /nfs/dbraw/zinc/00/09/17/190000917.db2.gz QFBNFHMMZQCLOP-PLNGDYQASA-N 0 0 250.301 3.742 10 0 CHAERN Fc1cc(-c2nc(Cl)c(Cl)c(Cl)n2)ccn1 ZINC000261507459 190039993 /nfs/dbraw/zinc/03/99/93/190039993.db2.gz IVVWHEFVBJLCCW-UHFFFAOYSA-N 0 0 278.501 3.638 10 0 CHAERN C/C(=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000000463870 169647579 /nfs/dbraw/zinc/64/75/79/169647579.db2.gz BDVNRSMVPHUXGR-QXMHVHEDSA-N 0 0 255.292 3.868 10 0 CHAERN F[C@H](Oc1ccc(Br)cc1)C(F)(F)F ZINC000071621164 184575076 /nfs/dbraw/zinc/57/50/76/184575076.db2.gz FKWXBRCXFHHOFV-SSDOTTSWSA-N 0 0 273.023 3.686 10 0 CHAERN c1coc(-c2nccn2-c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000071775814 184576236 /nfs/dbraw/zinc/57/62/36/184576236.db2.gz ZBDKNLLQECEXDP-UHFFFAOYSA-N 0 0 276.299 3.522 10 0 CHAERN O[C@H]1CCCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703775 256724087 /nfs/dbraw/zinc/72/40/87/256724087.db2.gz XEAJLCJMDSDZPL-NEPJUHHUSA-N 0 0 260.255 3.604 10 0 CHAERN COCc1ccccc1NCc1c(F)cccc1F ZINC000036938503 260054399 /nfs/dbraw/zinc/05/43/99/260054399.db2.gz KWCUVYDDCGLBTR-UHFFFAOYSA-N 0 0 263.287 3.723 10 0 CHAERN Clc1nc(Cl)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000001027975 169686527 /nfs/dbraw/zinc/68/65/27/169686527.db2.gz IPMAYRSAULHSBP-UHFFFAOYSA-N 0 0 299.205 3.559 10 0 CHAERN CCOC(=O)Nc1c(Cl)cc(F)cc1Br ZINC000002513869 169797792 /nfs/dbraw/zinc/79/77/92/169797792.db2.gz PESVVOYOKLRKBB-UHFFFAOYSA-N 0 0 296.523 3.810 10 0 CHAERN NN=c1[nH]c(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000003157787 169862228 /nfs/dbraw/zinc/86/22/28/169862228.db2.gz OUSZHCIDUKCREO-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN CCCc1c(=O)[nH]c2ccccc2c1OC1CCCC1 ZINC000003648773 169906206 /nfs/dbraw/zinc/90/62/06/169906206.db2.gz AIYDCRWOULZFMS-UHFFFAOYSA-N 0 0 271.360 3.802 10 0 CHAERN CC(C)(C)c1ccc(O)c(Cc2ccccc2O)c1 ZINC000005284286 170082878 /nfs/dbraw/zinc/08/28/78/170082878.db2.gz QDTJNCJDKXCFCE-UHFFFAOYSA-N 0 0 256.345 3.986 10 0 CHAERN c1ccc(OCCCc2nc3ccccc3[nH]2)cc1 ZINC000005286390 170083420 /nfs/dbraw/zinc/08/34/20/170083420.db2.gz ZSRJZTUPHCWECZ-UHFFFAOYSA-N 0 0 252.317 3.575 10 0 CHAERN c1csc(-c2ccc(SCc3ccncc3)nn2)c1 ZINC000005381214 170091971 /nfs/dbraw/zinc/09/19/71/170091971.db2.gz XRBNFVZHWQOULZ-UHFFFAOYSA-N 0 0 285.397 3.892 10 0 CHAERN Cc1ccc(C(=O)C[C@H](C)n2nnc3ccccc32)cc1 ZINC000005380495 170092109 /nfs/dbraw/zinc/09/21/09/170092109.db2.gz UVUATXQPNKJBFZ-ZDUSSCGKSA-N 0 0 279.343 3.574 10 0 CHAERN Cc1nc2ccccc2n1C(=O)Cc1ccc(Cl)cc1 ZINC000005387347 170093352 /nfs/dbraw/zinc/09/33/52/170093352.db2.gz OIHREEAYNDVFPP-UHFFFAOYSA-N 0 0 284.746 3.881 10 0 CHAERN Cc1ccc([C@@H](O)c2nc3ccccc3s2)cc1 ZINC000005416770 170096754 /nfs/dbraw/zinc/09/67/54/170096754.db2.gz ICLLTXBOQUGTIG-CQSZACIVSA-N 0 0 255.342 3.686 10 0 CHAERN CC(C)n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000005644770 170123575 /nfs/dbraw/zinc/12/35/75/170123575.db2.gz KPSWKZRWTFHGPX-UHFFFAOYSA-N 0 0 264.328 3.644 10 0 CHAERN c1sc(-c2ccccc2)nc1Cn1nnc2ccccc21 ZINC000005775893 170139609 /nfs/dbraw/zinc/13/96/09/170139609.db2.gz GFPULAUNBYRQDT-UHFFFAOYSA-N 0 0 292.367 3.603 10 0 CHAERN CC[C@@H](C)Oc1cc(N)nc(Sc2ccc(C)cc2)n1 ZINC000005845774 170146667 /nfs/dbraw/zinc/14/66/67/170146667.db2.gz LTTFEUFWKMVZPR-LLVKDONJSA-N 0 0 289.404 3.696 10 0 CHAERN Cc1nc2ccccc2n1Cc1c(F)cccc1F ZINC000005893046 170150746 /nfs/dbraw/zinc/15/07/46/170150746.db2.gz YNPAZAWNADNDRF-UHFFFAOYSA-N 0 0 258.271 3.671 10 0 CHAERN COc1ccc(C)cc1C(=O)c1cc(C)ccc1OC ZINC000006070569 170174218 /nfs/dbraw/zinc/17/42/18/170174218.db2.gz HLHGYRZGESXZHE-UHFFFAOYSA-N 0 0 270.328 3.552 10 0 CHAERN Clc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000006092400 170175842 /nfs/dbraw/zinc/17/58/42/170175842.db2.gz ZSZLOPDLODSHDO-UHFFFAOYSA-N 0 0 264.115 3.932 10 0 CHAERN O=S1(=O)c2ccccc2-c2c1ccc1ccccc21 ZINC000006118243 170177169 /nfs/dbraw/zinc/17/71/69/170177169.db2.gz HQUIJXPHSVOYNQ-UHFFFAOYSA-N 0 0 266.321 3.653 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H]1OCc1ccccc1 ZINC000006386378 170197169 /nfs/dbraw/zinc/19/71/69/170197169.db2.gz YVOXWSGODURQLO-CQSZACIVSA-N 0 0 277.364 3.560 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000006479125 170204206 /nfs/dbraw/zinc/20/42/06/170204206.db2.gz QCJLVIPWKGPDBM-NTCAYCPXSA-N 0 0 265.356 3.715 10 0 CHAERN Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCCC1 ZINC000006818450 170246285 /nfs/dbraw/zinc/24/62/85/170246285.db2.gz ARWHGVRCBWRGTQ-UHFFFAOYSA-N 0 0 286.350 3.802 10 0 CHAERN CC(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000006857029 170250411 /nfs/dbraw/zinc/25/04/11/170250411.db2.gz MIECGOOYPIWTKR-UHFFFAOYSA-N 0 0 271.160 3.683 10 0 CHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000007214583 170272059 /nfs/dbraw/zinc/27/20/59/170272059.db2.gz NBQOQSGELRSQJT-AWEZNQCLSA-N 0 0 287.746 3.594 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)NC1CCCCCC1 ZINC000007264553 170274483 /nfs/dbraw/zinc/27/44/83/170274483.db2.gz WNCCLKKNIKAXGW-BUHFOSPRSA-N 0 0 287.403 3.938 10 0 CHAERN C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000008277133 170328515 /nfs/dbraw/zinc/32/85/15/170328515.db2.gz UOQSWQOQLXOHPI-ZZUQXNNYSA-N 0 0 261.340 3.534 10 0 CHAERN Cc1cc(C(=O)CN2CCc3ccccc32)c(C)n1C(C)C ZINC000008308297 170330047 /nfs/dbraw/zinc/33/00/47/170330047.db2.gz HWXLTTMVMWGBPP-UHFFFAOYSA-N 0 0 296.414 3.931 10 0 CHAERN Cc1ccc(-c2n[nH]c(CCc3ccccc3)n2)cc1 ZINC000008550623 170339950 /nfs/dbraw/zinc/33/99/50/170339950.db2.gz YYPBXMNPUGRCKT-UHFFFAOYSA-N 0 0 263.344 3.565 10 0 CHAERN Cc1sc(N)c(C(=O)Nc2ccccc2C)c1C ZINC000009246154 170368130 /nfs/dbraw/zinc/36/81/30/170368130.db2.gz RMLHVBFXLNQKRN-UHFFFAOYSA-N 0 0 260.362 3.508 10 0 CHAERN Cc1nc(Oc2cccc(N)c2)cc(-c2ccccc2)n1 ZINC000011849516 170447284 /nfs/dbraw/zinc/44/72/84/170447284.db2.gz DUGUFGSFSHMFIV-UHFFFAOYSA-N 0 0 277.327 3.827 10 0 CHAERN CCCC(=O)Nc1cccc(C(=O)N(CCC)CCC)c1 ZINC000014560819 170637424 /nfs/dbraw/zinc/63/74/24/170637424.db2.gz RTQFPADEEUADSF-UHFFFAOYSA-N 0 0 290.407 3.687 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc3c2NCCC3)cc1C ZINC000019386737 170779815 /nfs/dbraw/zinc/77/98/15/170779815.db2.gz MBKSSAHTEUIYEC-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc3ccccc32)c1N ZINC000019401974 170785290 /nfs/dbraw/zinc/78/52/90/170785290.db2.gz YXCJUBVKXVBXQA-UHFFFAOYSA-N 0 0 276.339 3.983 10 0 CHAERN Cc1cc(C)c(C(=O)Nc2ccc(F)c(N)c2)c(C)c1 ZINC000019403636 170786248 /nfs/dbraw/zinc/78/62/48/170786248.db2.gz FYKYUMBLMYYFNO-UHFFFAOYSA-N 0 0 272.323 3.585 10 0 CHAERN CC1CCC(NC(=O)[C@H]2C[C@H](C)Nc3ccccc32)CC1 ZINC000019474114 170806369 /nfs/dbraw/zinc/80/63/69/170806369.db2.gz HOWVMHLEGTWQIY-HTHKGWQXSA-N 0 0 286.419 3.669 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000019512243 170821171 /nfs/dbraw/zinc/82/11/71/170821171.db2.gz ROXKWBGDYPGFBH-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN NC(=S)CCOc1ccc(Oc2ccccc2)cc1 ZINC000019806149 170875107 /nfs/dbraw/zinc/87/51/07/170875107.db2.gz CVGZIKWCLIEIBP-UHFFFAOYSA-N 0 0 273.357 3.534 10 0 CHAERN CC[C@@H](C)SCCC(=O)Nc1ccc(N)cc1Cl ZINC000019869800 170900603 /nfs/dbraw/zinc/90/06/03/170900603.db2.gz CWFYPBMPSFKTOT-SECBINFHSA-N 0 0 286.828 3.783 10 0 CHAERN COc1ccc(OC)c(N[C@H](C)c2cccc(O)c2)c1 ZINC000019910652 170921666 /nfs/dbraw/zinc/92/16/66/170921666.db2.gz ITOXJJGWNROMQF-LLVKDONJSA-N 0 0 273.332 3.583 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1NC[C@@H]1CCOC1 ZINC000019910804 170921691 /nfs/dbraw/zinc/92/16/91/170921691.db2.gz TUFXTKWWQNYNRX-QMMMGPOBSA-N 0 0 279.689 3.807 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccc(S(C)(=O)=O)cc2)CC(C)(C)C1 ZINC000019917624 170926486 /nfs/dbraw/zinc/92/64/86/170926486.db2.gz CGWPOBIJBAJKOG-OCCSQVGLSA-N 0 0 295.448 3.717 10 0 CHAERN Cc1cc(F)ccc1Nc1ccccc1C(N)=S ZINC000020077063 170984864 /nfs/dbraw/zinc/98/48/64/170984864.db2.gz OIIJGDDJDBNUFK-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN CCC(=O)Nc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000020132145 171020588 /nfs/dbraw/zinc/02/05/88/171020588.db2.gz VGWJMYRMQBSPIP-ZDUSSCGKSA-N 0 0 258.365 3.803 10 0 CHAERN CCCCn1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000020157812 171039237 /nfs/dbraw/zinc/03/92/37/171039237.db2.gz CRCDFEIACGNBKY-SNVBAGLBSA-N 0 0 290.432 3.691 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnco2)cc1 ZINC000020186822 171050618 /nfs/dbraw/zinc/05/06/18/171050618.db2.gz VDAJPIGMLGGCAC-RISCZKNCSA-N 0 0 257.337 3.727 10 0 CHAERN CN(C(=O)c1ccc2ccccc2c1)c1ccc(O)cc1 ZINC000020210580 171073854 /nfs/dbraw/zinc/07/38/54/171073854.db2.gz RXWIWPIXMLMYIC-UHFFFAOYSA-N 0 0 277.323 3.822 10 0 CHAERN NC(=S)c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000020213041 171075700 /nfs/dbraw/zinc/07/57/00/171075700.db2.gz TWTKKLWGIKZFPW-UHFFFAOYSA-N 0 0 276.792 3.586 10 0 CHAERN [NH3+][C@H](CCC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000020217244 171080451 /nfs/dbraw/zinc/08/04/51/171080451.db2.gz VFIDSQYWHBTEMO-OAHLLOKOSA-N 0 0 261.365 3.599 10 0 CHAERN CC(=O)c1ccc(-c2cccc(Br)c2)o1 ZINC000020267820 171124319 /nfs/dbraw/zinc/12/43/19/171124319.db2.gz AXPMOZZOUFIWPY-UHFFFAOYSA-N 0 0 265.106 3.912 10 0 CHAERN CC(C)CNC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020313069 171144926 /nfs/dbraw/zinc/14/49/26/171144926.db2.gz WQEXRBIUWDRGSD-VIFPVBQESA-N 0 0 289.206 3.566 10 0 CHAERN CCC(CC)C(=O)Nc1nc(-c2cccc(N)c2)cs1 ZINC000020336157 171152472 /nfs/dbraw/zinc/15/24/72/171152472.db2.gz MKBIBQHCEHZSKC-UHFFFAOYSA-N 0 0 289.404 3.767 10 0 CHAERN Cc1nn(-c2ccc(C(F)(F)F)cc2N)c(C)c1Cl ZINC000020352029 171156274 /nfs/dbraw/zinc/15/62/74/171156274.db2.gz SDZVQIRAONFESY-UHFFFAOYSA-N 0 0 289.688 3.744 10 0 CHAERN COc1ccccc1COc1ccc(N)cc1Cl ZINC000020351964 171156302 /nfs/dbraw/zinc/15/63/02/171156302.db2.gz JFQOQYMDFIJGJT-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CC(C)CCNc1ccc(I)cc1 ZINC000020359127 171157908 /nfs/dbraw/zinc/15/79/08/171157908.db2.gz USIFRGLIEIIDHH-UHFFFAOYSA-N 0 0 289.160 3.749 10 0 CHAERN C[C@H](Nc1ccc(F)c(F)c1F)C(=O)Nc1ccccc1 ZINC000020359265 171158038 /nfs/dbraw/zinc/15/80/38/171158038.db2.gz WUMGVELROLNDDE-VIFPVBQESA-N 0 0 294.276 3.543 10 0 CHAERN CC(C)CCNc1cccc(I)c1 ZINC000020359780 171159037 /nfs/dbraw/zinc/15/90/37/171159037.db2.gz BBVYLUVGSAZYEX-UHFFFAOYSA-N 0 0 289.160 3.749 10 0 CHAERN COc1cccc(C(=O)c2oc3ccccc3c2C)c1 ZINC000020362320 171160951 /nfs/dbraw/zinc/16/09/51/171160951.db2.gz ZWIHCYLDPBKHDI-UHFFFAOYSA-N 0 0 266.296 3.981 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366568 171165270 /nfs/dbraw/zinc/16/52/70/171165270.db2.gz JNSYFAZCEHOKDX-IUCAKERBSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020368111 171166531 /nfs/dbraw/zinc/16/65/31/171166531.db2.gz UKRVSUBSOWLHEG-BDAKNGLRSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1ccccc1C(C)C ZINC000020368023 171166541 /nfs/dbraw/zinc/16/65/41/171166541.db2.gz KBAADAFVBAAYTE-ZDUSSCGKSA-N 0 0 262.397 3.527 10 0 CHAERN N[C@@H](c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000020369047 171167055 /nfs/dbraw/zinc/16/70/55/171167055.db2.gz REWRFCOGQHAZJS-OAHLLOKOSA-N 0 0 259.255 3.759 10 0 CHAERN Cc1ccc2cc([C@@H](N)c3ccc(F)cc3)oc2c1 ZINC000020389286 171178500 /nfs/dbraw/zinc/17/85/00/171178500.db2.gz HHOWTSFHEFLEFS-INIZCTEOSA-N 0 0 255.292 3.928 10 0 CHAERN Cc1cc(C=O)cc(C)c1OCCc1ccccc1 ZINC000020424554 171191541 /nfs/dbraw/zinc/19/15/41/171191541.db2.gz YDIFPPSYSZZEBN-UHFFFAOYSA-N 0 0 254.329 3.737 10 0 CHAERN CCc1nnc(SCc2ccncc2)n1-c1ccccc1 ZINC000020427129 171192422 /nfs/dbraw/zinc/19/24/22/171192422.db2.gz GTFPDPQLLQEOGQ-UHFFFAOYSA-N 0 0 296.399 3.517 10 0 CHAERN O=C(Cc1ccccn1)c1cc2c(s1)CCCCC2 ZINC000020427314 171192537 /nfs/dbraw/zinc/19/25/37/171192537.db2.gz JBVRSPFMRCHUEC-UHFFFAOYSA-N 0 0 271.385 3.837 10 0 CHAERN COc1cccc(Oc2cccc(Cl)c2CO)c1 ZINC000020435330 171201501 /nfs/dbraw/zinc/20/15/01/171201501.db2.gz NBOCAWZLHZZKIF-UHFFFAOYSA-N 0 0 264.708 3.633 10 0 CHAERN CCCC[C@@H](CC)C(=O)Nc1ccc(F)cc1N ZINC000020481667 171222491 /nfs/dbraw/zinc/22/24/91/171222491.db2.gz CEWIALMPSRPZAH-SNVBAGLBSA-N 0 0 252.333 3.563 10 0 CHAERN C[C@@H]1C[C@@H](Oc2cncc(Cl)n2)CC(C)(C)C1 ZINC000020513843 171231337 /nfs/dbraw/zinc/23/13/37/171231337.db2.gz NOXYMKZFFKBIFN-NXEZZACHSA-N 0 0 254.761 3.724 10 0 CHAERN CCCCCCc1sc(N)c(C(=O)OC)c1C ZINC000020519892 171233472 /nfs/dbraw/zinc/23/34/72/171233472.db2.gz LZJRPDHODVWZFX-UHFFFAOYSA-N 0 0 255.383 3.548 10 0 CHAERN CC(C)(C)c1ccc(Oc2ccc(C(N)=S)cn2)cc1 ZINC000020559693 171251566 /nfs/dbraw/zinc/25/15/66/171251566.db2.gz RPKAACJMGRDYHJ-UHFFFAOYSA-N 0 0 286.400 3.806 10 0 CHAERN Cc1ccc(-n2cc[nH]c2=S)c(Br)c1 ZINC000020581126 171257156 /nfs/dbraw/zinc/25/71/56/171257156.db2.gz SAVXJTPCYOEZDY-UHFFFAOYSA-N 0 0 269.167 3.606 10 0 CHAERN C[C@@H]1CCC[C@@H](n2c(=S)[nH]nc2C2CC2)[C@@H]1C ZINC000020590411 171260741 /nfs/dbraw/zinc/26/07/41/171260741.db2.gz WJBQPMVKHPCTMD-FXPVBKGRSA-N 0 0 251.399 3.815 10 0 CHAERN CCCc1n[nH]c(=S)n1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000020590433 171260838 /nfs/dbraw/zinc/26/08/38/171260838.db2.gz DWLJMENHNQYHGM-GARJFASQSA-N 0 0 253.415 3.890 10 0 CHAERN Clc1ccc(-c2cnnc(N3CCCCCC3)n2)cc1 ZINC000020868107 171276806 /nfs/dbraw/zinc/27/68/06/171276806.db2.gz AIBPQXIRLKMIRX-UHFFFAOYSA-N 0 0 288.782 3.572 10 0 CHAERN CC(=O)Oc1ccc(C)cc1NC(=O)c1ccc(C)c(C)c1 ZINC000020983574 171282698 /nfs/dbraw/zinc/28/26/98/171282698.db2.gz MGMCUBYTEZSHSF-UHFFFAOYSA-N 0 0 297.354 3.789 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 ZINC000021001242 171284735 /nfs/dbraw/zinc/28/47/35/171284735.db2.gz VWJQISZBYPYVEX-CQSZACIVSA-N 0 0 299.370 3.723 10 0 CHAERN CCCC(=O)Nc1ccc(NC(=O)C(C)(C)C)c(C)c1 ZINC000021004705 171284882 /nfs/dbraw/zinc/28/48/82/171284882.db2.gz UELZVUQLEPFCBU-UHFFFAOYSA-N 0 0 276.380 3.718 10 0 CHAERN CCOC(=O)c1c(N)sc2c1-c1ccccc1CCC2 ZINC000021009382 171286141 /nfs/dbraw/zinc/28/61/41/171286141.db2.gz IKWYIPKYFAYMQI-UHFFFAOYSA-N 0 0 287.384 3.663 10 0 CHAERN CCOc1ccc(Cl)cc1C(=O)Nc1nc(C)cs1 ZINC000021023267 171290911 /nfs/dbraw/zinc/29/09/11/171290911.db2.gz CRZWZDAZLITZKB-UHFFFAOYSA-N 0 0 296.779 3.756 10 0 CHAERN CC(C)c1ccccc1Nc1ncccc1C(N)=S ZINC000021502725 171306293 /nfs/dbraw/zinc/30/62/93/171306293.db2.gz RTINOERDWSESBF-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN COc1ccc(N[C@@H](C)CCC(C)C)c(OC)c1 ZINC000021808359 171328355 /nfs/dbraw/zinc/32/83/55/171328355.db2.gz BGHXSBBZWFYXCV-LBPRGKRZSA-N 0 0 251.370 3.940 10 0 CHAERN c1ccc2c(c1)CCN2Cc1ccc2c(c1)CCCN2 ZINC000021811301 171329476 /nfs/dbraw/zinc/32/94/76/171329476.db2.gz KGDOFXLKOQBZJL-UHFFFAOYSA-N 0 0 264.372 3.607 10 0 CHAERN Cc1ccc(NC(=O)[C@@H](C)Nc2cccc(C)c2)cc1 ZINC000021818441 171333606 /nfs/dbraw/zinc/33/36/06/171333606.db2.gz VLZICFKPSFXGKZ-CQSZACIVSA-N 0 0 268.360 3.743 10 0 CHAERN Nc1ccc(NC(=O)C2CCCCC2)cc1C(F)(F)F ZINC000021960297 171342481 /nfs/dbraw/zinc/34/24/81/171342481.db2.gz RJIZTRPFMGROLP-UHFFFAOYSA-N 0 0 286.297 3.806 10 0 CHAERN CCCc1ccc2cc(Br)ccc2n1 ZINC000021987859 171345611 /nfs/dbraw/zinc/34/56/11/171345611.db2.gz KUXDPTKLBTYSPI-UHFFFAOYSA-N 0 0 250.139 3.950 10 0 CHAERN Nc1cc(Cl)ccc1NCc1c(F)cccc1F ZINC000021989545 171346013 /nfs/dbraw/zinc/34/60/13/171346013.db2.gz GROITQGMMDITHZ-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN O=C1c2ccc(F)cc2C[C@H]1Cc1ccc(F)cc1 ZINC000021989880 171346199 /nfs/dbraw/zinc/34/61/99/171346199.db2.gz WDYSYBGYFHZJAI-GFCCVEGCSA-N 0 0 258.267 3.563 10 0 CHAERN CC(C)COC(=O)CCc1ccccc1OCC(C)C ZINC000021993266 171346550 /nfs/dbraw/zinc/34/65/50/171346550.db2.gz MXMATQXUTFLMDI-UHFFFAOYSA-N 0 0 278.392 3.853 10 0 CHAERN C[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000021996859 171347630 /nfs/dbraw/zinc/34/76/30/171347630.db2.gz YKJJINLOTHGNPP-BDJLRTHQSA-N 0 0 274.747 3.892 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1ccc(C=O)cc1F ZINC000022147801 171357017 /nfs/dbraw/zinc/35/70/17/171357017.db2.gz QLUXCGXSJFGIDE-GXTWGEPZSA-N 0 0 250.313 3.986 10 0 CHAERN COc1ccc(NC(=O)Nc2cccc(Cl)c2)c(N)c1 ZINC000022148325 171357563 /nfs/dbraw/zinc/35/75/63/171357563.db2.gz VRNDBWWRKWIVHL-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN O=Cc1c(Sc2cc(F)ccc2F)nc2sccn12 ZINC000022158539 171363552 /nfs/dbraw/zinc/36/35/52/171363552.db2.gz GOIUGWDGVQNIMK-UHFFFAOYSA-N 0 0 296.323 3.638 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)CCOC1CCCCC1 ZINC000022173762 171369543 /nfs/dbraw/zinc/36/95/43/171369543.db2.gz TXJHUUXBPPVXCO-UHFFFAOYSA-N 0 0 296.798 3.600 10 0 CHAERN CCNc1nc(-c2ccsc2)nc2ccccc21 ZINC000022797454 171399418 /nfs/dbraw/zinc/39/94/18/171399418.db2.gz DIUWVCFKHCEMPY-UHFFFAOYSA-N 0 0 255.346 3.790 10 0 CHAERN CCn1c(C)cc(C(=O)Cn2ccc3ccccc32)c1C ZINC000026103109 171471839 /nfs/dbraw/zinc/47/18/39/171471839.db2.gz IPUYXNVDHWYTEK-UHFFFAOYSA-N 0 0 280.371 3.962 10 0 CHAERN Cc1ccc([C@@H]2C[C@H]2c2nnc(Br)s2)cc1 ZINC000026438915 171484227 /nfs/dbraw/zinc/48/42/27/171484227.db2.gz OCGBMLRGJLAQIM-VHSXEESVSA-N 0 0 295.205 3.880 10 0 CHAERN Cc1nn(-c2ccc(C)cc2)c2c1c(=O)oc1ccccc21 ZINC000026750786 171498439 /nfs/dbraw/zinc/49/84/39/171498439.db2.gz JLDMZWPPTDNQSP-UHFFFAOYSA-N 0 0 290.322 3.749 10 0 CHAERN Cc1cccc(N(C)c2cc(Cl)nc(N(C)C)n2)c1C ZINC000029388691 171596449 /nfs/dbraw/zinc/59/64/49/171596449.db2.gz VMVCNVYHEJWIOL-UHFFFAOYSA-N 0 0 290.798 3.581 10 0 CHAERN O=C(c1ccc2c(c1)CCN2)c1cccc(Cl)c1 ZINC000032110430 171702618 /nfs/dbraw/zinc/70/26/18/171702618.db2.gz QSNZKXGQZVMPML-UHFFFAOYSA-N 0 0 257.720 3.539 10 0 CHAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1nccs1 ZINC000033317322 171782678 /nfs/dbraw/zinc/78/26/78/171782678.db2.gz BDUNDILDPOOVRV-PLNGDYQASA-N 0 0 282.727 3.588 10 0 CHAERN CCOc1cc(C=O)ccc1O[C@H]1CCC[C@H](C)C1 ZINC000033425799 171793245 /nfs/dbraw/zinc/79/32/45/171793245.db2.gz SUXGWTLHZCKUOR-JSGCOSHPSA-N 0 0 262.349 3.855 10 0 CHAERN Fc1ccc(-c2cn3ccccc3n2)cc1Br ZINC000034040485 171829949 /nfs/dbraw/zinc/82/99/49/171829949.db2.gz YVYXKVLJIXHSKV-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncnc(Cl)c2C)cc1 ZINC000034766779 171866295 /nfs/dbraw/zinc/86/62/95/171866295.db2.gz GGYXNBKPSOHYDW-LLVKDONJSA-N 0 0 261.756 3.920 10 0 CHAERN CC(C)N1C(=O)[C@H](c2ccccc2)OC12CCCCC2 ZINC000034784097 171867120 /nfs/dbraw/zinc/86/71/20/171867120.db2.gz QCWISSRKZJSPPZ-HNNXBMFYSA-N 0 0 273.376 3.655 10 0 CHAERN COC(=O)c1cccc(N[C@H](C)c2cccs2)c1 ZINC000034961039 171905947 /nfs/dbraw/zinc/90/59/47/171905947.db2.gz NGHZSUPZYSFDTD-SNVBAGLBSA-N 0 0 261.346 3.708 10 0 CHAERN C[C@H](Nc1ccccc1CO)c1nc2ccccc2s1 ZINC000034979607 171912152 /nfs/dbraw/zinc/91/21/52/171912152.db2.gz TZBTWWYJZYWWBV-NSHDSACASA-N 0 0 284.384 3.962 10 0 CHAERN COC(=O)c1ccc(Cl)cc1NCc1cccs1 ZINC000035036424 171941957 /nfs/dbraw/zinc/94/19/57/171941957.db2.gz XIIXRBZHVSPUOV-UHFFFAOYSA-N 0 0 281.764 3.800 10 0 CHAERN CCCCCNc1cc(C(=O)OC)ccc1Cl ZINC000035037233 171943454 /nfs/dbraw/zinc/94/34/54/171943454.db2.gz WKZDZGKJKRAAKK-UHFFFAOYSA-N 0 0 255.745 3.729 10 0 CHAERN CCc1ccc(CN(C)c2ccc(N)c(C)c2)cc1 ZINC000035149768 172012511 /nfs/dbraw/zinc/01/25/11/172012511.db2.gz MAEMQOJIDBSFCZ-UHFFFAOYSA-N 0 0 254.377 3.776 10 0 CHAERN FC(F)(F)Oc1ccc(NC[C@H]2CCCCO2)cc1 ZINC000035150765 172013636 /nfs/dbraw/zinc/01/36/36/172013636.db2.gz MGMMPGDHXQYQON-GFCCVEGCSA-N 0 0 275.270 3.566 10 0 CHAERN Cc1cc(Cl)ccc1OCc1nnsc1Cl ZINC000035163595 172024353 /nfs/dbraw/zinc/02/43/53/172024353.db2.gz ADUAHMUQDSGCFT-UHFFFAOYSA-N 0 0 275.160 3.732 10 0 CHAERN COc1cccc(OCC(=O)c2ccccc2Cl)c1 ZINC000035182799 172036111 /nfs/dbraw/zinc/03/61/11/172036111.db2.gz KWRKJLRFNCCBKD-UHFFFAOYSA-N 0 0 276.719 3.610 10 0 CHAERN CCc1ccc(C(=O)COc2ccc(F)cc2)cc1 ZINC000035183834 172037238 /nfs/dbraw/zinc/03/72/38/172037238.db2.gz JNPDNDBNEWYSTB-UHFFFAOYSA-N 0 0 258.292 3.650 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000035184095 172037246 /nfs/dbraw/zinc/03/72/46/172037246.db2.gz KKWBMLSFDLXAJU-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1cccc(OCC(=O)c2cc(F)ccc2F)c1C ZINC000035184331 172038142 /nfs/dbraw/zinc/03/81/42/172038142.db2.gz JRRYTVWPHNGEQT-UHFFFAOYSA-N 0 0 276.282 3.843 10 0 CHAERN O=C(COc1ccc2ccccc2c1)c1ccco1 ZINC000035184267 172038239 /nfs/dbraw/zinc/03/82/39/172038239.db2.gz OUHIBNDIYQSJKN-UHFFFAOYSA-N 0 0 252.269 3.695 10 0 CHAERN COC(=O)c1occc1CN[C@H](C)c1cc(C)ccc1C ZINC000035223058 172067343 /nfs/dbraw/zinc/06/73/43/172067343.db2.gz PDBDKXZWJCLAED-CYBMUJFWSA-N 0 0 287.359 3.534 10 0 CHAERN CC(C)Cn1nc(-c2cccc(Br)c2)cc1N ZINC000035276999 172096686 /nfs/dbraw/zinc/09/66/86/172096686.db2.gz OPNIMMBUNJCQSY-UHFFFAOYSA-N 0 0 294.196 3.551 10 0 CHAERN Nc1ccc(Nc2cccc(F)c2)c2cccnc12 ZINC000035340672 172133099 /nfs/dbraw/zinc/13/30/99/172133099.db2.gz FPLQTWRFIHHIJT-UHFFFAOYSA-N 0 0 253.280 3.700 10 0 CHAERN O=C(c1ccco1)c1c[nH]c2ccc(Br)cc21 ZINC000035369510 172161748 /nfs/dbraw/zinc/16/17/48/172161748.db2.gz ZVRMJPWBQGGGIB-UHFFFAOYSA-N 0 0 290.116 3.754 10 0 CHAERN Nc1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1Cl ZINC000035412246 172183555 /nfs/dbraw/zinc/18/35/55/172183555.db2.gz YWTONHOZCNVAQE-UHFFFAOYSA-N 0 0 279.677 3.744 10 0 CHAERN COc1ccc(C(=O)c2ccc(F)cc2Cl)cc1F ZINC000035424007 172192921 /nfs/dbraw/zinc/19/29/21/172192921.db2.gz GMLVXEWDDLJYLD-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN CCN[C@@H](c1cc(OC)c(OC)cc1Cl)C(F)(F)F ZINC000035557504 172262573 /nfs/dbraw/zinc/26/25/73/172262573.db2.gz HSGRHHNUEQRVTJ-NSHDSACASA-N 0 0 297.704 3.570 10 0 CHAERN CCCN[C@H](c1ccc2c(c1)CCC2)C(F)(F)F ZINC000035583071 172281081 /nfs/dbraw/zinc/28/10/81/172281081.db2.gz JOKIKWRTCDGFOK-CYBMUJFWSA-N 0 0 257.299 3.778 10 0 CHAERN C[C@@H](O)c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000035626318 172305316 /nfs/dbraw/zinc/30/53/16/172305316.db2.gz LEXAUQJZCHXSIL-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1ccccc1OCc1cccc(Cl)c1 ZINC000035627030 172305652 /nfs/dbraw/zinc/30/56/52/172305652.db2.gz NZFPJXPMOPEUFK-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN Cc1cccc(COc2ccc(C)cc2[C@@H](C)O)c1 ZINC000035630416 172311458 /nfs/dbraw/zinc/31/14/58/172311458.db2.gz RCADEANMKNZNAQ-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN COc1ccc(COc2ccc(C)cc2[C@@H](C)O)cc1 ZINC000035630380 172311775 /nfs/dbraw/zinc/31/17/75/172311775.db2.gz ALDJHPSMIHEMCB-CYBMUJFWSA-N 0 0 272.344 3.636 10 0 CHAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000035632013 172314383 /nfs/dbraw/zinc/31/43/83/172314383.db2.gz PRZMYYXKUFWPKM-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1Oc1cccc(F)c1 ZINC000035632355 172314856 /nfs/dbraw/zinc/31/48/56/172314856.db2.gz WKLOVXOYSSGZOO-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN C[C@@H](O)c1ccc(Oc2cccc(F)c2)c(F)c1 ZINC000035632351 172314945 /nfs/dbraw/zinc/31/49/45/172314945.db2.gz DJRYSQVKJLTHNR-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1Oc1ccccc1F ZINC000035632193 172315051 /nfs/dbraw/zinc/31/50/51/172315051.db2.gz GOIHKSYJRPWTES-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COc1ccc(SCc2cccc(N)c2C)cc1 ZINC000035649523 172325838 /nfs/dbraw/zinc/32/58/38/172325838.db2.gz GQZSMKCXCJKUFW-UHFFFAOYSA-N 0 0 259.374 3.878 10 0 CHAERN Cc1c(N)cccc1COc1ccc2c(c1)CCC2 ZINC000035649438 172326163 /nfs/dbraw/zinc/32/61/63/172326163.db2.gz PUHYLAKFKMEPAJ-UHFFFAOYSA-N 0 0 253.345 3.645 10 0 CHAERN COCCc1ccc(Oc2ccccc2[C@H](C)O)cc1 ZINC000035650753 172326640 /nfs/dbraw/zinc/32/66/40/172326640.db2.gz OTGXCKHAQMCFRA-ZDUSSCGKSA-N 0 0 272.344 3.721 10 0 CHAERN FC(F)(F)Oc1ccccc1NC1CCSCC1 ZINC000035651926 172327921 /nfs/dbraw/zinc/32/79/21/172327921.db2.gz UTTATRSXMQPXBT-UHFFFAOYSA-N 0 0 277.311 3.893 10 0 CHAERN Nc1ccc(Nc2ccc(Cl)c(Cl)c2)c2nonc21 ZINC000035675544 172345805 /nfs/dbraw/zinc/34/58/05/172345805.db2.gz TXIIUSBAHVWKEZ-UHFFFAOYSA-N 0 0 295.129 3.855 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719487 172374003 /nfs/dbraw/zinc/37/40/03/172374003.db2.gz ZFWYWIZZLWFBHP-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN CC(C)Oc1nc(N[C@@H](C)c2cccs2)ccc1N ZINC000035736724 172390038 /nfs/dbraw/zinc/39/00/38/172390038.db2.gz KYLDMDILJSAXAH-JTQLQIEISA-N 0 0 277.393 3.686 10 0 CHAERN Nc1cc(-c2ccccc2)nc2c(F)ccc(F)c12 ZINC000036075682 172431879 /nfs/dbraw/zinc/43/18/79/172431879.db2.gz CTHKQTDZYZWDCT-UHFFFAOYSA-N 0 0 256.255 3.762 10 0 CHAERN Cc1n[nH]c(C)c1C(=O)Nc1cc(Cl)ccc1Cl ZINC000036165094 172482225 /nfs/dbraw/zinc/48/22/25/172482225.db2.gz BAOOMVXUBLTTTD-UHFFFAOYSA-N 0 0 284.146 3.586 10 0 CHAERN COc1ccc([C@H](O)C2CCCCC2)cc1Cl ZINC000036172659 172491650 /nfs/dbraw/zinc/49/16/50/172491650.db2.gz KUKQDFHKBURKAH-CQSZACIVSA-N 0 0 254.757 3.962 10 0 CHAERN Cc1n[nH]c(C)c1N[C@H](C)c1ccccc1Br ZINC000036736058 172666718 /nfs/dbraw/zinc/66/67/18/172666718.db2.gz CEMDFQFXVZBMFQ-MRVPVSSYSA-N 0 0 294.196 3.962 10 0 CHAERN CC(C)c1nc([C@@H](N)c2cccc(Cl)c2Cl)no1 ZINC000036763617 172681962 /nfs/dbraw/zinc/68/19/62/172681962.db2.gz CTYKMGXOPDCXCF-JTQLQIEISA-N 0 0 286.162 3.548 10 0 CHAERN C[C@@H](Nc1cc(C(N)=O)ccc1Cl)c1ccccc1 ZINC000036943460 172818898 /nfs/dbraw/zinc/81/88/98/172818898.db2.gz AXDMGXBROLDQNL-SNVBAGLBSA-N 0 0 274.751 3.612 10 0 CHAERN CC[C@@H](C)CN(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172826 173006369 /nfs/dbraw/zinc/00/63/69/173006369.db2.gz WXLCIIYOSCEZKM-SECBINFHSA-N 0 0 260.303 3.770 10 0 CHAERN CCCc1nc(CSc2ccc(N)cc2)cs1 ZINC000037181834 173013412 /nfs/dbraw/zinc/01/34/12/173013412.db2.gz IROFZWOBAQCPEA-UHFFFAOYSA-N 0 0 264.419 3.970 10 0 CHAERN Nc1ccc(SCc2nnc(-c3cccs3)o2)cc1 ZINC000037182173 173014244 /nfs/dbraw/zinc/01/42/44/173014244.db2.gz ZKVPIZKQVFPMAW-UHFFFAOYSA-N 0 0 289.385 3.673 10 0 CHAERN CC(C)Oc1ccccc1CNc1cccc(O)c1 ZINC000037237785 173055193 /nfs/dbraw/zinc/05/51/93/173055193.db2.gz REIKFURDCSVWSH-UHFFFAOYSA-N 0 0 257.333 3.792 10 0 CHAERN CC(C)CCOc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000037306625 173110501 /nfs/dbraw/zinc/11/05/01/173110501.db2.gz NPEJFZBTZGEPMI-UHFFFAOYSA-N 0 0 291.338 3.765 10 0 CHAERN COC(=O)c1ccc(NC2CCCCCCC2)cc1 ZINC000037307641 173110580 /nfs/dbraw/zinc/11/05/80/173110580.db2.gz ZUTAEIJMFDYCHT-UHFFFAOYSA-N 0 0 261.365 3.998 10 0 CHAERN CN(C)c1ccc(Cl)cc1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037316283 173117586 /nfs/dbraw/zinc/11/75/86/173117586.db2.gz IFRQREAPYCOOFJ-KGYLQXTDSA-N 0 0 262.784 3.783 10 0 CHAERN CCCCCNc1ccc(C(F)(F)F)cc1C(N)=S ZINC000037334389 173135229 /nfs/dbraw/zinc/13/52/29/173135229.db2.gz DWSVFCXOSZZBLY-UHFFFAOYSA-N 0 0 290.354 3.942 10 0 CHAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccccc2C)cc1 ZINC000037348240 173143885 /nfs/dbraw/zinc/14/38/85/173143885.db2.gz TYTRKXZDVUCFCP-UHFFFAOYSA-N 0 0 263.344 3.943 10 0 CHAERN CCC(CC)c1nn(C)c(N)c1-c1ccccc1C ZINC000037351257 173144559 /nfs/dbraw/zinc/14/45/59/173144559.db2.gz UFCRPPZGFZSKGJ-UHFFFAOYSA-N 0 0 257.381 3.881 10 0 CHAERN CCOc1ccc(-c2c(N)onc2[C@@H](C)CC)cc1 ZINC000037351017 173144684 /nfs/dbraw/zinc/14/46/84/173144684.db2.gz PJDHHFNIHXURDM-JTQLQIEISA-N 0 0 260.337 3.836 10 0 CHAERN CCOc1ccc(C(=O)Cc2ccccc2)cc1OCC ZINC000037354460 173146888 /nfs/dbraw/zinc/14/68/88/173146888.db2.gz BSFRQHVZIDTUDB-UHFFFAOYSA-N 0 0 284.355 3.909 10 0 CHAERN O=C(c1ccc(F)c(F)c1)c1c(F)cc(F)cc1F ZINC000037358895 173148499 /nfs/dbraw/zinc/14/84/99/173148499.db2.gz FBMQSORAHFQFFF-UHFFFAOYSA-N 0 0 272.172 3.613 10 0 CHAERN COc1ccc(C(=O)c2cc(C)sc2C)c(OC)c1 ZINC000037362021 173151824 /nfs/dbraw/zinc/15/18/24/173151824.db2.gz LDUJNBBLKBOHEC-UHFFFAOYSA-N 0 0 276.357 3.613 10 0 CHAERN O=C(Cc1ccccc1F)c1nc2ccccc2s1 ZINC000037374316 173163839 /nfs/dbraw/zinc/16/38/39/173163839.db2.gz RPVASQDBNXTEAZ-UHFFFAOYSA-N 0 0 271.316 3.861 10 0 CHAERN CC1CCC(Nc2ccc3ncccc3c2N)CC1 ZINC000037377627 173165970 /nfs/dbraw/zinc/16/59/70/173165970.db2.gz CJZOWFOWOFMXTJ-UHFFFAOYSA-N 0 0 255.365 3.808 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1N ZINC000037377580 173166232 /nfs/dbraw/zinc/16/62/32/173166232.db2.gz WKFIYRLQTHBOQD-YPMHNXCESA-N 0 0 255.365 3.808 10 0 CHAERN Nc1c(Oc2ccccc2F)ccc2ncccc12 ZINC000037378377 173166489 /nfs/dbraw/zinc/16/64/89/173166489.db2.gz SYYGVEMPXXSTHI-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN COc1cccc(OCc2cc(N)ccc2Cl)c1 ZINC000037403275 173179412 /nfs/dbraw/zinc/17/94/12/173179412.db2.gz OEGGNYXYFUPOOS-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN COc1cccc(-n2c3cccc(F)c3[nH]c2=S)c1 ZINC000037422713 173198286 /nfs/dbraw/zinc/19/82/86/173198286.db2.gz KWUBQNNGVAYQTO-UHFFFAOYSA-N 0 0 274.320 3.836 10 0 CHAERN CCCc1cc(=O)[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000037425081 173199064 /nfs/dbraw/zinc/19/90/64/173199064.db2.gz QHUXENCUKQUYDN-UHFFFAOYSA-N 0 0 283.158 3.696 10 0 CHAERN COc1ccc(C(=O)c2occc2C)c(Br)c1 ZINC000037444711 173211912 /nfs/dbraw/zinc/21/19/12/173211912.db2.gz VUTJEOLYBZRGOA-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN COc1ccc([C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532019 173253221 /nfs/dbraw/zinc/25/32/21/173253221.db2.gz BVNMXSDVMIINHI-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN O=C(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037531910 173253612 /nfs/dbraw/zinc/25/36/12/173253612.db2.gz IQPGMMUBUVFNPF-UHFFFAOYSA-N 0 0 289.172 3.803 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1cccc(Cl)c1 ZINC000037532474 173253949 /nfs/dbraw/zinc/25/39/49/173253949.db2.gz NEKJTSSWDVUEEJ-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN COc1ccccc1[C@H](O)c1ccc(C(C)C)cc1 ZINC000037532423 173254104 /nfs/dbraw/zinc/25/41/04/173254104.db2.gz HHZKFJIPHNKVBX-QGZVFWFLSA-N 0 0 256.345 3.900 10 0 CHAERN Cn1ccc(N[C@H]2CCCC[C@@H]2c2ccccc2)n1 ZINC000037560744 173271139 /nfs/dbraw/zinc/27/11/39/173271139.db2.gz OWHLQCQCZWNNTG-CABCVRRESA-N 0 0 255.365 3.558 10 0 CHAERN Cc1ccc(CNc2cccc(N3CCCC3)c2)o1 ZINC000037775086 173707397 /nfs/dbraw/zinc/70/73/97/173707397.db2.gz BZBOSBSLHXVAFE-UHFFFAOYSA-N 0 0 256.349 3.800 10 0 CHAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1cc[nH]n1 ZINC000037906398 173839557 /nfs/dbraw/zinc/83/95/57/173839557.db2.gz QDRDOUCBQFCKNK-SECBINFHSA-N 0 0 265.744 3.553 10 0 CHAERN CC[C@H]1CCCN1CC(=O)c1ccccc1Br ZINC000037914496 173848513 /nfs/dbraw/zinc/84/85/13/173848513.db2.gz DUSQAABLDFDOOE-NSHDSACASA-N 0 0 296.208 3.506 10 0 CHAERN NC(=O)C1(Nc2ccccc2Cl)CCCCCCC1 ZINC000037942359 173882398 /nfs/dbraw/zinc/88/23/98/173882398.db2.gz AOGWIVTYPIYAJB-UHFFFAOYSA-N 0 0 280.799 3.720 10 0 CHAERN COC(=O)[C@@H](Nc1ccccc1Cl)[C@@H]1CC=CCC1 ZINC000037955254 173896787 /nfs/dbraw/zinc/89/67/87/173896787.db2.gz ITGIMKWNSNPNBJ-RISCZKNCSA-N 0 0 279.767 3.650 10 0 CHAERN COC(=O)[C@](C)(CCC(C)C)Nc1cccc(C)c1 ZINC000037958050 173900278 /nfs/dbraw/zinc/90/02/78/173900278.db2.gz JXXOZEHXFWGYGK-INIZCTEOSA-N 0 0 263.381 3.775 10 0 CHAERN CCOC(=O)[C@H](CC(C)C)Nc1ccc(Cl)cc1 ZINC000037962657 173905372 /nfs/dbraw/zinc/90/53/72/173905372.db2.gz ISOCEYMOQOAHCA-ZDUSSCGKSA-N 0 0 269.772 3.730 10 0 CHAERN COC(=O)[C@H](Nc1ccc(Cl)cc1)C1CCCCC1 ZINC000037962536 173905559 /nfs/dbraw/zinc/90/55/59/173905559.db2.gz RHRUUFFHFKUYLD-CQSZACIVSA-N 0 0 281.783 3.874 10 0 CHAERN C[C@@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc2ccccc21 ZINC000037968871 173916890 /nfs/dbraw/zinc/91/68/90/173916890.db2.gz BATLJHNJQJVOEV-SFHVURJKSA-N 0 0 283.371 3.672 10 0 CHAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1ccccc1Cl ZINC000037970544 173920898 /nfs/dbraw/zinc/92/08/98/173920898.db2.gz WZINIWYXVQXNFD-INIZCTEOSA-N 0 0 295.810 3.651 10 0 CHAERN CCOC(=O)[C@@H](NC1CCCCC1)c1ccccc1C ZINC000037972212 173924874 /nfs/dbraw/zinc/92/48/74/173924874.db2.gz GRYNWIDDCVJRGQ-INIZCTEOSA-N 0 0 275.392 3.522 10 0 CHAERN COC(=O)[C@](C)(NC1CCCCCC1)c1ccccc1F ZINC000037972588 173925583 /nfs/dbraw/zinc/92/55/83/173925583.db2.gz PBMSTJGSKDGTOQ-QGZVFWFLSA-N 0 0 293.382 3.526 10 0 CHAERN CCc1ccc([C@@H](C)Nc2ccc(Cl)nn2)cc1 ZINC000038012779 173981938 /nfs/dbraw/zinc/98/19/38/173981938.db2.gz WYQDGJCKSYEXEF-SNVBAGLBSA-N 0 0 261.756 3.866 10 0 CHAERN Nc1cc(F)c(OCc2ccccc2Cl)c(F)c1 ZINC000038040307 174040503 /nfs/dbraw/zinc/04/05/03/174040503.db2.gz NQEXMRFQAKTGCM-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN CCc1ccc(C(=O)[C@@H](C)n2cc(Cl)cn2)cc1 ZINC000038053830 174065250 /nfs/dbraw/zinc/06/52/50/174065250.db2.gz HMOQMGOKEPXZPC-SNVBAGLBSA-N 0 0 262.740 3.543 10 0 CHAERN CCc1nc(COc2cccc3c2NCCC3)cs1 ZINC000038056221 174066793 /nfs/dbraw/zinc/06/67/93/174066793.db2.gz SBPQDICHEKJSSE-UHFFFAOYSA-N 0 0 274.389 3.643 10 0 CHAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000038066413 174077680 /nfs/dbraw/zinc/07/76/80/174077680.db2.gz JXXDMKJCTWRWLX-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000038066820 174078593 /nfs/dbraw/zinc/07/85/93/174078593.db2.gz FDHVXTUHOQCVHV-PELKAZGASA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1ccccc1Cl ZINC000038067679 174079096 /nfs/dbraw/zinc/07/90/96/174079096.db2.gz VRGNEMRZDOVDIH-XHDPSFHLSA-N 0 0 283.799 3.506 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1ccccc1Cl ZINC000038067677 174079264 /nfs/dbraw/zinc/07/92/64/174079264.db2.gz VRGNEMRZDOVDIH-NHYWBVRUSA-N 0 0 283.799 3.506 10 0 CHAERN CCCCCC[C@@](C)(N[C@H](C)CC)C(=O)OCC ZINC000038067939 174080071 /nfs/dbraw/zinc/08/00/71/174080071.db2.gz FOUWBTDIIWOUGG-UKRRQHHQSA-N 0 0 257.418 3.667 10 0 CHAERN O=Cc1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000038071796 174082836 /nfs/dbraw/zinc/08/28/36/174082836.db2.gz PYQUDVYDAFBYDQ-UHFFFAOYSA-N 0 0 254.182 3.723 10 0 CHAERN COc1cccc(CNc2ccc(N)cc2Cl)c1 ZINC000038077971 174088310 /nfs/dbraw/zinc/08/83/10/174088310.db2.gz BCJLITGYMBSDLP-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN FC(F)(F)c1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000038082170 174091227 /nfs/dbraw/zinc/09/12/27/174091227.db2.gz BFCZLIJQUMUYQD-UHFFFAOYSA-N 0 0 274.629 3.941 10 0 CHAERN CN(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1F ZINC000038247834 174138247 /nfs/dbraw/zinc/13/82/47/174138247.db2.gz WVBIMCBCDDEUIR-UHFFFAOYSA-N 0 0 296.345 3.622 10 0 CHAERN Cc1noc(C)c1-c1ccc(Br)cc1 ZINC000038525716 174143595 /nfs/dbraw/zinc/14/35/95/174143595.db2.gz LTYXQWMMYUVTOJ-UHFFFAOYSA-N 0 0 252.111 3.721 10 0 CHAERN CCOC(=O)c1nc(-c2ccccc2OC)sc1Cl ZINC000039121843 174163077 /nfs/dbraw/zinc/16/30/77/174163077.db2.gz JHIFFINXOUTZCB-UHFFFAOYSA-N 0 0 297.763 3.649 10 0 CHAERN O=C(Cn1ccnc1)c1ccc(Cl)c(Cl)c1Cl ZINC000039139935 174164410 /nfs/dbraw/zinc/16/44/10/174164410.db2.gz GBJGCFUUYUYALL-UHFFFAOYSA-N 0 0 289.549 3.726 10 0 CHAERN CCOc1cc2cc([C@@H](C)O)c(Cl)nc2cc1OCC ZINC000039630367 174170707 /nfs/dbraw/zinc/17/07/07/174170707.db2.gz AHLXZNWPKOXMGW-SECBINFHSA-N 0 0 295.766 3.739 10 0 CHAERN CCCCSc1nnc(NC(=O)CCCC)s1 ZINC000039989254 174182097 /nfs/dbraw/zinc/18/20/97/174182097.db2.gz SUYPYYZBMHTSCJ-UHFFFAOYSA-N 0 0 273.427 3.559 10 0 CHAERN COc1ccc(CNc2cccc(F)c2F)cc1F ZINC000040229825 174209188 /nfs/dbraw/zinc/20/91/88/174209188.db2.gz KLNZCKNIKZWPBF-UHFFFAOYSA-N 0 0 267.250 3.725 10 0 CHAERN O=C1CCCc2cc([C@H](O)C3CCCCC3)ccc2N1 ZINC000040261233 174217205 /nfs/dbraw/zinc/21/72/05/174217205.db2.gz XXSKDBSOBVWXQY-QGZVFWFLSA-N 0 0 273.376 3.575 10 0 CHAERN Cc1cc2nc(CO)n(CCCc3ccccc3)c2cc1C ZINC000040308912 174229664 /nfs/dbraw/zinc/22/96/64/174229664.db2.gz DJMDXBZLKQCQOC-UHFFFAOYSA-N 0 0 294.398 3.778 10 0 CHAERN CCc1ccccc1NC(=O)c1ccc2[nH]c(C)nc2c1 ZINC000040311870 174231203 /nfs/dbraw/zinc/23/12/03/174231203.db2.gz ALOBTRDHCYSXCM-UHFFFAOYSA-N 0 0 279.343 3.686 10 0 CHAERN Nc1cccc(OCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000040353531 174245274 /nfs/dbraw/zinc/24/52/74/174245274.db2.gz RHZRJSWNSBKZIV-UHFFFAOYSA-N 0 0 296.153 3.837 10 0 CHAERN CCOCCCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040403257 174253834 /nfs/dbraw/zinc/25/38/34/174253834.db2.gz SKEZYUKKOKGXCB-UHFFFAOYSA-N 0 0 278.783 3.994 10 0 CHAERN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1n[nH]c(=S)[nH]1 ZINC000040541897 174322770 /nfs/dbraw/zinc/32/27/70/174322770.db2.gz FUERWRKUCNGWOI-NJGYIYPDSA-N 0 0 264.181 3.526 10 0 CHAERN CCCCn1nc(Cc2ccccc2)c2ccccc2c1=O ZINC000040556590 174331079 /nfs/dbraw/zinc/33/10/79/174331079.db2.gz LPRGLJQTSRFVNS-UHFFFAOYSA-N 0 0 292.382 3.787 10 0 CHAERN Nc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1 ZINC000040571674 174338635 /nfs/dbraw/zinc/33/86/35/174338635.db2.gz WNQNFGRWDBWZFJ-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN Cc1cc(C)cc(Oc2ncnc(NC(C)(C)C)c2N)c1 ZINC000040680343 174374762 /nfs/dbraw/zinc/37/47/62/174374762.db2.gz VRWYMODYMDBQCF-UHFFFAOYSA-N 0 0 286.379 3.678 10 0 CHAERN CC(C)(C)Nc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040680592 174375120 /nfs/dbraw/zinc/37/51/20/174375120.db2.gz AXRPOFAXDCDUMV-UHFFFAOYSA-N 0 0 291.786 3.666 10 0 CHAERN Cc1ccc(Cl)cc1Nc1ncnc(NC(C)C)c1N ZINC000040704777 174379158 /nfs/dbraw/zinc/37/91/58/174379158.db2.gz UPOQVCKBBZROQK-UHFFFAOYSA-N 0 0 291.786 3.585 10 0 CHAERN CCCCNc1ncnc(Nc2ccccc2Cl)c1N ZINC000040706561 174379693 /nfs/dbraw/zinc/37/96/93/174379693.db2.gz XAHPPEXXRYUJJM-UHFFFAOYSA-N 0 0 291.786 3.668 10 0 CHAERN CCCNc1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040705974 174379866 /nfs/dbraw/zinc/37/98/66/174379866.db2.gz IWBFBVGIOCLLSD-UHFFFAOYSA-N 0 0 285.395 3.748 10 0 CHAERN CCOc1ccccc1-c1csc(NC(=O)CC)n1 ZINC000040925406 174435136 /nfs/dbraw/zinc/43/51/36/174435136.db2.gz KNCZTDUTHFQPSJ-UHFFFAOYSA-N 0 0 276.361 3.557 10 0 CHAERN Cc1cccc(COc2ccc([C@H](C)O)cc2C)c1 ZINC000041326742 174523097 /nfs/dbraw/zinc/52/30/97/174523097.db2.gz PIRKIJAGBFTVBO-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN CC[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)C(C)C ZINC000042550662 174789874 /nfs/dbraw/zinc/78/98/74/174789874.db2.gz DNHBADKQPSUUMI-SNVBAGLBSA-N 0 0 275.179 3.553 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc(N)cc2F)s1 ZINC000042599534 174815958 /nfs/dbraw/zinc/81/59/58/174815958.db2.gz YMUUYRQMGPEDLK-VIFPVBQESA-N 0 0 250.342 3.951 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@@H]2CCCC[C@@H]2C)c(F)c1 ZINC000042608610 174822040 /nfs/dbraw/zinc/82/20/40/174822040.db2.gz DISKYQKXIXSMMY-YWPYICTPSA-N 0 0 265.372 3.894 10 0 CHAERN O[C@H]1CCCC[C@@H]1Cc1ccc(Br)s1 ZINC000043658211 175085729 /nfs/dbraw/zinc/08/57/29/175085729.db2.gz IUPUXHFFSUBVHT-SCZZXKLOSA-N 0 0 275.211 3.604 10 0 CHAERN Cc1nn(Cc2cc(Cl)cc(Cl)c2)c(N)c1Cl ZINC000043667917 175086702 /nfs/dbraw/zinc/08/67/02/175086702.db2.gz FQJRXWSNDLJDRC-UHFFFAOYSA-N 0 0 290.581 3.782 10 0 CHAERN Oc1cccc(OCc2sccc2Br)c1 ZINC000043676077 175088237 /nfs/dbraw/zinc/08/82/37/175088237.db2.gz WQHRLZYDRFVGJR-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN Brc1ccsc1COC[C@H]1CCCCO1 ZINC000043679501 175090244 /nfs/dbraw/zinc/09/02/44/175090244.db2.gz NXTVZDMSZMJUSY-SECBINFHSA-N 0 0 291.210 3.596 10 0 CHAERN OCc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687700 175094839 /nfs/dbraw/zinc/09/48/39/175094839.db2.gz OMBUVKRJTLKESY-UHFFFAOYSA-N 0 0 299.189 3.582 10 0 CHAERN CCCCCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000043826649 175115017 /nfs/dbraw/zinc/11/50/17/175115017.db2.gz ILQFGASTRYEGPJ-GHMZBOCLSA-N 0 0 265.319 3.804 10 0 CHAERN Cc1cc(C)c([C@@H](O)CN2CCc3ccccc32)c(C)c1 ZINC000044113598 175140978 /nfs/dbraw/zinc/14/09/78/175140978.db2.gz SFIAWODWDQPXCT-SFHVURJKSA-N 0 0 281.399 3.708 10 0 CHAERN COc1ccccc1-c1cc(Cl)nc(C2CC2)n1 ZINC000044119532 175142089 /nfs/dbraw/zinc/14/20/89/175142089.db2.gz PVFJNXLHCUIWNP-UHFFFAOYSA-N 0 0 260.724 3.683 10 0 CHAERN Cc1ccc(C[C@H](O)Cc2ccccc2Cl)cc1 ZINC000044266393 175157954 /nfs/dbraw/zinc/15/79/54/175157954.db2.gz CMNUCOXLCZWILI-HNNXBMFYSA-N 0 0 260.764 3.795 10 0 CHAERN COc1ccc2c(c1)O[C@H](c1ccc(C)cc1)CC2=O ZINC000045368378 175363565 /nfs/dbraw/zinc/36/35/65/175363565.db2.gz JVZDRFASOQJJTF-INIZCTEOSA-N 0 0 268.312 3.710 10 0 in-vivo CHAERN CCn1cc2c3c1cccc3CN(C(=O)CC(C)C)CC2 ZINC000065148572 175701303 /nfs/dbraw/zinc/70/13/03/175701303.db2.gz XTYMBLLJAKGZSN-UHFFFAOYSA-N 0 0 284.403 3.592 10 0 CHAERN CC(=O)Nc1cccc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343386 175712461 /nfs/dbraw/zinc/71/24/61/175712461.db2.gz PLKZPDWXNCIQST-UHFFFAOYSA-N 0 0 261.708 3.671 10 0 CHAERN Nc1nc(-c2cccc(-c3cccc(Cl)c3)n2)ns1 ZINC000067173883 175770382 /nfs/dbraw/zinc/77/03/82/175770382.db2.gz KAWWDYJDCXEOTR-UHFFFAOYSA-N 0 0 288.763 3.503 10 0 CHAERN CC[C@H](C)NC(=O)/C=C/c1ccc(C)c(Cl)c1 ZINC000070236779 175883029 /nfs/dbraw/zinc/88/30/29/175883029.db2.gz ANKMMGWNBUGITK-AEZGRPFRSA-N 0 0 251.757 3.576 10 0 CHAERN COc1ccc(C(=O)c2cccc(N)c2)c2ccccc12 ZINC000071451014 176175310 /nfs/dbraw/zinc/17/53/10/176175310.db2.gz HQDGJSLVXDXMPJ-UHFFFAOYSA-N 0 0 277.323 3.662 10 0 CHAERN CC(C)(C)c1cc2nc3c(c(Cl)n2n1)CCCC3 ZINC000071466663 176182942 /nfs/dbraw/zinc/18/29/42/176182942.db2.gz JMZBKMRMVFBYDK-UHFFFAOYSA-N 0 0 263.772 3.559 10 0 CHAERN COc1cccc2c1c(C(=O)C1CCCC1)cn2C ZINC000071492605 176190962 /nfs/dbraw/zinc/19/09/62/176190962.db2.gz MSEFQKOUISPLDI-UHFFFAOYSA-N 0 0 257.333 3.560 10 0 CHAERN OCc1cccc(-c2c(O)ccc3ccccc32)c1 ZINC000071792041 176263321 /nfs/dbraw/zinc/26/33/21/176263321.db2.gz GSFVGSMAQQVYGH-UHFFFAOYSA-N 0 0 250.297 3.705 10 0 CHAERN Cc1cccc(C2(C(=O)N[C@H]3C[C@H]3C)CCCCC2)c1 ZINC000072094987 176314765 /nfs/dbraw/zinc/31/47/65/176314765.db2.gz BUHGRIZQJLOEHE-ZBFHGGJFSA-N 0 0 271.404 3.722 10 0 CHAERN FC(F)(F)c1ccc(-n2cnc(Br)c2)cc1 ZINC000072193545 176336706 /nfs/dbraw/zinc/33/67/06/176336706.db2.gz SNHPQERAIAJKJN-UHFFFAOYSA-N 0 0 291.070 3.654 10 0 CHAERN CC(C)(C)Oc1cc(Cl)c(Br)cn1 ZINC000072193444 176336835 /nfs/dbraw/zinc/33/68/35/176336835.db2.gz KMIZMGUEPBEVEZ-UHFFFAOYSA-N 0 0 264.550 3.675 10 0 CHAERN FC(F)(Cl)[C@@](F)(Cl)C(F)(Cl)Cl ZINC000072265591 176352103 /nfs/dbraw/zinc/35/21/03/176352103.db2.gz BGVZJOTUYBNJDH-PVQJCKRUSA-N 0 0 253.837 3.824 10 0 CHAERN Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)n1 ZINC000078755221 177382444 /nfs/dbraw/zinc/38/24/44/177382444.db2.gz AUOIAOQQNNMPKC-ZDUSSCGKSA-N 0 0 298.390 3.618 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCCc3ccccc3C2)o1 ZINC000171701612 335075188 /nfs/dbraw/zinc/07/51/88/335075188.db2.gz IYPUQVZRTSXQIG-CQSZACIVSA-N 0 0 298.386 3.807 10 0 CHAERN CC1(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171748719 335077347 /nfs/dbraw/zinc/07/73/47/335077347.db2.gz DUPLAHNHYPBKPK-STQMWFEESA-N 0 0 293.357 3.907 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000171911303 335084563 /nfs/dbraw/zinc/08/45/63/335084563.db2.gz ZNBYUQVCXRWMCQ-MNOVXSKESA-N 0 0 253.773 3.809 10 0 CHAERN c1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCCC2)ncn1 ZINC000301192684 227471782 /nfs/dbraw/zinc/47/17/82/227471782.db2.gz XIHLERDJSXMJFR-INIZCTEOSA-N 0 0 294.402 3.566 10 0 CHAERN OC[C@@H](Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000301610791 227611166 /nfs/dbraw/zinc/61/11/66/227611166.db2.gz QUPWPGLGDVTFIO-OAHLLOKOSA-N 0 0 296.395 3.956 10 0 CHAERN Cc1ccccc1[C@H]1CCCN1c1cc(C)c(C)nn1 ZINC000302300691 227837628 /nfs/dbraw/zinc/83/76/28/227837628.db2.gz NBFGANUHGKHEHD-MRXNPFEDSA-N 0 0 267.376 3.743 10 0 CHAERN Cc1cc(C)c(NC(=O)N2C[C@H]3CCC[C@H]32)c(C)c1 ZINC000336183844 228208347 /nfs/dbraw/zinc/20/83/47/228208347.db2.gz VRNQIKJUAJVTTH-ZIAGYGMSSA-N 0 0 258.365 3.628 10 0 CHAERN Cc1nc(-c2cccc(NC(=O)N3CC4(CC4)C3)c2)oc1C ZINC000333060637 228189113 /nfs/dbraw/zinc/18/91/13/228189113.db2.gz DSNJSMNFFAGKPR-UHFFFAOYSA-N 0 0 297.358 3.586 10 0 CHAERN Cc1ncccc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333063619 228189133 /nfs/dbraw/zinc/18/91/33/228189133.db2.gz FFYCOHVBDYMVSO-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN Cc1cccnc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333062926 228189145 /nfs/dbraw/zinc/18/91/45/228189145.db2.gz FBUWEOOKCKWXIZ-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN C[C@H]1C[C@H](c2nc(C(C)(C)C3CCC3)no2)CCC1=O ZINC000333060405 228189234 /nfs/dbraw/zinc/18/92/34/228189234.db2.gz DQMTVKYPLURLSW-WDEREUQCSA-N 0 0 276.380 3.620 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000336149120 228197764 /nfs/dbraw/zinc/19/77/64/228197764.db2.gz BSHYAFSJIWJCNO-QWRGUYRKSA-N 0 0 296.798 3.598 10 0 CHAERN CCC(=O)C(CCC(F)(F)C(F)(F)F)C(=O)CC ZINC000008698280 260032640 /nfs/dbraw/zinc/03/26/40/260032640.db2.gz POXANFAMIQSBTL-UHFFFAOYSA-N 0 0 274.229 3.539 10 0 CHAERN Cc1nc([C@@H](C)NCc2nc3ccccc3s2)cs1 ZINC000036915335 260050838 /nfs/dbraw/zinc/05/08/38/260050838.db2.gz HVYNNKWBXCYRCQ-SECBINFHSA-N 0 0 289.429 3.912 10 0 CHAERN CCN(C(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1cccnc1 ZINC000180112860 260093868 /nfs/dbraw/zinc/09/38/68/260093868.db2.gz MRMZQCMOJWTNSR-KBPBESRZSA-N 0 0 274.408 3.897 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000180112879 260093914 /nfs/dbraw/zinc/09/39/14/260093914.db2.gz MRMZQCMOJWTNSR-ZIAGYGMSSA-N 0 0 274.408 3.897 10 0 CHAERN COc1ccccc1C1CC([NH2+][C@H](C)c2ccco2)C1 ZINC000037506802 260113824 /nfs/dbraw/zinc/11/38/24/260113824.db2.gz CTUFHBSVRXSIMH-IYXRBSQSSA-N 0 0 271.360 3.885 10 0 CHAERN CCN(Cc1ccccc1Cl)C(=O)c1ccccc1N ZINC000037839671 260118850 /nfs/dbraw/zinc/11/88/50/260118850.db2.gz KHNVWZBPFNIFEM-UHFFFAOYSA-N 0 0 288.778 3.585 10 0 CHAERN CC(C)[C@H]1C[C@H](Nc2cccc(-c3cnco3)c2)CCO1 ZINC000070358241 260156412 /nfs/dbraw/zinc/15/64/12/260156412.db2.gz YSASDJNAGGEUAA-HZPDHXFCSA-N 0 0 286.375 3.957 10 0 CHAERN Clc1sccc1CN[C@H]1COc2ccccc21 ZINC000312580185 260157552 /nfs/dbraw/zinc/15/75/52/260157552.db2.gz KDRQVAMEKPCERS-NSHDSACASA-N 0 0 265.765 3.625 10 0 CHAERN CC[C@@H]1CCCN(C(=O)c2cccc3c2CCCN3)CC1 ZINC000079347713 260175391 /nfs/dbraw/zinc/17/53/91/260175391.db2.gz CCABZPKFNZCHSX-CQSZACIVSA-N 0 0 286.419 3.697 10 0 CHAERN CO[C@@H](C)c1nsc(NCc2ccsc2Cl)n1 ZINC000312770764 260199738 /nfs/dbraw/zinc/19/97/38/260199738.db2.gz XTJZBSXEYNMNIS-LURJTMIESA-N 0 0 289.813 3.573 10 0 CHAERN CCOc1cc(NCc2cccn2CC)ccc1OC ZINC000091024702 260265063 /nfs/dbraw/zinc/26/50/63/260265063.db2.gz XAERFNZMPZVDPV-UHFFFAOYSA-N 0 0 274.364 3.527 10 0 CHAERN Cc1ccc2nc(NCc3ccc(C)nc3)sc2c1 ZINC000091938352 260267274 /nfs/dbraw/zinc/26/72/74/260267274.db2.gz HSZIFTHFBMVSAS-UHFFFAOYSA-N 0 0 269.373 3.920 10 0 CHAERN CCCn1ccc(CNc2ccc(C(F)(F)F)nc2)c1 ZINC000214475089 260341076 /nfs/dbraw/zinc/34/10/76/260341076.db2.gz QXCSRZPXQJXAJZ-UHFFFAOYSA-N 0 0 283.297 3.924 10 0 CHAERN CC(C)[C@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000126403724 260351468 /nfs/dbraw/zinc/35/14/68/260351468.db2.gz MUAKUVJGSYASCS-YUMQZZPRSA-N 0 0 277.231 3.601 10 0 CHAERN CCN(Cc1ccccn1)C(=O)N[C@@H](C)c1ccccc1C ZINC000084411356 260362477 /nfs/dbraw/zinc/36/24/77/260362477.db2.gz TWMIQKNXCINWPE-HNNXBMFYSA-N 0 0 297.402 3.683 10 0 CHAERN COC(=O)c1coc(CNc2ccccc2C(C)C)c1 ZINC000130683252 260399127 /nfs/dbraw/zinc/39/91/27/260399127.db2.gz CEXWRSVPPJZUGB-UHFFFAOYSA-N 0 0 273.332 3.802 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152186965 261061360 /nfs/dbraw/zinc/06/13/60/261061360.db2.gz FHWXMENRBYKZSQ-LLVKDONJSA-N 0 0 273.336 3.508 10 0 CHAERN Cc1cccc([C@@H](C)N2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705688 261168788 /nfs/dbraw/zinc/16/87/88/261168788.db2.gz LDKCKULMBBVUEV-OAHLLOKOSA-N 0 0 297.446 3.971 10 0 CHAERN CC(C)n1ccnc1CSCCOC(C)(C)C ZINC000175294634 261216938 /nfs/dbraw/zinc/21/69/38/261216938.db2.gz HTTHISKXJMVMTD-UHFFFAOYSA-N 0 0 256.415 3.512 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2sccc2C)o1 ZINC000161535254 261250295 /nfs/dbraw/zinc/25/02/95/261250295.db2.gz WCFXYZXNAMSGKV-YNEHKIRRSA-N 0 0 289.400 3.939 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2sccc2C)o1 ZINC000161535135 261250544 /nfs/dbraw/zinc/25/05/44/261250544.db2.gz WCFXYZXNAMSGKV-AVGNSLFASA-N 0 0 289.400 3.939 10 0 CHAERN CCC1(C(=O)N[C@H]2CCCc3ccccc32)CCC1 ZINC000176437526 261285923 /nfs/dbraw/zinc/28/59/23/261285923.db2.gz SCDHZYNDOUBRTH-HNNXBMFYSA-N 0 0 257.377 3.761 10 0 CHAERN FC(F)(F)[C@@H]1CCC[C@H](Nc2ncnc3ncccc32)C1 ZINC000163061503 261304179 /nfs/dbraw/zinc/30/41/79/261304179.db2.gz CKKROACJWNJZJG-ZJUUUORDSA-N 0 0 296.296 3.558 10 0 CHAERN COc1cccc(SCc2nc(-c3ccoc3)no2)c1 ZINC000105573268 261312548 /nfs/dbraw/zinc/31/25/48/261312548.db2.gz UPMADWARAQGCAH-UHFFFAOYSA-N 0 0 288.328 3.631 10 0 CHAERN Clc1cccnc1SCc1nc(-c2ccoc2)no1 ZINC000105573148 261312708 /nfs/dbraw/zinc/31/27/08/261312708.db2.gz ZQOOQISLGPMKMG-UHFFFAOYSA-N 0 0 293.735 3.670 10 0 CHAERN CCCc1nnc(N[C@@H](C)c2cccs2)s1 ZINC000301677758 261339677 /nfs/dbraw/zinc/33/96/77/261339677.db2.gz RKEDEWGSHQKVPJ-QMMMGPOBSA-N 0 0 253.396 3.725 10 0 CHAERN COCCC[C@H](C)Nc1cccc(-c2cnco2)c1 ZINC000182832997 261461877 /nfs/dbraw/zinc/46/18/77/261461877.db2.gz HDLGTCUHVBFJBX-LBPRGKRZSA-N 0 0 260.337 3.569 10 0 CHAERN COC[C@H](C)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000173517301 261535579 /nfs/dbraw/zinc/53/55/79/261535579.db2.gz HFSJIWZPNHVIJH-WMLDXEAASA-N 0 0 289.419 3.640 10 0 CHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)C(C)C)s1 ZINC000174745140 261582141 /nfs/dbraw/zinc/58/21/41/261582141.db2.gz VVGYRHOPFPMTIL-PWSUYJOCSA-N 0 0 297.468 3.761 10 0 CHAERN Cc1cccc([C@@H](C)[S@@](=O)Cc2nccn2C(C)C)c1 ZINC000176845172 261672354 /nfs/dbraw/zinc/67/23/54/261672354.db2.gz BCHUGYAYNJLHMU-VLIAUNLRSA-N 0 0 290.432 3.782 10 0 CHAERN CCC1CCC(NC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000087067684 261702759 /nfs/dbraw/zinc/70/27/59/261702759.db2.gz QIWVFWIQIPSXED-UHFFFAOYSA-N 0 0 281.346 3.592 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cc(C)ccc1Cl ZINC000180085956 261838260 /nfs/dbraw/zinc/83/82/60/261838260.db2.gz RBEORTOYVAUONT-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)CCc2nccs2)CC(C)(C)C1 ZINC000180537926 261864756 /nfs/dbraw/zinc/86/47/56/261864756.db2.gz QLAVXEOBNXOIDQ-QWHCGFSZSA-N 0 0 294.464 3.606 10 0 CHAERN C[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)c2ccccc21 ZINC000185975135 262074548 /nfs/dbraw/zinc/07/45/48/262074548.db2.gz RSRLWLXRIKGJTH-CYBMUJFWSA-N 0 0 296.418 3.596 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2ccccc2F)o1 ZINC000108988938 262078363 /nfs/dbraw/zinc/07/83/63/262078363.db2.gz CXWDVEWYOXYADK-VXGBXAGGSA-N 0 0 275.323 3.708 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cc(C)ccc2C)C12CCOCC2 ZINC000186475609 262094564 /nfs/dbraw/zinc/09/45/64/262094564.db2.gz KMXJJDVHKBGZHX-SJORKVTESA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(F)cc2C)C12CCOCC2 ZINC000186473284 262094644 /nfs/dbraw/zinc/09/46/44/262094644.db2.gz GYOJSUAADYMFBV-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(C)cc2F)C12CCOCC2 ZINC000186470707 262094680 /nfs/dbraw/zinc/09/46/80/262094680.db2.gz DGJSYCHVXDEULO-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(F)c(C)c2)C12CCOCC2 ZINC000186469214 262095037 /nfs/dbraw/zinc/09/50/37/262095037.db2.gz PXGXBENKAUVPSZ-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCCCC2)cs1 ZINC000186995947 262119990 /nfs/dbraw/zinc/11/99/90/262119990.db2.gz FTNBTXNJGICBPK-AWEZNQCLSA-N 0 0 278.421 3.695 10 0 CHAERN c1coc([C@H]([NH2+]CCc2ccccn2)c2ccccc2)c1 ZINC000019916822 262206576 /nfs/dbraw/zinc/20/65/76/262206576.db2.gz IERRXDDAPVIOAE-GOSISDBHSA-N 0 0 278.355 3.596 10 0 CHAERN Cc1sc2nc(C)nc(N[C@@H](C)C3CC3)c2c1C ZINC000311219159 262212227 /nfs/dbraw/zinc/21/22/27/262212227.db2.gz TYHKFZVDMSCVMP-QMMMGPOBSA-N 0 0 261.394 3.827 10 0 CHAERN CCCCOC[C@@H](O)COc1c(Cl)cccc1Cl ZINC000193388485 262222203 /nfs/dbraw/zinc/22/22/03/262222203.db2.gz HFFHBMASPCCTOP-SNVBAGLBSA-N 0 0 293.190 3.550 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)c1cccc(F)c1F ZINC000054208736 262261181 /nfs/dbraw/zinc/26/11/81/262261181.db2.gz YOHMWIBYHLKXPV-HNNXBMFYSA-N 0 0 287.309 3.772 10 0 CHAERN COC[C@@H](C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000188384111 262293690 /nfs/dbraw/zinc/29/36/90/262293690.db2.gz MLRKVQGHZTUJCS-OAHLLOKOSA-N 0 0 297.398 3.561 10 0 CHAERN FC(F)(F)c1ccc(N[C@@H]2COc3ccccc32)nc1 ZINC000058545232 262385486 /nfs/dbraw/zinc/38/54/86/262385486.db2.gz NLKHXHBXECKECY-LLVKDONJSA-N 0 0 280.249 3.646 10 0 CHAERN CCOc1cc(N2CCCC[C@H]2c2ccc(C)o2)ncn1 ZINC000125472119 264010335 /nfs/dbraw/zinc/01/03/35/264010335.db2.gz BGEFITAZXRHZHE-ZDUSSCGKSA-N 0 0 287.363 3.508 10 0 CHAERN C[C@@H](Nc1ccccc1OC(F)F)c1cncs1 ZINC000165531987 264392071 /nfs/dbraw/zinc/39/20/71/264392071.db2.gz JCMDGDGGCIFHOY-MRVPVSSYSA-N 0 0 270.304 3.918 10 0 CHAERN CC1(C)CCCC[C@H]1NC(=O)c1cccc2c1CCCN2 ZINC000094330060 265235059 /nfs/dbraw/zinc/23/50/59/265235059.db2.gz IBTJUEVEMONDIX-MRXNPFEDSA-N 0 0 286.419 3.743 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2)cc1F ZINC000094820609 265258512 /nfs/dbraw/zinc/25/85/12/265258512.db2.gz XUHXPRTVEFRXFN-NSHDSACASA-N 0 0 275.298 3.764 10 0 CHAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1Oc1ccncc1 ZINC000115002596 267088589 /nfs/dbraw/zinc/08/85/89/267088589.db2.gz JQQVACFLYZEMAS-CQSZACIVSA-N 0 0 298.386 3.957 10 0 CHAERN O=C(C1CCCCCC1)N1CCC[C@H]1c1ccco1 ZINC000116048435 267121115 /nfs/dbraw/zinc/12/11/15/267121115.db2.gz ZPYDURHYVDTGQR-AWEZNQCLSA-N 0 0 261.365 3.914 10 0 CHAERN O=C(/C=C/c1cccs1)N1CCC[C@@H]1c1ccco1 ZINC000116043846 267121162 /nfs/dbraw/zinc/12/11/62/267121162.db2.gz ZPHWYTRLQHNOCB-SBDDDAINSA-N 0 0 273.357 3.718 10 0 CHAERN COc1cccc(CCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116210536 267133653 /nfs/dbraw/zinc/13/36/53/267133653.db2.gz PBLMHZZGVZICSV-INIZCTEOSA-N 0 0 299.370 3.585 10 0 CHAERN CC(C)c1nccc(N2CCC[C@@H]2c2ccco2)n1 ZINC000116263331 267135031 /nfs/dbraw/zinc/13/50/31/267135031.db2.gz VFNOCABTZPNNDU-GFCCVEGCSA-N 0 0 257.337 3.535 10 0 CHAERN c1coc([C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287567 267136073 /nfs/dbraw/zinc/13/60/73/267136073.db2.gz PSIOZONGRQEXOK-QGZVFWFLSA-N 0 0 293.370 3.802 10 0 CHAERN Cc1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116297285 267137797 /nfs/dbraw/zinc/13/77/97/267137797.db2.gz VGQGYXBUHNFILD-GDBMZVCRSA-N 0 0 298.386 3.752 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116413383 267151839 /nfs/dbraw/zinc/15/18/39/267151839.db2.gz CCYAUHQELDTCJK-ZFWWWQNUSA-N 0 0 284.359 3.887 10 0 CHAERN Fc1cccc(F)c1[C@H]1C[C@@H]1c1nc(-c2ccncc2)no1 ZINC000116604562 267167057 /nfs/dbraw/zinc/16/70/57/267167057.db2.gz YQDDGXYHLJDYLA-QWRGUYRKSA-N 0 0 299.280 3.681 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117567768 267216783 /nfs/dbraw/zinc/21/67/83/267216783.db2.gz QIAQLCDEQKBMHD-CXAGYDPISA-N 0 0 281.355 3.807 10 0 CHAERN COc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117646150 267218134 /nfs/dbraw/zinc/21/81/34/267218134.db2.gz LAYUVZGNRNPVJL-PXAZEXFGSA-N 0 0 297.354 3.507 10 0 CHAERN CCCC1(CNC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000119048249 267294521 /nfs/dbraw/zinc/29/45/21/267294521.db2.gz PFLMEFJHCBXCMW-LBPRGKRZSA-N 0 0 264.369 3.529 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1C[C@H]2CCCCC[C@@H]21 ZINC000371171040 267359818 /nfs/dbraw/zinc/35/98/18/267359818.db2.gz SHEHILFFPDFSIA-WBMJQRKESA-N 0 0 268.360 3.573 10 0 CHAERN Cc1cnccc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000120935525 267531960 /nfs/dbraw/zinc/53/19/60/267531960.db2.gz GQWBYWFGHMVIJY-SNVBAGLBSA-N 0 0 291.301 3.551 10 0 CHAERN CCC[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121851523 267751163 /nfs/dbraw/zinc/75/11/63/267751163.db2.gz BMUZIIHQBLNBFU-GXTWGEPZSA-N 0 0 275.392 3.841 10 0 CHAERN CNc1nc(-c2ccc(Br)cc2)nc(C)c1C ZINC000050864091 522674202 /nfs/dbraw/zinc/67/42/02/522674202.db2.gz QCJJXBFMTZWKBX-UHFFFAOYSA-N 0 0 292.180 3.565 10 0 CHAERN CCc1ccc([C@@H](C)Nc2ncc(C)c(C)n2)cc1 ZINC000301897782 327719055 /nfs/dbraw/zinc/71/90/55/327719055.db2.gz WDVMTIMCCYENKS-CYBMUJFWSA-N 0 0 255.365 3.829 10 0 CHAERN Cc1nc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)no1 ZINC000181519384 327740922 /nfs/dbraw/zinc/74/09/22/327740922.db2.gz OKBJKQNVRCXQBY-SSDOTTSWSA-N 0 0 286.162 3.536 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1 ZINC000173653134 327772631 /nfs/dbraw/zinc/77/26/31/327772631.db2.gz SNPUFBODEQBABT-KBPBESRZSA-N 0 0 282.387 3.625 10 0 CHAERN CC(=O)CCCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000185551805 327840814 /nfs/dbraw/zinc/84/08/14/327840814.db2.gz MDGBYBZIDSBKFG-QGZVFWFLSA-N 0 0 287.403 3.576 10 0 CHAERN CC[C@@H](Nc1cccc2c1CCCC2)[C@@H]1CCOC1 ZINC000388463366 327882876 /nfs/dbraw/zinc/88/28/76/327882876.db2.gz BKNGOCBVOSDNCO-GDBMZVCRSA-N 0 0 259.393 3.792 10 0 CHAERN CC(C)c1nnc(CNc2ccccc2C(C)C)n1C ZINC000194987090 327884837 /nfs/dbraw/zinc/88/48/37/327884837.db2.gz GCRQQRXLUAUBAA-UHFFFAOYSA-N 0 0 272.396 3.674 10 0 CHAERN Cc1nnc(CN[C@H]2c3ccccc3CCC2(C)C)s1 ZINC000273287128 327898926 /nfs/dbraw/zinc/89/89/26/327898926.db2.gz MAKIYKUWTADXOR-HNNXBMFYSA-N 0 0 287.432 3.650 10 0 CHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000047978527 328032454 /nfs/dbraw/zinc/03/24/54/328032454.db2.gz LHPHAZJPFNVSTH-GRYCIOLGSA-N 0 0 266.410 3.687 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@H]2CC[C@H](C)O2)C(C)C)c1 ZINC000155501984 328082232 /nfs/dbraw/zinc/08/22/32/328082232.db2.gz GCWKEDHPHHDVCU-GOEBONIOSA-N 0 0 275.392 3.612 10 0 CHAERN Cc1ncc(-c2nc(C3C[C@@H](C)C[C@H](C)C3)no2)c(C)n1 ZINC000273976900 328207544 /nfs/dbraw/zinc/20/75/44/328207544.db2.gz KOFFZQMYLLVIMD-UWVGGRQHSA-N 0 0 286.379 3.683 10 0 CHAERN CC[C@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(C)C ZINC000048977961 328327473 /nfs/dbraw/zinc/32/74/73/328327473.db2.gz BELKOBBEODAXQW-HNNXBMFYSA-N 0 0 272.392 3.949 10 0 CHAERN C[C@@]1(C(=O)Nc2ccccc2O)CCCc2ccccc21 ZINC000101630795 328364103 /nfs/dbraw/zinc/36/41/03/328364103.db2.gz BCUALCNMEPNURK-GOSISDBHSA-N 0 0 281.355 3.625 10 0 CHAERN CCCC1CCC(NC(=O)CNc2ccccc2)CC1 ZINC000049547585 328371439 /nfs/dbraw/zinc/37/14/39/328371439.db2.gz CUZKPJLBNJMVSW-UHFFFAOYSA-N 0 0 274.408 3.574 10 0 CHAERN Cc1ccc(CN2CCCc3c(N)cccc32)cc1C ZINC000049669107 328375925 /nfs/dbraw/zinc/37/59/25/328375925.db2.gz HVRHOWMHVNWAJF-UHFFFAOYSA-N 0 0 266.388 3.838 10 0 CHAERN Cc1nc(-c2cccc(NC(=O)C3CCCCCC3)c2)no1 ZINC000101819296 328377751 /nfs/dbraw/zinc/37/77/51/328377751.db2.gz CDDKHNJHFYYVRF-UHFFFAOYSA-N 0 0 299.374 3.954 10 0 CHAERN O=C(Nc1cccc(F)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083638 326824059 /nfs/dbraw/zinc/82/40/59/326824059.db2.gz RJXNUZHGOHAJLM-STQMWFEESA-N 0 0 291.272 3.846 10 0 CHAERN CC(=O)Nc1cc(N[C@H]2CCc3ccccc32)ccc1F ZINC000037767919 326860893 /nfs/dbraw/zinc/86/08/93/326860893.db2.gz VABJLEDNHDYKQR-INIZCTEOSA-N 0 0 284.334 3.884 10 0 CHAERN CCc1ccc(CNC(=O)N[C@H](C)c2cccs2)s1 ZINC000047977902 326962297 /nfs/dbraw/zinc/96/22/97/326962297.db2.gz SYBYRHHWYCRALQ-SNVBAGLBSA-N 0 0 294.445 3.932 10 0 CHAERN COC(=O)c1ccc(CNc2ccccc2C(C)C)[nH]1 ZINC000093083909 327104192 /nfs/dbraw/zinc/10/41/92/327104192.db2.gz OYWKKPDIVTWEOY-UHFFFAOYSA-N 0 0 272.348 3.537 10 0 CHAERN O=C1Nc2ccccc2N(C2CC2)c2ccccc21 ZINC000095496310 327202714 /nfs/dbraw/zinc/20/27/14/327202714.db2.gz DWQRWLOHGXITQN-UHFFFAOYSA-N 0 0 250.301 3.553 10 0 CHAERN CCC(C)(C)NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000124571665 327385863 /nfs/dbraw/zinc/38/58/63/327385863.db2.gz UFSFISHSWZJQRE-NSHDSACASA-N 0 0 266.360 3.683 10 0 CHAERN CC(C)CCOc1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000150878440 327394419 /nfs/dbraw/zinc/39/44/19/327394419.db2.gz RPDFCWOBWBMWHW-XJKSGUPXSA-N 0 0 291.391 3.618 10 0 CHAERN Cc1cc(Br)ccc1[C@]1(O)CCC[C@@H]1C ZINC000521401186 328676461 /nfs/dbraw/zinc/67/64/61/328676461.db2.gz GJSAMPXXGUVEAK-GWCFXTLKSA-N 0 0 269.182 3.765 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H](C)C1)c1cccc(Cl)c1 ZINC000054064730 328685166 /nfs/dbraw/zinc/68/51/66/328685166.db2.gz BQZXZLCWQSNSLM-NEPJUHHUSA-N 0 0 280.799 3.843 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000103356432 328767734 /nfs/dbraw/zinc/76/77/34/328767734.db2.gz IEKMFAAOHGDUPZ-CYBMUJFWSA-N 0 0 285.343 3.700 10 0 CHAERN CCNC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000043467113 328788480 /nfs/dbraw/zinc/78/84/80/328788480.db2.gz XIVABNRVEYQLCV-CYBMUJFWSA-N 0 0 268.360 3.734 10 0 CHAERN C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000043633410 328808615 /nfs/dbraw/zinc/80/86/15/328808615.db2.gz ONXMURMYHAGNNS-CHWSQXEVSA-N 0 0 282.387 3.999 10 0 CHAERN C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000043633401 328808774 /nfs/dbraw/zinc/80/87/74/328808774.db2.gz ONXMURMYHAGNNS-STQMWFEESA-N 0 0 282.387 3.999 10 0 CHAERN Cc1ccc([C@@H]2CCCN2c2nc(C)cnc2C)s1 ZINC000302241588 328831897 /nfs/dbraw/zinc/83/18/97/328831897.db2.gz YAJCQCIUDABMEE-ZDUSSCGKSA-N 0 0 273.405 3.805 10 0 CHAERN O=C(Cn1ccc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116040432 328933713 /nfs/dbraw/zinc/93/37/13/328933713.db2.gz KZSGIUVIWUXUEY-INIZCTEOSA-N 0 0 294.354 3.598 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1F ZINC000116041438 328933966 /nfs/dbraw/zinc/93/39/66/328933966.db2.gz RLEPWCWMIJYJMW-IUODEOHRSA-N 0 0 287.334 3.886 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000193749745 329061601 /nfs/dbraw/zinc/06/16/01/329061601.db2.gz QXAXXLWGADKWSM-WBMJQRKESA-N 0 0 297.402 3.902 10 0 CHAERN CC(=O)c1ccc(NCc2nc3ccccc3nc2C)cc1 ZINC000170749789 329067750 /nfs/dbraw/zinc/06/77/50/329067750.db2.gz ZASWKUOOMLMSAC-UHFFFAOYSA-N 0 0 291.354 3.753 10 0 CHAERN Cc1nc([C@H](C)NC(=O)c2ccc(C)c(C)c2)cs1 ZINC000170497096 329068619 /nfs/dbraw/zinc/06/86/19/329068619.db2.gz GGTNWBFXQJSHHC-NSHDSACASA-N 0 0 274.389 3.559 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000171416811 329075686 /nfs/dbraw/zinc/07/56/86/329075686.db2.gz SSOLWSBIKMGHEE-OAHLLOKOSA-N 0 0 289.419 3.739 10 0 CHAERN O=C(CCc1ccco1)N1CC=C(c2cccs2)CC1 ZINC000172092467 329081011 /nfs/dbraw/zinc/08/10/11/329081011.db2.gz JMHKIOBQNMUYCN-UHFFFAOYSA-N 0 0 287.384 3.590 10 0 CHAERN CSc1ccccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000172241468 329084228 /nfs/dbraw/zinc/08/42/28/329084228.db2.gz ZDMPCYJAFRHEBV-CYBMUJFWSA-N 0 0 287.384 3.979 10 0 CHAERN O=C1CC(c2ccc(F)cc2)=Nc2ccc(Cl)cc2N1 ZINC000575444735 329120198 /nfs/dbraw/zinc/12/01/98/329120198.db2.gz GTAZCEFNMXPUOL-UHFFFAOYSA-N 0 0 288.709 3.942 10 0 CHAERN CCCCSCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000172362470 329135677 /nfs/dbraw/zinc/13/56/77/329135677.db2.gz GVIADQNMWQPLSF-CQSZACIVSA-N 0 0 293.432 3.550 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)n1 ZINC000173417752 329146955 /nfs/dbraw/zinc/14/69/55/329146955.db2.gz SGKQBJDOARJNCA-GFCCVEGCSA-N 0 0 280.437 3.594 10 0 CHAERN CCC(CC)NC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173476980 329147235 /nfs/dbraw/zinc/14/72/35/329147235.db2.gz QIGFGBCHBNGIRU-LBPRGKRZSA-N 0 0 295.452 3.529 10 0 CHAERN COc1ccc([C@@H](C)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173732772 329147970 /nfs/dbraw/zinc/14/79/70/329147970.db2.gz VMKOJHRRCYFSQA-CQSZACIVSA-N 0 0 287.403 3.591 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176945570 329179947 /nfs/dbraw/zinc/17/99/47/329179947.db2.gz VUQHMARLCFOAHQ-CQSZACIVSA-N 0 0 292.448 3.738 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)O1 ZINC000178013204 329191570 /nfs/dbraw/zinc/19/15/70/329191570.db2.gz YCRCXSPEEULSNS-BLLLJJGKSA-N 0 0 289.375 3.514 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(C)sc2C)o1 ZINC000220945484 329204054 /nfs/dbraw/zinc/20/40/54/329204054.db2.gz IXUIWNKWGWVDEB-SNVBAGLBSA-N 0 0 250.367 3.512 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(Br)c2)o1 ZINC000220924704 329204066 /nfs/dbraw/zinc/20/40/66/329204066.db2.gz CLLALUCWRCPVIY-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN CSc1ccc(CN[C@@H](C)c2ncc(C)o2)cc1 ZINC000220920068 329204073 /nfs/dbraw/zinc/20/40/73/329204073.db2.gz CPPIZBJIXODJHK-NSHDSACASA-N 0 0 262.378 3.556 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCC3(CCC3)C2)CC(C)(C)C1 ZINC000180435242 329216967 /nfs/dbraw/zinc/21/69/67/329216967.db2.gz ROYBNUGWQRKDAV-KGLIPLIRSA-N 0 0 263.425 3.851 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)c1C ZINC000180164868 329218360 /nfs/dbraw/zinc/21/83/60/329218360.db2.gz BUPUJXXGBGYLSL-FZMZJTMJSA-N 0 0 291.439 3.921 10 0 CHAERN CCC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000180581206 329221017 /nfs/dbraw/zinc/22/10/17/329221017.db2.gz KDFFMJHIHSITAF-RRFJBIMHSA-N 0 0 291.391 3.538 10 0 CHAERN Cc1cc(Cl)c(C(=O)N2CCS[C@@H](C)C2)cc1C ZINC000180712538 329222331 /nfs/dbraw/zinc/22/23/31/329222331.db2.gz NGAYNIQCSXEYCG-NSHDSACASA-N 0 0 283.824 3.534 10 0 CHAERN CC(=O)c1ccc(N[C@@H](C)c2ccc(C)c(F)c2)nc1 ZINC000181212305 329226906 /nfs/dbraw/zinc/22/69/06/329226906.db2.gz XQMVALWCYGNHML-NSHDSACASA-N 0 0 272.323 3.905 10 0 CHAERN O=C(NCCC[C@@H]1CCCCO1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000183461951 329247770 /nfs/dbraw/zinc/24/77/70/329247770.db2.gz IDDTZXWOPUCKSR-BBWFWOEESA-N 0 0 293.451 3.668 10 0 CHAERN Cc1nc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)sc1C ZINC000184099248 329256445 /nfs/dbraw/zinc/25/64/45/329256445.db2.gz IDGDEGOVSRBLAC-ZWNOBZJWSA-N 0 0 294.464 3.839 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccncc2F)cc1F ZINC000184161310 329256847 /nfs/dbraw/zinc/25/68/47/329256847.db2.gz HBXQJJIITRCHNO-SNVBAGLBSA-N 0 0 291.301 3.551 10 0 CHAERN Cc1ccc(-c2n[nH]cc2CNc2cnccc2C)cc1 ZINC000184895085 329263745 /nfs/dbraw/zinc/26/37/45/329263745.db2.gz GETWPQVUOYRNKL-UHFFFAOYSA-N 0 0 278.359 3.701 10 0 CHAERN COCCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000185191345 329267216 /nfs/dbraw/zinc/26/72/16/329267216.db2.gz DINQRIYTNHIPHK-CZUORRHYSA-N 0 0 289.419 3.804 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000185199719 329267560 /nfs/dbraw/zinc/26/75/60/329267560.db2.gz QYMCVEYWGTUTFK-ZBFHGGJFSA-N 0 0 299.370 3.525 10 0 CHAERN CCC1(C(=O)N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000185599933 329327043 /nfs/dbraw/zinc/32/70/43/329327043.db2.gz ZVUCMFQMOYTDMX-HNNXBMFYSA-N 0 0 287.403 3.987 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cc(C)cc(F)c2)C12CCOCC2 ZINC000186478273 329343046 /nfs/dbraw/zinc/34/30/46/329343046.db2.gz PUNMLIHDTZHRSW-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(F)c1 ZINC000186535718 329344837 /nfs/dbraw/zinc/34/48/37/329344837.db2.gz AIXCHORTVSNRTH-LLVKDONJSA-N 0 0 299.349 3.976 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C1CCCC1 ZINC000186557470 329345261 /nfs/dbraw/zinc/34/52/61/329345261.db2.gz DBJQTGYNIHAWQZ-LLVKDONJSA-N 0 0 273.380 3.655 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186550963 329345499 /nfs/dbraw/zinc/34/54/99/329345499.db2.gz ZOFXKWQLPKXUGJ-LBPRGKRZSA-N 0 0 280.437 3.682 10 0 CHAERN CC[C@@H](C)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000188377383 329366568 /nfs/dbraw/zinc/36/65/68/329366568.db2.gz LNJKAQNKWLGQKD-YPMHNXCESA-N 0 0 280.437 3.594 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(F)cc2Cl)o1 ZINC000230646708 329367794 /nfs/dbraw/zinc/36/77/94/329367794.db2.gz UOADDVUPACPCKA-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(Cl)cc2F)o1 ZINC000230932829 329372503 /nfs/dbraw/zinc/37/25/03/329372503.db2.gz BQYZVDHKCJIHKX-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Clc1sccc1NC1CCN(c2nccs2)CC1 ZINC000188752099 329372718 /nfs/dbraw/zinc/37/27/18/329372718.db2.gz UUYVLUHHKDUAEV-UHFFFAOYSA-N 0 0 299.852 3.939 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)co1 ZINC000188886366 329373990 /nfs/dbraw/zinc/37/39/90/329373990.db2.gz OAEOSWHMEMKINA-MEDUHNTESA-N 0 0 269.344 3.956 10 0 CHAERN O=C(CC1CCC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190286145 329394200 /nfs/dbraw/zinc/39/42/00/329394200.db2.gz ZXIQOUTZGBVHRP-CYBMUJFWSA-N 0 0 293.357 3.861 10 0 CHAERN CC[C@@]1(C)C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389845 329395768 /nfs/dbraw/zinc/39/57/68/329395768.db2.gz CTXXODCXISRKDT-YWDSYVAPSA-N 0 0 278.396 3.892 10 0 CHAERN CCC(CC)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190385061 329395911 /nfs/dbraw/zinc/39/59/11/329395911.db2.gz WTBQRBZWBDSHHX-RYUDHWBXSA-N 0 0 266.385 3.892 10 0 CHAERN CC(C)[C@H]1C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389163 329395988 /nfs/dbraw/zinc/39/59/88/329395988.db2.gz QWLLQOPBJAXVCL-LOWDOPEQSA-N 0 0 278.396 3.748 10 0 CHAERN Cc1ccc(CCC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000102870850 329534627 /nfs/dbraw/zinc/53/46/27/329534627.db2.gz RPURUUOVVRPSCN-QGZVFWFLSA-N 0 0 271.404 3.719 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105848756 329535412 /nfs/dbraw/zinc/53/54/12/329535412.db2.gz XQCJAVBPXYFXAE-OAHLLOKOSA-N 0 0 291.439 3.671 10 0 CHAERN Cc1cc(NC(=O)N2CC=C(c3cccs3)CC2)ccn1 ZINC000119223386 329547773 /nfs/dbraw/zinc/54/77/73/329547773.db2.gz OZAWZLJQRZVGIN-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN CC1(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)CCCCC1 ZINC000123684685 329561356 /nfs/dbraw/zinc/56/13/56/329561356.db2.gz HAMFOOYRXSAHHP-HNNXBMFYSA-N 0 0 289.423 3.824 10 0 CHAERN CCCCOCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125071097 329577155 /nfs/dbraw/zinc/57/71/55/329577155.db2.gz SULNUEKPVSRSDI-CJNGLKHVSA-N 0 0 275.392 3.558 10 0 CHAERN COCc1ccc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)o1 ZINC000125338226 329581341 /nfs/dbraw/zinc/58/13/41/329581341.db2.gz LYRCHDTWMTYJGA-LRDDRELGSA-N 0 0 299.370 3.794 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1C(F)(F)F ZINC000125358027 329581545 /nfs/dbraw/zinc/58/15/45/329581545.db2.gz AVGCRJFYICITNF-SKDRFNHKSA-N 0 0 287.281 3.520 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1C(F)(F)F ZINC000125357916 329581700 /nfs/dbraw/zinc/58/17/00/329581700.db2.gz AVGCRJFYICITNF-JOYOIKCWSA-N 0 0 287.281 3.520 10 0 CHAERN CCC(CC)CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000127327454 329598883 /nfs/dbraw/zinc/59/88/83/329598883.db2.gz VPWAPRMBNURGPP-UHFFFAOYSA-N 0 0 273.336 3.501 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000128945145 329613246 /nfs/dbraw/zinc/61/32/46/329613246.db2.gz BQZRCEQMDUTFOP-DGCLKSJQSA-N 0 0 279.405 3.693 10 0 CHAERN CC(C)=C(F)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000130261509 329623940 /nfs/dbraw/zinc/62/39/40/329623940.db2.gz YPHBXYFSZMPZNN-GFCCVEGCSA-N 0 0 265.328 3.905 10 0 CHAERN Cc1ccc([C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)CCO2)o1 ZINC000134050284 329656592 /nfs/dbraw/zinc/65/65/92/329656592.db2.gz LZUWHFDCAVBNGC-BBRMVZONSA-N 0 0 293.407 3.560 10 0 CHAERN O=C(C1CCC(F)(F)CC1)N1CCC[C@H]1c1ccco1 ZINC000134968730 329661723 /nfs/dbraw/zinc/66/17/23/329661723.db2.gz IPLGTLPASDXMND-LBPRGKRZSA-N 0 0 283.318 3.769 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccncc1 ZINC000056794781 329676786 /nfs/dbraw/zinc/67/67/86/329676786.db2.gz ALWLQYPMVRGPNC-XJKSGUPXSA-N 0 0 287.407 3.507 10 0 CHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc2ccccc2c1 ZINC000245987227 329764562 /nfs/dbraw/zinc/76/45/62/329764562.db2.gz HTRHVEHQMAAKJK-PBFPGSCMSA-N 0 0 283.371 3.585 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000246068365 329779716 /nfs/dbraw/zinc/77/97/16/329779716.db2.gz RVIUUVUMGYZPEY-PVAVHDDUSA-N 0 0 287.403 3.616 10 0 CHAERN CC1(C)[C@H](Nc2ccc(-c3ncco3)cc2)[C@@H]2CCCO[C@H]21 ZINC000246199958 329801789 /nfs/dbraw/zinc/80/17/89/329801789.db2.gz UXBJEUZKSKZQLE-ARFHVFGLSA-N 0 0 298.386 3.957 10 0 CHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@@H](C)c2c1cccc2C ZINC000246268607 329810852 /nfs/dbraw/zinc/81/08/52/329810852.db2.gz AICWNLBDXINDAF-KCXAZCMYSA-N 0 0 296.418 3.568 10 0 CHAERN CC(C)[C@H](C)CC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000067793981 329851510 /nfs/dbraw/zinc/85/15/10/329851510.db2.gz YNZWYQULXOZINQ-DNVCBOLYSA-N 0 0 296.414 3.969 10 0 CHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)O[C@H]1CCc2cccnc21 ZINC000248873512 329901270 /nfs/dbraw/zinc/90/12/70/329901270.db2.gz BSGDYEOPUXURCO-RDBSUJKOSA-N 0 0 299.395 3.786 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)C(C)C)c(Cl)cc1F ZINC000161772274 329955002 /nfs/dbraw/zinc/95/50/02/329955002.db2.gz KUIFHEIPCNUELB-VIFPVBQESA-N 0 0 257.736 3.562 10 0 CHAERN Cc1ccc(N)cc1C(=O)N[C@H](C)[C@@H](C)C1CCCCC1 ZINC000262427549 330010025 /nfs/dbraw/zinc/01/00/25/330010025.db2.gz VZRNTKRFXSJVFN-ZIAGYGMSSA-N 0 0 288.435 3.912 10 0 CHAERN Cc1ccc(N)cc1C(=O)N[C@@H](C)[C@@H](C)C1CCCCC1 ZINC000262427543 330010070 /nfs/dbraw/zinc/01/00/70/330010070.db2.gz VZRNTKRFXSJVFN-KGLIPLIRSA-N 0 0 288.435 3.912 10 0 CHAERN CC(C)C[C@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263014002 330038873 /nfs/dbraw/zinc/03/88/73/330038873.db2.gz CPYOIOFHCUGSHT-GXTWGEPZSA-N 0 0 297.826 3.608 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)cc(F)c2)o1 ZINC000079547401 330041060 /nfs/dbraw/zinc/04/10/60/330041060.db2.gz BMOBOEXEXRXOGX-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN CCCC[C@@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263396047 330054084 /nfs/dbraw/zinc/05/40/84/330054084.db2.gz GQBZLBBYKDZGPT-SMDDNHRTSA-N 0 0 283.799 3.504 10 0 CHAERN CCC[C@H]([NH2+][C@@H](C)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000263423317 330055019 /nfs/dbraw/zinc/05/50/19/330055019.db2.gz PQGUEHIDPBQFMD-HANOVZDXSA-N 0 0 293.451 3.824 10 0 CHAERN Cc1cc(C)cc([C@@H](C)NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000107337882 330349103 /nfs/dbraw/zinc/34/91/03/330349103.db2.gz LAPYSKGTKDXWIM-UONOGXRCSA-N 0 0 292.448 3.511 10 0 CHAERN CC(C)N(C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000086364106 330369436 /nfs/dbraw/zinc/36/94/36/330369436.db2.gz FLBQBBLNOBWZFT-JTQLQIEISA-N 0 0 299.212 3.560 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NCc2ccsc2)cc1F ZINC000087037328 330371684 /nfs/dbraw/zinc/37/16/84/330371684.db2.gz VKSGOTIXLDXUCM-NSHDSACASA-N 0 0 292.379 3.756 10 0 CHAERN CCC1CCC(Nc2nc(C3CC3)ns2)CC1 ZINC000087641152 330373832 /nfs/dbraw/zinc/37/38/32/330373832.db2.gz SVFXPVRNLXJIJL-UHFFFAOYSA-N 0 0 251.399 3.796 10 0 CHAERN Cc1ccc([C@H](C)Nc2nc(C(C)C)ns2)o1 ZINC000087640946 330373883 /nfs/dbraw/zinc/37/38/83/330373883.db2.gz YQDSVQQRDLQXEJ-VIFPVBQESA-N 0 0 251.355 3.736 10 0 CHAERN CSCCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119421146 330374901 /nfs/dbraw/zinc/37/49/01/330374901.db2.gz YMBYPGCCRXBECJ-LBPRGKRZSA-N 0 0 283.412 3.845 10 0 CHAERN Oc1cc(Cl)cnc1-c1ccc(Br)cc1 ZINC000536952540 330382600 /nfs/dbraw/zinc/38/26/00/330382600.db2.gz CMAHNDYPYJFKJL-UHFFFAOYSA-N 0 0 284.540 3.870 10 0 CHAERN CC(C)c1noc(CC2(O)CCC(C(C)(C)C)CC2)n1 ZINC000536956546 330383256 /nfs/dbraw/zinc/38/32/56/330383256.db2.gz YYWJYIQHYOEUCL-UHFFFAOYSA-N 0 0 280.412 3.703 10 0 CHAERN CCc1nnc(CS[C@@H](C)CCc2ccccc2)n1C ZINC000091028970 330397964 /nfs/dbraw/zinc/39/79/64/330397964.db2.gz JFZVONQQKUZOCY-ZDUSSCGKSA-N 0 0 289.448 3.632 10 0 CHAERN C[C@H]1CCC[C@@H](CSCc2nnc(C3CC3)n2C)C1 ZINC000091037394 330398021 /nfs/dbraw/zinc/39/80/21/330398021.db2.gz SYUJRRWRLHTDDL-NWDGAFQWSA-N 0 0 279.453 3.752 10 0 CHAERN CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000121728786 330406091 /nfs/dbraw/zinc/40/60/91/330406091.db2.gz QSYLFIMEMSIIGF-GFCCVEGCSA-N 0 0 299.345 3.828 10 0 CHAERN C=Cn1cc(CNc2nc3ccc(C)cc3s2)cn1 ZINC000195003207 331128027 /nfs/dbraw/zinc/12/80/27/331128027.db2.gz LCEVAJXSOKEGRS-UHFFFAOYSA-N 0 0 270.361 3.514 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)c2cncs2)cc1Cl ZINC000165032193 331305817 /nfs/dbraw/zinc/30/58/17/331305817.db2.gz QHTQJABJKPVAMI-MRVPVSSYSA-N 0 0 295.795 3.928 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1Sc1ccccc1 ZINC000173477664 332972405 /nfs/dbraw/zinc/97/24/05/332972405.db2.gz IUXQHTBHFMFYID-SWLSCSKDSA-N 0 0 283.396 3.976 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1Sc1ccccc1 ZINC000173477630 332972422 /nfs/dbraw/zinc/97/24/22/332972422.db2.gz IUXQHTBHFMFYID-DOMZBBRYSA-N 0 0 283.396 3.976 10 0 CHAERN Cc1cccc(C)c1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000175288467 333019921 /nfs/dbraw/zinc/01/99/21/333019921.db2.gz INAHRBDEGQCOEW-INIZCTEOSA-N 0 0 297.398 3.639 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccc(Cl)cn1 ZINC000175811374 333033397 /nfs/dbraw/zinc/03/33/97/333033397.db2.gz UAYSYWCAGIJYPK-NSHDSACASA-N 0 0 289.766 3.926 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000175860115 333035566 /nfs/dbraw/zinc/03/55/66/333035566.db2.gz RCLJQZSPXSVWTK-NXEZZACHSA-N 0 0 284.762 3.734 10 0 CHAERN CCC1(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000175913192 333037695 /nfs/dbraw/zinc/03/76/95/333037695.db2.gz KOVVUVYTSKHRPJ-QWRGUYRKSA-N 0 0 292.345 3.739 10 0 CHAERN CC[C@H](c1ccccc1)[S@@](=O)Cc1nccn1C(C)C ZINC000176844396 333048996 /nfs/dbraw/zinc/04/89/96/333048996.db2.gz YEPPKHHTOORFPM-QRWLVFNGSA-N 0 0 290.432 3.864 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000178962253 333078610 /nfs/dbraw/zinc/07/86/10/333078610.db2.gz RNIIOTWRPCNZFD-UONOGXRCSA-N 0 0 277.408 3.802 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)CCc2ccco2)c2ccccc21 ZINC000179079303 333079618 /nfs/dbraw/zinc/07/96/18/333079618.db2.gz JGTVVZOLCWVMTE-CXAGYDPISA-N 0 0 283.371 3.967 10 0 CHAERN CSc1cccc(C)c1NC(=O)N[C@H](C)C(C)C ZINC000184947857 333133754 /nfs/dbraw/zinc/13/37/54/333133754.db2.gz PQZPGCFZFSVYLA-LLVKDONJSA-N 0 0 266.410 3.883 10 0 CHAERN CCC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000185750075 333148023 /nfs/dbraw/zinc/14/80/23/333148023.db2.gz TURFEVXGPJRAIF-GJZGRUSLSA-N 0 0 279.424 3.517 10 0 CHAERN Cc1cc(C)c(NC(=O)N[C@H]2C[C@@H]2C)cc1Br ZINC000187535736 333172417 /nfs/dbraw/zinc/17/24/17/333172417.db2.gz XEGPHHQHUDPCQM-ONGXEEELSA-N 0 0 297.196 3.596 10 0 CHAERN CC[C@H](C)Oc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190015096 333201855 /nfs/dbraw/zinc/20/18/55/333201855.db2.gz LWVATFLPOYSQPJ-ZENOOKHLSA-N 0 0 291.391 3.618 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190366645 333206088 /nfs/dbraw/zinc/20/60/88/333206088.db2.gz MGYRAUATTXCYOO-GHMZBOCLSA-N 0 0 294.361 3.651 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N(c1ccccc1)C1CCCC1 ZINC000191899305 333227186 /nfs/dbraw/zinc/22/71/86/333227186.db2.gz YNYNDXZDBDALSR-PBHICJAKSA-N 0 0 287.403 3.777 10 0 CHAERN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000191910220 333227244 /nfs/dbraw/zinc/22/72/44/333227244.db2.gz RKTRDLZXVNLZEQ-MELADBBJSA-N 0 0 292.423 3.594 10 0 CHAERN C[C@@H](NC(=O)NCc1ccoc1)c1ccc2ccccc2c1 ZINC000193160401 333243662 /nfs/dbraw/zinc/24/36/62/333243662.db2.gz PFPRFUPXYAYRAH-CYBMUJFWSA-N 0 0 294.354 3.993 10 0 CHAERN COc1cccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000194382803 333270304 /nfs/dbraw/zinc/27/03/04/333270304.db2.gz UIYXWEOSQSSSKJ-GJZGRUSLSA-N 0 0 297.398 3.985 10 0 CHAERN COc1cccc([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000194382823 333270356 /nfs/dbraw/zinc/27/03/56/333270356.db2.gz UIYXWEOSQSSSKJ-CABCVRRESA-N 0 0 297.398 3.985 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(C)CCC2)cc1 ZINC000125339966 333565996 /nfs/dbraw/zinc/56/59/96/333565996.db2.gz OYVUTIQFJNLCSF-JKSUJKDBSA-N 0 0 271.404 3.972 10 0 CHAERN CCc1cc(C)c(C(=O)N2CCC[C@H]2c2ccco2)o1 ZINC000126282729 333595910 /nfs/dbraw/zinc/59/59/10/333595910.db2.gz JUJRLVREOLZYCJ-ZDUSSCGKSA-N 0 0 273.332 3.721 10 0 CHAERN CCC[C@@H](C(=O)N[C@H](C)c1ccc(C)o1)C(C)C ZINC000128868607 333722481 /nfs/dbraw/zinc/72/24/81/333722481.db2.gz UVSSQGKIFFWZPS-CHWSQXEVSA-N 0 0 251.370 3.838 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070059442 333798396 /nfs/dbraw/zinc/79/83/96/333798396.db2.gz ISWRIVJGWQHLRJ-RYUDHWBXSA-N 0 0 292.345 3.549 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)NC(C)(C)C)c2ccccc21 ZINC000132838689 334007520 /nfs/dbraw/zinc/00/75/20/334007520.db2.gz HAODGFYIAXQTOO-SMDDNHRTSA-N 0 0 260.381 3.723 10 0 CHAERN COc1ccc(F)c(N[C@H](C)c2ccc(F)cn2)c1 ZINC000134104429 334080463 /nfs/dbraw/zinc/08/04/63/334080463.db2.gz VOEDHBWLAAYVKT-SECBINFHSA-N 0 0 264.275 3.542 10 0 CHAERN Cc1cc(Br)cc(C(=O)N[C@H](C)C(C)C)c1 ZINC000135111875 334115965 /nfs/dbraw/zinc/11/59/65/334115965.db2.gz AZQOULXRYATFIT-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN CCC1(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000078357506 334131757 /nfs/dbraw/zinc/13/17/57/334131757.db2.gz VSRSVJAKJYLULD-WDEREUQCSA-N 0 0 292.345 3.597 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCCc2ccc(F)cc21 ZINC000078944514 334143594 /nfs/dbraw/zinc/14/35/94/334143594.db2.gz XBBKFSDZFMREML-UHFFFAOYSA-N 0 0 294.329 3.900 10 0 CHAERN C[C@H](NC(=O)CC1CCC1)c1cccc(Br)c1 ZINC000079479477 334155210 /nfs/dbraw/zinc/15/52/10/334155210.db2.gz MBRGXTAFGVRBCZ-JTQLQIEISA-N 0 0 296.208 3.817 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2cccc(OCCOC)c2)C1 ZINC000080458063 334171958 /nfs/dbraw/zinc/17/19/58/334171958.db2.gz ILDTVBQQJGSPTD-HIFRSBDPSA-N 0 0 263.381 3.702 10 0 CHAERN C[C@H](CCC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000138452722 334215009 /nfs/dbraw/zinc/21/50/09/334215009.db2.gz SOIBALZMYAXKHU-RHSMWYFYSA-N 0 0 295.382 3.820 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000246189202 334239411 /nfs/dbraw/zinc/23/94/11/334239411.db2.gz MIKOMXNOCLYXQT-MGPQQGTHSA-N 0 0 278.396 3.807 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246368389 334254075 /nfs/dbraw/zinc/25/40/75/334254075.db2.gz NRKVUMPCFHFKGO-MWDXBVQZSA-N 0 0 275.436 3.851 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000246761194 334269180 /nfs/dbraw/zinc/26/91/80/334269180.db2.gz QMZWOVPPWPGWML-QLFBSQMISA-N 0 0 275.392 3.520 10 0 CHAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000248479518 334303683 /nfs/dbraw/zinc/30/36/83/334303683.db2.gz QLPYXUWGKZVKAZ-QZDOHJIMSA-N 0 0 293.357 3.715 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000249295469 334331555 /nfs/dbraw/zinc/33/15/55/334331555.db2.gz MDCBNASNVLHWSW-MELADBBJSA-N 0 0 299.336 3.568 10 0 CHAERN CSC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000157695482 334781109 /nfs/dbraw/zinc/78/11/09/334781109.db2.gz NGMJYKWMXWUFSZ-RRFJBIMHSA-N 0 0 281.465 3.557 10 0 CHAERN Cc1nc(CN2CCC[C@@H]2c2ccco2)sc1C ZINC000176374591 335265561 /nfs/dbraw/zinc/26/55/61/335265561.db2.gz ODQGPTJOKINCHC-GFCCVEGCSA-N 0 0 262.378 3.690 10 0 CHAERN c1ccc2c(c1)CC[C@H]2Nc1cccc2c1OCCO2 ZINC000180001230 335539619 /nfs/dbraw/zinc/53/96/19/335539619.db2.gz GGOMTBYBNIFHDP-CQSZACIVSA-N 0 0 267.328 3.557 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ncnc2sccc21 ZINC000361316836 335843250 /nfs/dbraw/zinc/84/32/50/335843250.db2.gz WBXOUPKOSBKODT-LBPRGKRZSA-N 0 0 299.399 3.709 10 0 CHAERN Cc1cnc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000184014024 335915236 /nfs/dbraw/zinc/91/52/36/335915236.db2.gz XPANRXLZEWACLN-CMPLNLGQSA-N 0 0 280.437 3.530 10 0 CHAERN Cc1cccc(SCc2nnc(C(C)C)n2C)c1 ZINC000194699043 336037560 /nfs/dbraw/zinc/03/75/60/336037560.db2.gz ZDNJKNDASHFRTC-UHFFFAOYSA-N 0 0 261.394 3.539 10 0 CHAERN Cc1c(Cl)cccc1NCc1nnc(C(C)C)n1C ZINC000194982013 336041858 /nfs/dbraw/zinc/04/18/58/336041858.db2.gz WYDNGKXMBVALJT-UHFFFAOYSA-N 0 0 278.787 3.512 10 0 CHAERN CC(C)C[C@@H](C)N(C)c1ccc(Cl)cc1C(N)=S ZINC000052858900 519772612 /nfs/dbraw/zinc/77/26/12/519772612.db2.gz QTDJMVQZRGKLER-SNVBAGLBSA-N 0 0 284.856 3.845 10 0 CHAERN CCC[C@](C)([NH2+][C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000049514420 521284852 /nfs/dbraw/zinc/28/48/52/521284852.db2.gz LBVCWYLZVLJSIR-HZMBPMFUSA-N 0 0 269.772 3.634 10 0 CHAERN CCCc1nsc(N[C@H](C)c2ccc(C)o2)n1 ZINC000087640950 521599201 /nfs/dbraw/zinc/59/92/01/521599201.db2.gz ZMYVVIHUIAMDMG-SECBINFHSA-N 0 0 251.355 3.565 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCC(C)(C)O2)n1 ZINC000329754111 534167414 /nfs/dbraw/zinc/16/74/14/534167414.db2.gz KORRBQJDLLQOCZ-AGIUHOORSA-N 0 0 294.395 3.795 10 0 CHAERN Brc1ccc(Cn2ncc3ccccc32)s1 ZINC000050527372 518214297 /nfs/dbraw/zinc/21/42/97/518214297.db2.gz QLOZRMRYBCAFQK-UHFFFAOYSA-N 0 0 293.189 3.909 10 0 CHAERN CC(=O)c1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C)cc1 ZINC000051751394 518369844 /nfs/dbraw/zinc/36/98/44/518369844.db2.gz RUXUKUBKGQCAIX-RYUDHWBXSA-N 0 0 274.364 3.542 10 0 CHAERN CC(C)(C)c1ccccc1Oc1ncnc(Cl)c1N ZINC000062364873 519063214 /nfs/dbraw/zinc/06/32/14/519063214.db2.gz ASXKVKHQLRLSTA-UHFFFAOYSA-N 0 0 277.755 3.802 10 0 CHAERN O[C@@H](CNc1nc(-c2ccccc2)cs1)C1CCCC1 ZINC000301601789 534403292 /nfs/dbraw/zinc/40/32/92/534403292.db2.gz JKWLXCNPAYPCKB-HNNXBMFYSA-N 0 0 288.416 3.773 10 0 CHAERN O[C@H]1CCCC[C@H]1Nc1ncnc2sc3ccccc3c21 ZINC000333272916 534438925 /nfs/dbraw/zinc/43/89/25/534438925.db2.gz HPCYCPLGSLZUSA-NEPJUHHUSA-N 0 0 299.399 3.560 10 0 CHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000154646063 519655602 /nfs/dbraw/zinc/65/56/02/519655602.db2.gz AYIZTIAZXZZUJK-WFASDCNBSA-N 0 0 295.810 3.645 10 0 CHAERN CC(C)CN(CC(C)C)c1nc2c(s1)[C@@H](O)CCC2 ZINC000054911617 519713598 /nfs/dbraw/zinc/71/35/98/519713598.db2.gz AZZSDACQXQBPLZ-ZDUSSCGKSA-N 0 0 282.453 3.631 10 0 CHAERN CC(C)Oc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085631179 519781239 /nfs/dbraw/zinc/78/12/39/519781239.db2.gz GGWZCILIQWOHEC-JYJNAYRXSA-N 0 0 275.392 3.699 10 0 CHAERN CCC1CCC(NC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000193968630 519856091 /nfs/dbraw/zinc/85/60/91/519856091.db2.gz XMLCMBAUOGCZBK-BCLQGDPASA-N 0 0 286.419 3.587 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(SC)o2)CC1 ZINC000112233739 519856284 /nfs/dbraw/zinc/85/62/84/519856284.db2.gz OINIBLVNPMYDHZ-UHFFFAOYSA-N 0 0 267.394 3.700 10 0 CHAERN CC(C)c1nc([C@H]2CCCN2Cc2cccs2)no1 ZINC000127878472 519868503 /nfs/dbraw/zinc/86/85/03/519868503.db2.gz XETPMJBUMJNEKL-GFCCVEGCSA-N 0 0 277.393 3.592 10 0 CHAERN CCC[NH2+][C@](C)(CCS[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000054695272 520107403 /nfs/dbraw/zinc/10/74/03/520107403.db2.gz GSJSUFPSAZPCKS-KCQAQPDRSA-N 0 0 287.469 3.531 10 0 CHAERN CCCCCN(C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054862038 520154549 /nfs/dbraw/zinc/15/45/49/520154549.db2.gz JJAMMKOICGJBDD-UHFFFAOYSA-N 0 0 280.437 3.925 10 0 CHAERN CCCNc1nc(CSCC)nc2sccc21 ZINC000050833721 520188032 /nfs/dbraw/zinc/18/80/32/520188032.db2.gz WITZZPDJXKCJDW-UHFFFAOYSA-N 0 0 267.423 3.766 10 0 CHAERN CCCCC[C@H](C)NC(=O)c1ccccc1NCC ZINC000050790509 520307611 /nfs/dbraw/zinc/30/76/11/520307611.db2.gz AYZCICJOHWKPSH-ZDUSSCGKSA-N 0 0 262.397 3.817 10 0 CHAERN CCNc1nc2c(OC)ccc(Br)c2cc1C ZINC000063118893 520359257 /nfs/dbraw/zinc/35/92/57/520359257.db2.gz UILSJKCATBUQQQ-UHFFFAOYSA-N 0 0 295.180 3.746 10 0 CHAERN CC1(C)C[C@H](NC(=O)C[C@H]2C=CCC2)c2ccccc2O1 ZINC000121943276 520549884 /nfs/dbraw/zinc/54/98/84/520549884.db2.gz RERXGNFKGVPYMK-ZFWWWQNUSA-N 0 0 285.387 3.761 10 0 CHAERN CCC[C@@H](CC)NC(=O)C(CCC)(CCC)C(N)=S ZINC000050405958 520677404 /nfs/dbraw/zinc/67/74/04/520677404.db2.gz RZHJUTKILSMKQN-GFCCVEGCSA-N 0 0 286.485 3.554 10 0 CHAERN CC1CCN(C(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000281721760 520981075 /nfs/dbraw/zinc/98/10/75/520981075.db2.gz GZPRLVHDWWJONH-CYBMUJFWSA-N 0 0 293.436 3.522 10 0 CHAERN CCOC(=O)[C@@]1(Nc2ccccc2Cl)CCCSC1 ZINC000061590536 521183595 /nfs/dbraw/zinc/18/35/95/521183595.db2.gz NJFNIYZCEYIMQZ-CQSZACIVSA-N 0 0 299.823 3.581 10 0 CHAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C2CCCC2)C1 ZINC000062751351 521210586 /nfs/dbraw/zinc/21/05/86/521210586.db2.gz PZSWROWOKGGUOT-NWANDNLSSA-N 0 0 267.413 3.530 10 0 CHAERN CCN(Cc1ccccc1)c1nc2ccc(N)cc2s1 ZINC000062183759 521376924 /nfs/dbraw/zinc/37/69/24/521376924.db2.gz LZBNMMUCXVKAKH-UHFFFAOYSA-N 0 0 283.400 3.905 10 0 CHAERN CCOc1cccc([C@@H](O)c2cc(F)ccc2C)c1 ZINC000055200841 521414665 /nfs/dbraw/zinc/41/46/65/521414665.db2.gz ITTVQLZJRKZDRR-MRXNPFEDSA-N 0 0 260.308 3.615 10 0 CHAERN CCCN(c1cc(Cl)ccc1C(N)=S)C(C)C ZINC000062788030 521697154 /nfs/dbraw/zinc/69/71/54/521697154.db2.gz LAIPBUUJEJBGKY-UHFFFAOYSA-N 0 0 270.829 3.599 10 0 CHAERN COC[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000103359335 522169769 /nfs/dbraw/zinc/16/97/69/522169769.db2.gz ZKSLMHFAZNBKAD-OAHLLOKOSA-N 0 0 283.371 3.502 10 0 CHAERN CC[C@@H](C)OCc1ccc(OC)c(Br)c1 ZINC000049601203 522254457 /nfs/dbraw/zinc/25/44/57/522254457.db2.gz SKEVIEBVZLQMKL-SECBINFHSA-N 0 0 273.170 3.773 10 0 CHAERN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1C)c1ccncc1 ZINC000073414286 522463323 /nfs/dbraw/zinc/46/33/23/522463323.db2.gz VSLDEMMGUYONFH-YOEHRIQHSA-N 0 0 297.402 3.902 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CC[C@H](C)C[C@H]1C ZINC000051752036 522627288 /nfs/dbraw/zinc/62/72/88/522627288.db2.gz JEXUPQFBZWGIBS-WDEREUQCSA-N 0 0 280.799 3.642 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1 ZINC000050728597 522627775 /nfs/dbraw/zinc/62/77/75/522627775.db2.gz DDSIFMLHLAKCHA-UHFFFAOYSA-N 0 0 278.714 3.773 10 0 CHAERN CNc1nc(-c2ccc(Cl)s2)nc2c1CCCC2 ZINC000050865363 522673794 /nfs/dbraw/zinc/67/37/94/522673794.db2.gz MVGRLKIICZZISP-UHFFFAOYSA-N 0 0 279.796 3.779 10 0 CHAERN CNc1ncccc1CO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052755063 522710348 /nfs/dbraw/zinc/71/03/48/522710348.db2.gz DLSWNPWHETVVRY-OCCSQVGLSA-N 0 0 262.397 3.855 10 0 CHAERN CCc1cc(Cl)nc(Nc2ccc(F)cc2)n1 ZINC000057331058 523788415 /nfs/dbraw/zinc/78/84/15/523788415.db2.gz USWREJKZHDDIMF-UHFFFAOYSA-N 0 0 251.692 3.575 10 0 CHAERN CCc1ccc(C(=O)c2ccc(Br)s2)o1 ZINC000051726387 523899269 /nfs/dbraw/zinc/89/92/69/523899269.db2.gz FTNFHTUARWTQJC-UHFFFAOYSA-N 0 0 285.162 3.897 10 0 CHAERN CO[C@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000054186924 523988248 /nfs/dbraw/zinc/98/82/48/523988248.db2.gz RHMFLSRPAHTIJG-NEPJUHHUSA-N 0 0 259.271 3.685 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc[nH]c2)o1 ZINC000129413928 524035295 /nfs/dbraw/zinc/03/52/95/524035295.db2.gz QLRMROZQVJVZJE-AWEZNQCLSA-N 0 0 272.348 3.538 10 0 CHAERN CCc1ccc([C@H](O)c2cc(F)c(F)c(F)c2)s1 ZINC000063008368 524051820 /nfs/dbraw/zinc/05/18/20/524051820.db2.gz SJTZIKBCSFFMLU-CYBMUJFWSA-N 0 0 272.291 3.810 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cscn2)o1 ZINC000128371428 524053904 /nfs/dbraw/zinc/05/39/04/524053904.db2.gz VFXPZOBZBZENQY-CYBMUJFWSA-N 0 0 290.388 3.666 10 0 CHAERN COc1cccc([C@@](C)(O)c2ccc(C)cc2C)c1 ZINC000055235350 524138146 /nfs/dbraw/zinc/13/81/46/524138146.db2.gz DOZAOUTZYCNTCH-QGZVFWFLSA-N 0 0 256.345 3.568 10 0 CHAERN COc1ccc(C[C@@H](O)c2cccc(Cl)c2)cc1F ZINC000053782506 524140841 /nfs/dbraw/zinc/14/08/41/524140841.db2.gz CHHMQPXWDVUQEF-CQSZACIVSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1cc(C(=O)c2ccc3c(c2)CCO3)c(C)s1 ZINC000050892003 524199584 /nfs/dbraw/zinc/19/95/84/524199584.db2.gz HBZLTLYEBYLFGO-UHFFFAOYSA-N 0 0 258.342 3.531 10 0 CHAERN C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000162874871 524269880 /nfs/dbraw/zinc/26/98/80/524269880.db2.gz BWVNVEUYGUQRSY-DGCLKSJQSA-N 0 0 285.347 3.501 10 0 CHAERN COc1ccc(F)c(NC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000088408946 524290140 /nfs/dbraw/zinc/29/01/40/524290140.db2.gz LLKPCHRSNXBDSD-SNVBAGLBSA-N 0 0 292.310 3.618 10 0 CHAERN COc1ccc(F)cc1C(=O)c1ccc(Cl)s1 ZINC000051171215 524303451 /nfs/dbraw/zinc/30/34/51/524303451.db2.gz IVWRCLCOCKEGIM-UHFFFAOYSA-N 0 0 270.712 3.780 10 0 CHAERN C[C@@H]1CCC[C@](CO)(Nc2ncc(Cl)cc2Cl)C1 ZINC000053111229 524431219 /nfs/dbraw/zinc/43/12/19/524431219.db2.gz UHYQZYLCAUJCPQ-RNCFNFMXSA-N 0 0 289.206 3.742 10 0 CHAERN Cc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000127786463 524450766 /nfs/dbraw/zinc/45/07/66/524450766.db2.gz RKTLUFBTNQBZEV-CYBMUJFWSA-N 0 0 291.420 3.900 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)O1 ZINC000156381753 524554863 /nfs/dbraw/zinc/55/48/63/524554863.db2.gz FWGQPQPZFIQRHZ-CJNGLKHVSA-N 0 0 291.391 3.508 10 0 CHAERN Cc1cc(C=O)c(C)n1[C@@H]1CCCc2sccc21 ZINC000061363678 524609603 /nfs/dbraw/zinc/60/96/03/524609603.db2.gz BBXWUWFTOCDWQC-CQSZACIVSA-N 0 0 259.374 3.905 10 0 CHAERN Cc1cc(CC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)no1 ZINC000074399563 524626005 /nfs/dbraw/zinc/62/60/05/524626005.db2.gz JYYJVFDJMGZQGY-ZDUSSCGKSA-N 0 0 286.375 3.526 10 0 CHAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000253545955 524652356 /nfs/dbraw/zinc/65/23/56/524652356.db2.gz LTAAQMDLDBQFKB-WVWOOGAGSA-N 0 0 293.357 3.715 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@H]1CCCC1(C)C ZINC000094305809 524672407 /nfs/dbraw/zinc/67/24/07/524672407.db2.gz SQAVLICUSUEIFW-HNNXBMFYSA-N 0 0 276.380 3.644 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@@H](C)C1CCCC1 ZINC000054079410 524673494 /nfs/dbraw/zinc/67/34/94/524673494.db2.gz BIZYDZQPWVBPEG-NSHDSACASA-N 0 0 276.380 3.644 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@H]1CCCC[C@H]1C ZINC000037055258 524673601 /nfs/dbraw/zinc/67/36/01/524673601.db2.gz VPUGVWGTAFEWBI-RISCZKNCSA-N 0 0 276.380 3.644 10 0 CHAERN C[C@@H](CNCC(F)(F)F)S[C@@H]1CCC[C@@H](C)C1 ZINC000054696260 524738237 /nfs/dbraw/zinc/73/82/37/524738237.db2.gz TZVTUBFGQYADFS-OUAUKWLOSA-N 0 0 269.376 3.839 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000291615863 524915241 /nfs/dbraw/zinc/91/52/41/524915241.db2.gz ZJAPERQMXMUJIA-WCQYABFASA-N 0 0 293.798 3.840 10 0 CHAERN C[C@H](NC(=O)C=C1CCC1)c1ccc(F)c(Cl)c1 ZINC000087176415 524915976 /nfs/dbraw/zinc/91/59/76/524915976.db2.gz WWVODVSNZMFZHP-VIFPVBQESA-N 0 0 267.731 3.767 10 0 CHAERN Cc1cc(N(Cc2ccccc2)C(C)C)nc(Cl)n1 ZINC000052814068 525033347 /nfs/dbraw/zinc/03/33/47/525033347.db2.gz KEVBWIMEAVRSTG-UHFFFAOYSA-N 0 0 275.783 3.853 10 0 CHAERN Cc1cc(N)cnc1Nc1ccc(OC(C)C)cc1 ZINC000052812559 525040543 /nfs/dbraw/zinc/04/05/43/525040543.db2.gz KDKBCCQAFYJCKJ-UHFFFAOYSA-N 0 0 257.337 3.503 10 0 CHAERN C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000087176448 525131998 /nfs/dbraw/zinc/13/19/98/525131998.db2.gz CLWHPIALZQJRHV-ZYHUDNBSSA-N 0 0 299.773 3.616 10 0 CHAERN Cc1cc(NCC2(O)CCCCCC2)ccc1F ZINC000061097374 525267762 /nfs/dbraw/zinc/26/77/62/525267762.db2.gz RZBQBCCRNQDXRW-UHFFFAOYSA-N 0 0 251.345 3.631 10 0 CHAERN Cc1cc(NC[C@@H](O)c2ccc(Cl)cc2)ccc1F ZINC000061097389 525272614 /nfs/dbraw/zinc/27/26/14/525272614.db2.gz FFLQHTLMPYUPLF-OAHLLOKOSA-N 0 0 279.742 3.933 10 0 CHAERN C[C@@H]1C[C@@H](Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1 ZINC000061517746 525283940 /nfs/dbraw/zinc/28/39/40/525283940.db2.gz VBTKVBFSNFHXOI-HTQZYQBOSA-N 0 0 290.194 3.772 10 0 CHAERN COc1ccc([C@H](C)Nc2ncccc2Cl)cc1OC ZINC000040491197 525338180 /nfs/dbraw/zinc/33/81/80/525338180.db2.gz ZCPYWHJLDFRCSM-JTQLQIEISA-N 0 0 292.766 3.925 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CCC(F)(F)F ZINC000079295529 525408893 /nfs/dbraw/zinc/40/88/93/525408893.db2.gz CIUZRZMLIAPLEG-JTQLQIEISA-N 0 0 259.271 3.515 10 0 CHAERN Cc1ccc(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2O)cc1C ZINC000054558635 525463510 /nfs/dbraw/zinc/46/35/10/525463510.db2.gz ZQOWXNPNFWNPBO-HYVNUMGLSA-N 0 0 262.393 3.868 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1ncc[nH]1 ZINC000138912547 525660589 /nfs/dbraw/zinc/66/05/89/525660589.db2.gz ZKCUXHVSWCTGET-RKDXNWHRSA-N 0 0 267.735 3.614 10 0 CHAERN CSC[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127386610 525665740 /nfs/dbraw/zinc/66/57/40/525665740.db2.gz QVGHEUWBVKKLHD-AAEUAGOBSA-N 0 0 281.421 3.641 10 0 CHAERN CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066766195 525671313 /nfs/dbraw/zinc/67/13/13/525671313.db2.gz CSTPVXKKVWQRCV-IUCAKERBSA-N 0 0 289.803 3.655 10 0 CHAERN C[C@H](Nc1ccnc(C(N)=S)c1)c1ccc(Cl)s1 ZINC000061812888 525671833 /nfs/dbraw/zinc/67/18/33/525671833.db2.gz GLVLNGWOTKLSPP-ZETCQYMHSA-N 0 0 297.836 3.604 10 0 CHAERN C[C@H](Nc1cncc(Cl)n1)c1ccc(Cl)cc1 ZINC000054917762 525674680 /nfs/dbraw/zinc/67/46/80/525674680.db2.gz GFXMYTFHKQATIK-QMMMGPOBSA-N 0 0 268.147 3.957 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=S)cc1Cl)c1ccncc1 ZINC000062795275 525702908 /nfs/dbraw/zinc/70/29/08/525702908.db2.gz LQXNTHLLQQGLJR-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cccc(Cn3cncn3)c2)s1 ZINC000037785149 525752627 /nfs/dbraw/zinc/75/26/27/525752627.db2.gz MAFQZKKLDYZGOH-CYBMUJFWSA-N 0 0 298.415 3.869 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccnc(Cl)n2)s1 ZINC000051849854 525752645 /nfs/dbraw/zinc/75/26/45/525752645.db2.gz YTKISRWGOXQPAB-MRVPVSSYSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N(C)c1ccccc1F ZINC000050005309 525851074 /nfs/dbraw/zinc/85/10/74/525851074.db2.gz PCSHVIGGPXZBJS-JTQLQIEISA-N 0 0 263.287 3.786 10 0 CHAERN C[C@H](O)c1ccc(-n2cnc3ccccc32)c(Cl)c1 ZINC000061697199 525851722 /nfs/dbraw/zinc/85/17/22/525851722.db2.gz RCVSVHAKRVZKII-JTQLQIEISA-N 0 0 272.735 3.732 10 0 CHAERN CS[C@H](C)CC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000123682050 525861954 /nfs/dbraw/zinc/86/19/54/525861954.db2.gz QCWRKOVPLIEPPU-OLZOCXBDSA-N 0 0 281.421 3.783 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@H](C)c2c(C)noc2C)o1 ZINC000130608249 525892679 /nfs/dbraw/zinc/89/26/79/525892679.db2.gz ZUVOUYUMCYXJQF-ONGXEEELSA-N 0 0 290.363 3.564 10 0 CHAERN Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)o1 ZINC000127818540 526093233 /nfs/dbraw/zinc/09/32/33/526093233.db2.gz XERMDASGQKKROY-ZDUSSCGKSA-N 0 0 273.332 3.857 10 0 CHAERN C[C@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1C(N)=S ZINC000062788634 526259277 /nfs/dbraw/zinc/25/92/77/526259277.db2.gz KYXIWYLLIKVDOS-CABZTGNLSA-N 0 0 283.824 3.932 10 0 CHAERN O[C@H](COc1ccccc1)c1cc2ccccc2o1 ZINC000055352192 526293389 /nfs/dbraw/zinc/29/33/89/526293389.db2.gz MMJJXEMNUPTQBT-CQSZACIVSA-N 0 0 254.285 3.545 10 0 CHAERN O[C@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055201856 526298281 /nfs/dbraw/zinc/29/82/81/526298281.db2.gz XKRXKCSODUYTOL-CYBMUJFWSA-N 0 0 268.143 3.665 10 0 CHAERN Fc1ccc(COCc2ccco2)cc1Br ZINC000049600917 526341933 /nfs/dbraw/zinc/34/19/33/526341933.db2.gz SODFBCHUFJMLTJ-UHFFFAOYSA-N 0 0 285.112 3.898 10 0 CHAERN Fc1ccc(NCCOc2cccc(Cl)c2)cc1 ZINC000053566890 526354607 /nfs/dbraw/zinc/35/46/07/526354607.db2.gz BTKWDQCWPNLCLP-UHFFFAOYSA-N 0 0 265.715 3.970 10 0 CHAERN c1csc(-c2nc(-c3cc4ccccc4o3)n[nH]2)c1 ZINC000054699971 526574401 /nfs/dbraw/zinc/57/44/01/526574401.db2.gz SISSSVRUGJVHQR-UHFFFAOYSA-N 0 0 267.313 3.946 10 0 CHAERN Cc1nc(C)c([C@@H](C)n2c(C)cc(C=O)c2C)s1 ZINC000049533864 526747316 /nfs/dbraw/zinc/74/73/16/526747316.db2.gz KPHZFPOMDPEKIJ-LLVKDONJSA-N 0 0 262.378 3.600 10 0 CHAERN CC(C)(C)c1nc2cc(NC(=O)N3CC4(CC4)C3)ccc2o1 ZINC000333279592 526874608 /nfs/dbraw/zinc/87/46/08/526874608.db2.gz XPSJWYLYLPKOBA-UHFFFAOYSA-N 0 0 299.374 3.753 10 0 CHAERN Clc1cc(N2CC[C@H]3CCCC[C@H]32)nc(C2CC2)n1 ZINC000228005611 526929814 /nfs/dbraw/zinc/92/98/14/526929814.db2.gz QBNZAUZHRFGDJP-ZYHUDNBSSA-N 0 0 277.799 3.776 10 0 CHAERN O=C1CCCc2nc(-c3cccc(Cl)c3)sc21 ZINC000050329682 526986725 /nfs/dbraw/zinc/98/67/25/526986725.db2.gz TUQSUDNYHQXXEO-UHFFFAOYSA-N 0 0 263.749 3.983 10 0 CHAERN Cc1nc([C@H](C)N[C@H](C)c2cccs2)cs1 ZINC000036915426 527067357 /nfs/dbraw/zinc/06/73/57/527067357.db2.gz NCQJOVRPIIUBNA-DTWKUNHWSA-N 0 0 252.408 3.925 10 0 CHAERN NC(=S)CCCCO[C@H]1CCCc2ccccc21 ZINC000049583041 527107928 /nfs/dbraw/zinc/10/79/28/527107928.db2.gz VGPUUJDWJDFBBX-AWEZNQCLSA-N 0 0 263.406 3.537 10 0 CHAERN CC(C)(c1noc(-c2ccon2)n1)C1CCCCC1 ZINC000333241918 527381736 /nfs/dbraw/zinc/38/17/36/527381736.db2.gz WLQYBNHXFFWNTJ-UHFFFAOYSA-N 0 0 261.325 3.583 10 0 CHAERN O=C(Nc1ccsc1)N1CCC[C@H]1c1ccco1 ZINC000157179507 527467507 /nfs/dbraw/zinc/46/75/07/527467507.db2.gz JYAJZSDWTKMIBF-NSHDSACASA-N 0 0 262.334 3.710 10 0 CHAERN Nc1ccc(Cl)c(CSc2ccc(F)c(F)c2)n1 ZINC000061640697 527485318 /nfs/dbraw/zinc/48/53/18/527485318.db2.gz IUKZLKBEBAAOIN-UHFFFAOYSA-N 0 0 286.734 3.888 10 0 CHAERN Nc1ccc(SCc2ccnc(Cl)c2)c(F)c1 ZINC000052709191 527500535 /nfs/dbraw/zinc/50/05/35/527500535.db2.gz PYNSCZUWMFTQDR-UHFFFAOYSA-N 0 0 268.744 3.749 10 0 CHAERN Nc1ccc2nc(Oc3ccc(F)c(F)c3)sc2c1 ZINC000063105030 527510819 /nfs/dbraw/zinc/51/08/19/527510819.db2.gz DCUMAXVAJRESDP-UHFFFAOYSA-N 0 0 278.283 3.949 10 0 CHAERN Nc1cccc(CNc2ccccc2C(F)(F)F)c1 ZINC000052925974 527517427 /nfs/dbraw/zinc/51/74/27/527517427.db2.gz MGGCIDYWKRVUKU-UHFFFAOYSA-N 0 0 266.266 3.900 10 0 CHAERN Cc1ncsc1[C@H](C)NCc1ccc(F)cc1F ZINC000051016966 527518018 /nfs/dbraw/zinc/51/80/18/527518018.db2.gz UJDMJCYNGRLNIQ-QMMMGPOBSA-N 0 0 268.332 3.581 10 0 CHAERN Nc1onc(C(F)(F)F)c1-c1ccc(F)cc1Cl ZINC000062609987 527581326 /nfs/dbraw/zinc/58/13/26/527581326.db2.gz JDKGVKBJKAAOPT-UHFFFAOYSA-N 0 0 280.608 3.735 10 0 CHAERN OCc1cnc(CSc2ccc(Cl)cc2)s1 ZINC000062201335 527640754 /nfs/dbraw/zinc/64/07/54/527640754.db2.gz NUPNQHDTXXTVJG-UHFFFAOYSA-N 0 0 271.794 3.581 10 0 CHAERN O[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1F ZINC000062785659 527644925 /nfs/dbraw/zinc/64/49/25/527644925.db2.gz PRHZKRMANISBRH-HNNXBMFYSA-N 0 0 280.726 3.982 10 0 CHAERN FC(F)(F)CCCCNc1nnc(C(F)(F)F)s1 ZINC000156323557 527663976 /nfs/dbraw/zinc/66/39/76/527663976.db2.gz VTAHLYGIYZCZJA-UHFFFAOYSA-N 0 0 293.236 3.701 10 0 CHAERN O[C@@H](Cc1cccc(Cl)c1)c1c(F)cccc1F ZINC000062143665 527664354 /nfs/dbraw/zinc/66/43/54/527664354.db2.gz YOBSIMUPQNVJTL-ZDUSSCGKSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H]1CCCCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703780 527668902 /nfs/dbraw/zinc/66/89/02/527668902.db2.gz XOWYYNWGBQEWBS-QWHCGFSZSA-N 0 0 274.282 3.994 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(Br)c1 ZINC000087406666 527697593 /nfs/dbraw/zinc/69/75/93/527697593.db2.gz RXTZLNFICIWXRM-SECBINFHSA-N 0 0 294.196 3.664 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000087406434 527697670 /nfs/dbraw/zinc/69/76/70/527697670.db2.gz PEFYZEZEEWJAIV-SECBINFHSA-N 0 0 283.297 3.920 10 0 CHAERN CCC1CCC(NC(=O)/C=C\c2ccccc2F)CC1 ZINC000096437667 527842876 /nfs/dbraw/zinc/84/28/76/527842876.db2.gz FQTYTBKNYQYUMH-XFXZXTDPSA-N 0 0 275.367 3.924 10 0 CHAERN CCC[C@H]1C[C@@H]1Nc1nc(-c2cccnc2)nc(C)c1C ZINC000301434637 528427365 /nfs/dbraw/zinc/42/73/65/528427365.db2.gz KAEYOTIIIHUGSA-ZFWWWQNUSA-N 0 0 282.391 3.756 10 0 CHAERN CCN(N=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000504256371 528920376 /nfs/dbraw/zinc/92/03/76/528920376.db2.gz JVGWNJLSTCQSCZ-VIFPVBQESA-N 0 0 260.259 3.640 10 0 CHAERN COC(=O)c1cc(-c2cc(Cl)cnc2F)ccc1C ZINC000725241341 567907680 /nfs/dbraw/zinc/90/76/80/567907680.db2.gz MUIXXXBSBLVMTA-UHFFFAOYSA-N 0 0 279.698 3.636 10 0 CHAERN C[C@@H]1CCn2cc(-c3ccc(Cl)s3)nc2C1 ZINC000258531818 567931013 /nfs/dbraw/zinc/93/10/13/567931013.db2.gz SGTIETZPQHVQLO-MRVPVSSYSA-N 0 0 252.770 3.847 10 0 CHAERN Clc1cc([C@H]2NCCc3ccoc32)c(Cl)s1 ZINC000701290279 570276906 /nfs/dbraw/zinc/27/69/06/570276906.db2.gz MPBMDAXBJVDNRR-SECBINFHSA-N 0 0 274.172 3.883 10 0 CHAERN CCC(C)(C)C1CCC(CC(=O)OC(C)(C)C)(ON)CC1 ZINC000675055674 570364180 /nfs/dbraw/zinc/36/41/80/570364180.db2.gz WFWHLZKLSKWWLB-UHFFFAOYSA-N 0 0 299.455 3.974 10 0 CHAERN C[C@H]1CCC[C@@](O)(c2cccc(Br)c2)C1 ZINC000675059277 570365487 /nfs/dbraw/zinc/36/54/87/570365487.db2.gz MNRIEKBOSLAIHL-GWCFXTLKSA-N 0 0 269.182 3.847 10 0 CHAERN Clc1ccnc(-c2cccc(Br)c2)n1 ZINC000036882192 570411210 /nfs/dbraw/zinc/41/12/10/570411210.db2.gz RFECNFBDJQGRBS-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN COc1c(C)c(O)cc2c1CC[C@@H](c1ccccc1)O2 ZINC000013334921 560214461 /nfs/dbraw/zinc/21/44/61/560214461.db2.gz PZRKAAPKQGONFG-HNNXBMFYSA-N 0 0 270.328 3.776 10 0 biogenic,in-vitro CHAERN Cc1cccc(C(=O)CCCCNC(=O)OC(C)(C)C)c1 ZINC000150217560 566979771 /nfs/dbraw/zinc/97/97/71/566979771.db2.gz QOXIISJNKQCRGJ-UHFFFAOYSA-N 0 0 291.391 3.873 10 0 CHAERN CC[C@@H](C)NC(=O)c1cncc(-c2cc(C)ccc2C)c1 ZINC000036346949 566996620 /nfs/dbraw/zinc/99/66/20/566996620.db2.gz OYARMELPPDNUSV-CQSZACIVSA-N 0 0 282.387 3.894 10 0 CHAERN Cc1cc(C=C2CN(C(=O)OC(C)(C)C)C2)cs1 ZINC000675055910 567020605 /nfs/dbraw/zinc/02/06/05/567020605.db2.gz CVQVPVRUZOKUMJ-UHFFFAOYSA-N 0 0 265.378 3.691 10 0 CHAERN Cc1c(N)cc(-c2ccncc2)cc1C(F)(F)F ZINC000675079508 567025503 /nfs/dbraw/zinc/02/55/03/567025503.db2.gz HHWMRDMIHBLRCX-UHFFFAOYSA-N 0 0 252.239 3.658 10 0 CHAERN CC(C)Oc1cccc(/C=C/C(=O)OC(C)(C)C)c1 ZINC000406107629 567039287 /nfs/dbraw/zinc/03/92/87/567039287.db2.gz NOSFWTTVFQAHPX-MDZDMXLPSA-N 0 0 262.349 3.829 10 0 CHAERN Cc1cccc([N+](=O)[O-])c1NC(=O)/C=C/c1cccs1 ZINC000048545766 567090790 /nfs/dbraw/zinc/09/07/90/567090790.db2.gz GXNIHNUWYONLAP-BQYQJAHWSA-N 0 0 288.328 3.617 10 0 CHAERN CN1C(=O)c2ccccc2[C@]12CCCCc1ccccc12 ZINC000048523047 567091394 /nfs/dbraw/zinc/09/13/94/567091394.db2.gz NDTLJWLGJXSBRC-LJQANCHMSA-N 0 0 277.367 3.742 10 0 CHAERN CC(C)c1nc2cccc(Br)c2cc1O ZINC000685963126 567210610 /nfs/dbraw/zinc/21/06/10/567210610.db2.gz HDJPNLPZWAKXNR-UHFFFAOYSA-N 0 0 266.138 3.826 10 0 CHAERN Cc1nn(C(=O)c2ccccc2)c(C)c1Oc1ccccc1 ZINC000000124155 567818995 /nfs/dbraw/zinc/81/89/95/567818995.db2.gz ZTEXUCMQTVQCDL-UHFFFAOYSA-N 0 0 292.338 3.981 10 0 CHAERN C[C@@H]1CCNc2c(Br)c(CC(C)(C)C)nn21 ZINC000235289134 567881938 /nfs/dbraw/zinc/88/19/38/567881938.db2.gz QMKFMUMOVCBOKX-MRVPVSSYSA-N 0 0 286.217 3.611 10 0 CHAERN C[C@@H]1CCNc2c(Br)c(C3CCCC3)nn21 ZINC000235333188 567883090 /nfs/dbraw/zinc/88/30/90/567883090.db2.gz FCLKMSZHPSKFHO-MRVPVSSYSA-N 0 0 284.201 3.680 10 0 CHAERN COc1ccc2c(Cl)nc(C)c(Br)c2c1 ZINC000116270733 567892739 /nfs/dbraw/zinc/89/27/39/567892739.db2.gz OFFWIQXRKQFJFQ-UHFFFAOYSA-N 0 0 286.556 3.968 10 0 CHAERN Brc1cccn2cc(-c3ccccc3)nc12 ZINC000114947775 567899662 /nfs/dbraw/zinc/89/96/62/567899662.db2.gz YBBVZYAWDUKLLJ-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN CC(C)CCc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725246206 567908156 /nfs/dbraw/zinc/90/81/56/567908156.db2.gz RQCBKRDILCYPIA-UHFFFAOYSA-N 0 0 263.772 3.849 10 0 CHAERN CCc1c(C)cc2nc([C@@H](C)CC)nn2c1Cl ZINC000725245375 567908295 /nfs/dbraw/zinc/90/82/95/567908295.db2.gz CMDFNNNRJXOEBI-QMMMGPOBSA-N 0 0 251.761 3.767 10 0 CHAERN CC(C)(C)c1nsc(C(Cl)(Cl)Cl)n1 ZINC000095883678 567909601 /nfs/dbraw/zinc/90/96/01/567909601.db2.gz FSCKVTLOPMUWBZ-UHFFFAOYSA-N 0 0 259.589 3.662 10 0 CHAERN CCCCO[C@@H](C)OC(C(F)(F)F)C(F)(F)F ZINC000098210586 567911610 /nfs/dbraw/zinc/91/16/10/567911610.db2.gz ULORQHDOIIRRSJ-ZCFIWIBFSA-N 0 0 268.197 3.659 10 0 CHAERN C[C@H]1C[C@H](CC(=O)OC(C)(C)C)c2cc(F)ccc2N1 ZINC000725253973 567912385 /nfs/dbraw/zinc/91/23/85/567912385.db2.gz VWQSZMRWTFKGDB-WDEREUQCSA-N 0 0 279.355 3.845 10 0 CHAERN CCC[C@H]1CCc2[nH]nc(-c3ccc(C=O)s3)c2C1 ZINC000725265503 567923201 /nfs/dbraw/zinc/92/32/01/567923201.db2.gz ISWZYTWEEOBLOR-JTQLQIEISA-N 0 0 274.389 3.856 10 0 CHAERN CC(C)C(C)(C)C1N=NC(=S)N1C1CCCC1 ZINC000725265540 567923678 /nfs/dbraw/zinc/92/36/78/567923678.db2.gz PLEWCZVVJSOEKK-UHFFFAOYSA-N 0 0 253.415 3.616 10 0 CHAERN NNc1cc2cccc(Br)c2nc1C1CCC1 ZINC000725268621 567923969 /nfs/dbraw/zinc/92/39/69/567923969.db2.gz WYEDWWHHQDHELJ-UHFFFAOYSA-N 0 0 292.180 3.550 10 0 CHAERN CCn1cc(C(F)F)c(-c2cc(F)ccc2C)n1 ZINC000725270173 567924644 /nfs/dbraw/zinc/92/46/44/567924644.db2.gz IGNCBCIFMPQGQZ-UHFFFAOYSA-N 0 0 254.255 3.955 10 0 CHAERN CCn1cc(C(F)F)c(-c2cccc(C(C)=O)c2)n1 ZINC000725271178 567924702 /nfs/dbraw/zinc/92/47/02/567924702.db2.gz YRSKOYKLVPQEDS-UHFFFAOYSA-N 0 0 264.275 3.710 10 0 CHAERN FC(F)(F)c1cc(Cl)c2nc(C3CC3)cn2c1 ZINC000409438480 570245080 /nfs/dbraw/zinc/24/50/80/570245080.db2.gz MZEOHVQYVHJPTC-UHFFFAOYSA-N 0 0 260.646 3.884 10 0 CHAERN COc1cccc2c(C)c(C(=O)C(F)(F)F)c(C)nc12 ZINC000584883111 570229422 /nfs/dbraw/zinc/22/94/22/570229422.db2.gz ALAUJBBVEWSPND-UHFFFAOYSA-N 0 0 283.249 3.605 10 0 CHAERN CCNc1c(N)cnc2c(Cl)cc(Cl)c(Cl)c21 ZINC000584882879 570229439 /nfs/dbraw/zinc/22/94/39/570229439.db2.gz YITVOSSBWUOHQJ-UHFFFAOYSA-N 0 0 290.581 3.631 10 0 CHAERN CCC(CC)c1nc2cc(CC(C)C)cc(O)n2n1 ZINC000725243332 570255133 /nfs/dbraw/zinc/25/51/33/570255133.db2.gz XQLAQZHLBREWSG-UHFFFAOYSA-N 0 0 261.369 3.537 10 0 CHAERN CCc1cc2nc(C3CCCCC3)nn2c(Cl)c1 ZINC000725246456 570255793 /nfs/dbraw/zinc/25/57/93/570255793.db2.gz MVKKIELZWCPSOL-UHFFFAOYSA-N 0 0 263.772 3.993 10 0 CHAERN CN1c2ccc(Cl)cc2C(C2=CCCCC2)=NCC1=O ZINC000000002144 570319343 /nfs/dbraw/zinc/31/93/43/570319343.db2.gz IQWYAQCHYZHJOS-UHFFFAOYSA-N 0 0 288.778 3.606 10 0 world CHAERN CCCC(=O)[C@H]1Cc2c(c(Cl)ccc2Cl)O1 ZINC000675080379 570368911 /nfs/dbraw/zinc/36/89/11/570368911.db2.gz CSRWTKLXYSOPCE-LLVKDONJSA-N 0 0 259.132 3.666 10 0 CHAERN CCOC(=O)[C@@H](O)/C1=C/CCCCCCCCCC1 ZINC000675055210 570352452 /nfs/dbraw/zinc/35/24/52/570352452.db2.gz ZESOXQBUNNTPJG-ZQHYZAEZSA-N 0 0 268.397 3.751 10 0 CHAERN CCc1nc(CNc2ccsc2)sc1CC ZINC000669381915 570352518 /nfs/dbraw/zinc/35/25/18/570352518.db2.gz ACVJEEAHVWUPGC-UHFFFAOYSA-N 0 0 252.408 3.942 10 0 CHAERN CCCCNc1ncc2c(Br)cccc2n1 ZINC000675056933 570364680 /nfs/dbraw/zinc/36/46/80/570364680.db2.gz RMHHSRDKWPXAPQ-UHFFFAOYSA-N 0 0 280.169 3.604 10 0 CHAERN CCCCN[S@](=O)(=NC(CC)CC)c1cccc(N)c1 ZINC000675074251 570367397 /nfs/dbraw/zinc/36/73/97/570367397.db2.gz DZJZMWDQNMGIGZ-FQEVSTJZSA-N 0 0 297.468 3.589 10 0 CHAERN CC[C@H](C)Sc1nc(Cl)c(F)c(Cl)n1 ZINC000616569287 570408684 /nfs/dbraw/zinc/40/86/84/570408684.db2.gz JCQRHHGDGNSHEA-BYPYZUCNSA-N 0 0 255.145 3.813 10 0 CHAERN Nc1n[nH]c(C2CCC2)c1-c1ccc(Br)cc1 ZINC000036935545 570411252 /nfs/dbraw/zinc/41/12/52/570411252.db2.gz AXRPTWFRYVAIHW-UHFFFAOYSA-N 0 0 292.180 3.689 10 0 CHAERN CCc1nn2c(c1Br)N[C@H](CC)C[C@H]2CC ZINC000233948604 570411758 /nfs/dbraw/zinc/41/17/58/570411758.db2.gz ZMVDWTLECDWIGW-RKDXNWHRSA-N 0 0 286.217 3.753 10 0 CHAERN CCc1c(C)[nH]c(=O)c(N)c1Sc1cc(C)cc(C)c1 ZINC000000022098 581094136 /nfs/dbraw/zinc/09/41/36/581094136.db2.gz SBXYUVDYGNRQAF-UHFFFAOYSA-N 0 0 288.416 3.596 10 0 CHAERN CCCC[C@H](CC)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000692609745 954704147 /nfs/dbraw/zinc/70/41/47/954704147.db2.gz DHBQKZZAGUUGTI-ZDUSSCGKSA-N 0 0 257.418 3.636 10 0 CHAERN CC(C)(C)C[C@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000689092866 976217472 /nfs/dbraw/zinc/21/74/72/976217472.db2.gz DHOJZXTXQMWODY-LLVKDONJSA-N 0 0 281.421 3.704 10 0 CHAERN CC[C@H](C)C[N@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701821365 977043900 /nfs/dbraw/zinc/04/39/00/977043900.db2.gz CQJXUOKXMOKQQH-LBPRGKRZSA-N 0 0 263.381 3.561 10 0 CHAERN CC(C)CCCC[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000703949649 977210491 /nfs/dbraw/zinc/21/04/91/977210491.db2.gz HWMZTLLDRYDKNX-UHFFFAOYSA-N 0 0 275.392 3.569 10 0 CHAERN CCCC[C@H](C(=O)[O-])[NH+]1CCC(C2CCCCC2)CC1 ZINC000708784529 977442988 /nfs/dbraw/zinc/44/29/88/977442988.db2.gz NIUCPQMFLFUCLT-MRXNPFEDSA-N 0 0 281.440 3.922 10 0 CHAERN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708820942 977444425 /nfs/dbraw/zinc/44/44/25/977444425.db2.gz FFOGOJRACZYHDD-WCQYABFASA-N 0 0 277.364 3.551 10 0 CHAERN C[C@H](CC1CCCCC1)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000709929570 977472780 /nfs/dbraw/zinc/47/27/80/977472780.db2.gz DKVOMCCOAMEFJY-MNOVXSKESA-N 0 0 296.436 3.851 10 0 CHAERN CC(C)(C)C1=CC[N@H+](Cc2cc(C(=O)[O-])cs2)CC1 ZINC000711406334 977543370 /nfs/dbraw/zinc/54/33/70/977543370.db2.gz GHURQFULILCKBH-UHFFFAOYSA-N 0 0 279.405 3.625 10 0 CHAERN CS[C@H](C)C(=O)Oc1cc(C)ccc1C(C)C ZINC000103329489 1129748154 /nfs/dbraw/zinc/74/81/54/1129748154.db2.gz ANCQDQWXPKZNBA-LLVKDONJSA-N 0 0 252.379 3.775 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2C)cs1 ZINC000187078502 1126908821 /nfs/dbraw/zinc/90/88/21/1126908821.db2.gz RNEQOTSSYXSMDP-HNNXBMFYSA-N 0 0 286.400 3.737 10 0 CHAERN CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000003152937 1128128476 /nfs/dbraw/zinc/12/84/76/1128128476.db2.gz NMBSOFMQWFNDQR-SJORKVTESA-N 0 0 281.355 3.828 10 0 CHAERN CSc1nc(-c2ccc(Cl)cc2Cl)cc(=O)[nH]1 ZINC000409431538 1118544836 /nfs/dbraw/zinc/54/48/36/1118544836.db2.gz QYFCBTUEWLUDLC-UHFFFAOYSA-N 0 0 287.171 3.878 10 0 CHAERN CC(C)(C)C1=N/C(=C/c2cccc3cnccc23)C(=O)O1 ZINC000588423494 1118665929 /nfs/dbraw/zinc/66/59/29/1118665929.db2.gz RLRABXKRYXKTLY-NTEUORMPSA-N 0 0 280.327 3.577 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@H](C)c1ccccc1 ZINC000588451516 1118797295 /nfs/dbraw/zinc/79/72/95/1118797295.db2.gz AZVMFDOODZBQDK-IWMPZKFUSA-N 0 0 267.328 3.708 10 0 CHAERN CC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ncccc1C ZINC000588452674 1118798474 /nfs/dbraw/zinc/79/84/74/1118798474.db2.gz NYNPZPWLJPBBDG-CPFIRTDXSA-N 0 0 294.398 3.541 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000588453143 1118799025 /nfs/dbraw/zinc/79/90/25/1118799025.db2.gz FRUWCXHSDZPSDF-QWGSZXSUSA-N 0 0 286.419 3.688 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)n1 ZINC000336336850 1119033918 /nfs/dbraw/zinc/03/39/18/1119033918.db2.gz CTVKDVZKDWVYCG-ZDUSSCGKSA-N 0 0 292.448 3.738 10 0 CHAERN Cc1sc2nc(C)nc(N3CCC(C)CC3)c2c1C ZINC000000215561 1119588360 /nfs/dbraw/zinc/58/83/60/1119588360.db2.gz BOALIVVGMALCIC-UHFFFAOYSA-N 0 0 275.421 3.853 10 0 CHAERN Cc1ccc(OCc2cc(-c3cccs3)on2)cn1 ZINC000101541027 1119655455 /nfs/dbraw/zinc/65/54/55/1119655455.db2.gz FPDWCVXXVLSMFJ-UHFFFAOYSA-N 0 0 272.329 3.686 10 0 CHAERN COc1cccc(F)c1[C@H](C)NC/C(Cl)=C\Cl ZINC000588382747 1120066993 /nfs/dbraw/zinc/06/69/93/1120066993.db2.gz YVDYXWRZSIKIQP-CYXIBPNKSA-N 0 0 278.154 3.804 10 0 CHAERN Fc1ccc(Cl)c(NCc2nc(-c3ccoc3)no2)c1 ZINC000105607268 1120084284 /nfs/dbraw/zinc/08/42/84/1120084284.db2.gz IPHPODCRWSMNOR-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN C[C@]1(C(=O)N2Cc3ccccc3C2)CCCc2ccccc21 ZINC000105975756 1120086429 /nfs/dbraw/zinc/08/64/29/1120086429.db2.gz AYUFDKODASDQKT-FQEVSTJZSA-N 0 0 291.394 3.823 10 0 CHAERN CC/C=C(/C)C(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000588485500 1120088580 /nfs/dbraw/zinc/08/85/80/1120088580.db2.gz IKECONYXQONCPI-PDDOBUOSSA-N 0 0 274.360 3.664 10 0 CHAERN CCC(CC)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177733236 1120221651 /nfs/dbraw/zinc/22/16/51/1120221651.db2.gz ZTKYZQYSPAEOAW-ZDUSSCGKSA-N 0 0 280.437 3.675 10 0 CHAERN CC(C)CC(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000103807584 1122096128 /nfs/dbraw/zinc/09/61/28/1122096128.db2.gz NAQFCYLZNPHYDG-KRWDZBQOSA-N 0 0 287.334 3.899 10 0 CHAERN CCCCCc1ccc(OC(=O)c2ncoc2C)cc1 ZINC000105755353 1123065815 /nfs/dbraw/zinc/06/58/15/1123065815.db2.gz OYNQBQIPOCQJQY-UHFFFAOYSA-N 0 0 273.332 3.935 10 0 CHAERN Cc1nccnc1[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000188399307 1123086997 /nfs/dbraw/zinc/08/69/97/1123086997.db2.gz PEUNNYSEFFXSHC-GFCCVEGCSA-N 0 0 280.331 3.613 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@]3(C)CCC(=O)NC3)n2)C[C@@H](C)C1 ZINC000329599629 1123629211 /nfs/dbraw/zinc/62/92/11/1123629211.db2.gz PXYGMQKQZIKZAX-KZTGVZKYSA-N 0 0 291.395 3.617 10 0 CHAERN Cc1cnc(-c2noc([C@@H]3CCC[C@@H]4CCCC[C@@H]34)n2)nc1 ZINC000329633484 1123635543 /nfs/dbraw/zinc/63/55/43/1123635543.db2.gz XEYXKYDWQLLKAZ-BFHYXJOUSA-N 0 0 298.390 3.909 10 0 CHAERN CC(C)n1cc2cc(NC(=O)N3C[C@@H]4CCC[C@@H]43)ccc2n1 ZINC000329915465 1123657943 /nfs/dbraw/zinc/65/79/43/1123657943.db2.gz DBVQBFAMUXJKEC-LRDDRELGSA-N 0 0 298.390 3.633 10 0 CHAERN Clc1cc(N2CCC[C@@H](c3nccs3)C2)ccn1 ZINC000302034652 1123951792 /nfs/dbraw/zinc/95/17/92/1123951792.db2.gz JNTQMUZISSQXHN-SNVBAGLBSA-N 0 0 279.796 3.576 10 0 CHAERN CC[C@@H](NC(=O)Nc1ccccc1)c1nc(C)cs1 ZINC000104775128 1125433194 /nfs/dbraw/zinc/43/31/94/1125433194.db2.gz ZMXJKHHGHRLMHP-GFCCVEGCSA-N 0 0 275.377 3.724 10 0 CHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000184469346 1129631285 /nfs/dbraw/zinc/63/12/85/1129631285.db2.gz PPTNBORBSWHPME-JOYOIKCWSA-N 0 0 287.388 3.648 10 0 CHAERN ONc1ccc(-n2c3ccccc3c3ccncc32)cc1 ZINC000013282588 230371148 /nfs/dbraw/zinc/37/11/48/230371148.db2.gz LECLBYWFRKFHIQ-UHFFFAOYSA-N 0 0 275.311 3.980 10 0 in-vitro CHAERN C[C@]12CCC3=C(CCc4cc(O)ccc43)[C@@H]1CC[C@H]2O ZINC000000026298 230365662 /nfs/dbraw/zinc/36/56/62/230365662.db2.gz UWYDUSMQFLTKBQ-KSZLIROESA-N 0 0 270.372 3.663 10 0 CHAERN CCCOc1cc(NCc2ccc(Cl)cc2)ncn1 ZINC000082482335 178053255 /nfs/dbraw/zinc/05/32/55/178053255.db2.gz XYTLUZNCRZUNIB-UHFFFAOYSA-N 0 0 277.755 3.531 10 0 CHAERN CC(=O)[C@H]1C[C@@H](c2ccccc2)N(C(=O)OC(C)(C)C)C1 ZINC000095764190 185027194 /nfs/dbraw/zinc/02/71/94/185027194.db2.gz PMZNFGAQYHKKLO-GJZGRUSLSA-N 0 0 289.375 3.574 10 0 CHAERN CCCCCNc1ncc(C)cc1Br ZINC000082567076 178097398 /nfs/dbraw/zinc/09/73/98/178097398.db2.gz XDIXHHMXNQQWFF-UHFFFAOYSA-N 0 0 257.175 3.755 10 0 CHAERN O=C1CCC[C@@H](c2cc(-c3ccccc3)ccn2)C1 ZINC000095831369 185029913 /nfs/dbraw/zinc/02/99/13/185029913.db2.gz USOSLYUSDDXVJX-OAHLLOKOSA-N 0 0 251.329 3.975 10 0 CHAERN CC(C)(C)Nc1ncc(Br)cc1Cl ZINC000082571834 178109378 /nfs/dbraw/zinc/10/93/78/178109378.db2.gz PYCBRVQYIYUYDA-UHFFFAOYSA-N 0 0 263.566 3.708 10 0 CHAERN O=C1CC[C@@]2(C(F)(F)F)Nc3cccc4cccc(c43)N12 ZINC000095930717 185032368 /nfs/dbraw/zinc/03/23/68/185032368.db2.gz CUUSAWIUVMOJTD-CQSZACIVSA-N 0 0 292.260 3.651 10 0 CHAERN Cc1cc(Nc2ccc(Br)cc2C)ncc1N ZINC000082586894 178123867 /nfs/dbraw/zinc/12/38/67/178123867.db2.gz VLQZZQCYVGBAKN-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN C[C@H]1C[C@H](c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C ZINC000095936326 185033966 /nfs/dbraw/zinc/03/39/66/185033966.db2.gz LSCFWKDIVOBNKW-GXTWGEPZSA-N 0 0 290.407 3.772 10 0 CHAERN COC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C ZINC000095937774 185034212 /nfs/dbraw/zinc/03/42/12/185034212.db2.gz OWINRQZPPUCHCF-PKNBQFBNSA-N 0 0 282.339 3.760 10 0 CHAERN CCOC(=O)c1cc(O)c2cccc(C(F)(F)F)c2c1 ZINC000095937656 185034243 /nfs/dbraw/zinc/03/42/43/185034243.db2.gz MHZUNHRLRJWHEV-UHFFFAOYSA-N 0 0 284.233 3.741 10 0 CHAERN Cc1cnc(-c2ccc(C(F)(F)F)cc2N)s1 ZINC000096029005 185067666 /nfs/dbraw/zinc/06/76/66/185067666.db2.gz DMDLTJZLABYICV-UHFFFAOYSA-N 0 0 258.268 3.720 10 0 CHAERN COc1ccc([C@H](C)Nc2cccc(N(C)C)c2)cc1 ZINC000082712283 178225078 /nfs/dbraw/zinc/22/50/78/178225078.db2.gz OTOHSCVCKRJWCP-ZDUSSCGKSA-N 0 0 270.376 3.934 10 0 CHAERN CCCNc1nc2ccc(Br)cc2s1 ZINC000082727377 178243609 /nfs/dbraw/zinc/24/36/09/178243609.db2.gz LMTODRGOWBEACK-UHFFFAOYSA-N 0 0 271.183 3.881 10 0 CHAERN Cn1ccnc1-c1cc(Cl)cc(Br)c1 ZINC000082739607 178261473 /nfs/dbraw/zinc/26/14/73/178261473.db2.gz UMUCIMSNTLFNLV-UHFFFAOYSA-N 0 0 271.545 3.503 10 0 CHAERN O=Cc1sc(Sc2nc3ccccc3[nH]2)nc1Cl ZINC000083250728 178368771 /nfs/dbraw/zinc/36/87/71/178368771.db2.gz JDZBAMMVFVMJAB-UHFFFAOYSA-N 0 0 295.776 3.637 10 0 CHAERN CNc1nc(-c2cc(Br)ccc2F)cs1 ZINC000083256173 178371361 /nfs/dbraw/zinc/37/13/61/178371361.db2.gz JBMRQWVMOLKOAS-UHFFFAOYSA-N 0 0 287.157 3.753 10 0 CHAERN OCc1ccc(NCc2ccc(Cl)cc2F)cc1 ZINC000083482800 178508545 /nfs/dbraw/zinc/50/85/45/178508545.db2.gz AOZOQTACIIFRJP-UHFFFAOYSA-N 0 0 265.715 3.584 10 0 CHAERN CCOC(=O)c1nc2ccc3ccccc3c2s1 ZINC000098177627 185697778 /nfs/dbraw/zinc/69/77/78/185697778.db2.gz OJKOLCKLYPDYCR-UHFFFAOYSA-N 0 0 257.314 3.626 10 0 CHAERN CCOC(=O)c1oc2cc(Br)ccc2c1C ZINC000098179738 185698573 /nfs/dbraw/zinc/69/85/73/185698573.db2.gz WUXXJIYMXCUNTB-UHFFFAOYSA-N 0 0 283.121 3.680 10 0 CHAERN Cc1ccc(OC(=O)c2ccccc2)c2ncccc12 ZINC000098180493 185699152 /nfs/dbraw/zinc/69/91/52/185699152.db2.gz ITQDNCFEDXMGSB-UHFFFAOYSA-N 0 0 263.296 3.762 10 0 CHAERN CCCn1c(N)c(C(C)(C)C)nc1-c1ccccc1 ZINC000103502740 185846650 /nfs/dbraw/zinc/84/66/50/185846650.db2.gz SUGDWEGCPCQVIF-UHFFFAOYSA-N 0 0 257.381 3.840 10 0 CHAERN Cc1nnc(Cl)n1CCc1ccc(Cl)cc1Cl ZINC000103915832 185860616 /nfs/dbraw/zinc/86/06/16/185860616.db2.gz DFRPSWSSMJPKOU-UHFFFAOYSA-N 0 0 290.581 3.789 10 0 CHAERN Clc1cccc(Sc2ncnc3ccccc32)n1 ZINC000104117832 185898442 /nfs/dbraw/zinc/89/84/42/185898442.db2.gz HUHJMIDRRYBHPO-UHFFFAOYSA-N 0 0 273.748 3.829 10 0 CHAERN CCOc1cc(O[C@H]2CCC[C@@H](C)C2)c(N)cc1F ZINC000104134014 185903445 /nfs/dbraw/zinc/90/34/45/185903445.db2.gz JFLTZXGRLLLALR-MNOVXSKESA-N 0 0 267.344 3.764 10 0 CHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1cnc2ccccc2n1 ZINC000104169876 185916127 /nfs/dbraw/zinc/91/61/27/185916127.db2.gz FJRUKYGDOVPTJS-XQQFMLRXSA-N 0 0 255.365 3.866 10 0 CHAERN Cc1c(Cl)ncnc1N[C@@H](C)C1CCCCC1 ZINC000104204546 185929658 /nfs/dbraw/zinc/92/96/58/185929658.db2.gz SYRDAYYXUDJVQG-JTQLQIEISA-N 0 0 253.777 3.819 10 0 CHAERN Cc1nc(Cl)c(C)c(Nc2ccc(F)c(F)c2F)n1 ZINC000104205654 185931375 /nfs/dbraw/zinc/93/13/75/185931375.db2.gz IQHLQCYRIIZHKU-UHFFFAOYSA-N 0 0 287.672 3.908 10 0 CHAERN CCc1c(Cl)ncnc1N1c2ccccc2C[C@H]1C ZINC000104215432 185933428 /nfs/dbraw/zinc/93/34/28/185933428.db2.gz UITNHWLZKDGQJN-SNVBAGLBSA-N 0 0 273.767 3.775 10 0 CHAERN Cc1c(Cl)ncnc1N[C@@H]1CCCc2sccc21 ZINC000104215594 185933549 /nfs/dbraw/zinc/93/35/49/185933549.db2.gz YPJMRAPOKMULMT-SNVBAGLBSA-N 0 0 279.796 3.989 10 0 CHAERN Cc1csc(Sc2cccc(F)c2[C@@H](C)O)n1 ZINC000104287724 185956354 /nfs/dbraw/zinc/95/63/54/185956354.db2.gz DTPHXOZROHESAQ-MRVPVSSYSA-N 0 0 269.366 3.795 10 0 CHAERN OCc1cc(F)c(Sc2ccc(F)cc2F)c(F)c1 ZINC000104293578 185957637 /nfs/dbraw/zinc/95/76/37/185957637.db2.gz DGIWIIOIFMOVBO-UHFFFAOYSA-N 0 0 288.265 3.887 10 0 CHAERN O=Cc1ccc(Sc2cc(F)ccc2F)cc1 ZINC000104299007 185958824 /nfs/dbraw/zinc/95/88/24/185958824.db2.gz PSUNCMIFMVZNAR-UHFFFAOYSA-N 0 0 250.269 3.929 10 0 CHAERN CSc1nc2ccc(NC[C@H]3CCCOC3)cc2s1 ZINC000104326312 185970531 /nfs/dbraw/zinc/97/05/31/185970531.db2.gz AFVJVAKFTMRCKV-SNVBAGLBSA-N 0 0 294.445 3.857 10 0 CHAERN CSc1ccc(NC(=O)c2c(N)cccc2Cl)cc1 ZINC000104332969 185972392 /nfs/dbraw/zinc/97/23/92/185972392.db2.gz KWLZDWOOQSPBLZ-UHFFFAOYSA-N 0 0 292.791 3.896 10 0 CHAERN COc1cc2c(c(OC)c1)[C@](C)(C1=CCCCC1)CO2 ZINC000090527958 179997557 /nfs/dbraw/zinc/99/75/57/179997557.db2.gz FZDSKVOPYZPZIR-KRWDZBQOSA-N 0 0 274.360 3.854 10 0 CHAERN C[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)c1ccccc1N ZINC000104432707 186000437 /nfs/dbraw/zinc/00/04/37/186000437.db2.gz LFLOZCRAACXMLZ-VXGBXAGGSA-N 0 0 262.397 3.518 10 0 CHAERN COCc1sc2ccccc2c1Br ZINC000090556024 180003644 /nfs/dbraw/zinc/00/36/44/180003644.db2.gz JGCTXEAOIBZJAK-UHFFFAOYSA-N 0 0 257.152 3.810 10 0 CHAERN CCC(CC)[C@@H](C)Nc1ccc(C(N)=S)cc1F ZINC000104437474 186001437 /nfs/dbraw/zinc/00/14/37/186001437.db2.gz IQKIOSLBAFGGOJ-SECBINFHSA-N 0 0 268.401 3.697 10 0 CHAERN COc1ncc(-c2cccc(F)c2)c2c(O)cccc12 ZINC000090555779 180003795 /nfs/dbraw/zinc/00/37/95/180003795.db2.gz MSMOIOZMTYVZSK-UHFFFAOYSA-N 0 0 269.275 3.755 10 0 CHAERN Fc1cccc(Nc2cc(Cl)nc(Cl)n2)c1 ZINC000090558606 180004278 /nfs/dbraw/zinc/00/42/78/180004278.db2.gz LBSFVOUKVDQOGU-UHFFFAOYSA-N 0 0 258.083 3.666 10 0 CHAERN CCC(CC)[C@H](C)N1C(=S)N=NC1c1ccccn1 ZINC000104444535 186003909 /nfs/dbraw/zinc/00/39/09/186003909.db2.gz XHVFQCXOXMSSOF-JTQLQIEISA-N 0 0 276.409 3.626 10 0 CHAERN Cc1ncsc1CN(C)c1ccc([C@@H](C)O)cc1Cl ZINC000104444573 186004450 /nfs/dbraw/zinc/00/44/50/186004450.db2.gz ZGPDQCZXQDTBOM-SNVBAGLBSA-N 0 0 296.823 3.795 10 0 CHAERN C[C@@H](Cc1nc(-c2ccc(N)cc2)no1)C(C)(C)C ZINC000104444139 186003808 /nfs/dbraw/zinc/00/38/08/186003808.db2.gz MIEHARNXECHWPD-JTQLQIEISA-N 0 0 259.353 3.544 10 0 CHAERN O=Cc1ccc2nccc(-c3scc4c3OCCO4)c2c1 ZINC000091301805 180129467 /nfs/dbraw/zinc/12/94/67/180129467.db2.gz TWPNWUBCJNVNHB-UHFFFAOYSA-N 0 0 297.335 3.547 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(Cl)cc2ncoc21 ZINC000091353311 180138084 /nfs/dbraw/zinc/13/80/84/180138084.db2.gz BOPKJUDSOIBAGW-UHFFFAOYSA-N 0 0 268.700 3.828 10 0 CHAERN OCc1ccc(OC2CCCCC2)c(C(F)(F)F)c1 ZINC000109410951 186251995 /nfs/dbraw/zinc/25/19/95/186251995.db2.gz FCJGDVUSRQBDNH-UHFFFAOYSA-N 0 0 274.282 3.909 10 0 CHAERN C[C@@H]1CCCC[C@H]1OC(=O)c1cc(Cl)ccc1N ZINC000110463586 186297357 /nfs/dbraw/zinc/29/73/57/186297357.db2.gz WGAIUCCPWZNVQQ-NOZJJQNGSA-N 0 0 267.756 3.658 10 0 CHAERN CC[C@@H](Nc1cn(C)nc1C(C)C)c1ccc(F)cn1 ZINC000336829390 334973759 /nfs/dbraw/zinc/97/37/59/334973759.db2.gz HKDUIKGPFNEUQZ-GFCCVEGCSA-N 0 0 276.359 3.641 10 0 CHAERN O=C(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000142139775 187909760 /nfs/dbraw/zinc/90/97/60/187909760.db2.gz WFDIPYGKULKTFY-UHFFFAOYSA-N 0 0 294.137 3.564 10 0 CHAERN C[Si](C)(C)c1cc2cc(Br)cnc2s1 ZINC000203638212 189684488 /nfs/dbraw/zinc/68/44/88/189684488.db2.gz JEJWJXKIGYZTMJ-UHFFFAOYSA-N 0 0 286.270 3.604 10 0 CHAERN CC(C)(C)OC(=O)c1cccc(Br)c1F ZINC000232558849 189817503 /nfs/dbraw/zinc/81/75/03/189817503.db2.gz HROZEBMMDVWPRM-UHFFFAOYSA-N 0 0 275.117 3.544 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](c3ccccc3)ON2C)cc1 ZINC000255996531 190000389 /nfs/dbraw/zinc/00/03/89/190000389.db2.gz QFMZPFVAHTYRNQ-IRXDYDNUSA-N 0 0 269.344 3.745 10 0 CHAERN O=Cc1ccc2c(Br)cc(F)cc2c1 ZINC000261506911 190039581 /nfs/dbraw/zinc/03/95/81/190039581.db2.gz CISGOSWOHJIUOF-UHFFFAOYSA-N 0 0 253.070 3.554 10 0 CHAERN COc1c2c(c(Br)cc1Cl)OCC2(C)C ZINC000261506902 190039834 /nfs/dbraw/zinc/03/98/34/190039834.db2.gz CGFDUKMGMLYQAA-UHFFFAOYSA-N 0 0 291.572 3.781 10 0 CHAERN CSc1nc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000261507217 190040311 /nfs/dbraw/zinc/04/03/11/190040311.db2.gz GMYBBWRZEZKJNJ-UHFFFAOYSA-N 0 0 270.357 3.864 10 0 CHAERN Brc1cccc([C@H]2OCCCCS2)c1 ZINC000039325884 184545513 /nfs/dbraw/zinc/54/55/13/184545513.db2.gz MEBDFRNYMQMADD-NSHDSACASA-N 0 0 273.195 3.991 10 0 CHAERN Cc1ccc(C)c(NC(=S)NC(=O)C2CCCCC2)c1 ZINC000000503044 169657884 /nfs/dbraw/zinc/65/78/84/169657884.db2.gz DQGWYUILKYMZMY-UHFFFAOYSA-N 0 0 290.432 3.697 10 0 CHAERN CCN(C(=S)NC(=O)c1cccc(C)c1)c1ccccc1 ZINC000000511476 169659494 /nfs/dbraw/zinc/65/94/94/169659494.db2.gz QDKBDBCVTJJEEC-UHFFFAOYSA-N 0 0 298.411 3.536 10 0 CHAERN Cc1cc(Br)ccc1C1(O)CCCC1 ZINC000521402034 256845218 /nfs/dbraw/zinc/84/52/18/256845218.db2.gz XUJSCWPBZVUNFI-UHFFFAOYSA-N 0 0 255.155 3.519 10 0 CHAERN CSc1nnc(S[C@H](C)C(=O)c2ccccc2)s1 ZINC000095082316 184937852 /nfs/dbraw/zinc/93/78/52/184937852.db2.gz UQZDCJDBKACUCI-MRVPVSSYSA-N 0 0 296.442 3.624 10 0 CHAERN OCc1ccc(Oc2ccc3ccccc3n2)cc1 ZINC000095082621 184937948 /nfs/dbraw/zinc/93/79/48/184937948.db2.gz IXVBDFPOPAQVHJ-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN C[C@H](O[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccs1 ZINC000095089313 184939867 /nfs/dbraw/zinc/93/98/67/184939867.db2.gz XQQFHXVJLZBIBJ-RYUDHWBXSA-N 0 0 297.420 3.835 10 0 CHAERN Cc1ccc(CN2CCCc3c(N)cccc32)cc1 ZINC000037906212 134850975 /nfs/dbraw/zinc/85/09/75/134850975.db2.gz SNRWJJZPNYSASE-UHFFFAOYSA-N 0 0 252.361 3.530 10 0 CHAERN Fc1ccc2onc(-c3cnn(-c4ccccc4)c3)c2c1 ZINC000002511292 169797522 /nfs/dbraw/zinc/79/75/22/169797522.db2.gz UCWGRRBYLCMQJK-UHFFFAOYSA-N 0 0 279.274 3.820 10 0 CHAERN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000003181553 169865609 /nfs/dbraw/zinc/86/56/09/169865609.db2.gz XBZZWYVEOVZNNF-LSDHHAIUSA-N 0 0 255.292 3.568 10 0 CHAERN CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004323312 169957551 /nfs/dbraw/zinc/95/75/51/169957551.db2.gz VBPUHQSYDZQJKL-UHIISALHSA-N 0 0 276.767 3.768 10 0 CHAERN CC(C)CCSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000005154811 170071171 /nfs/dbraw/zinc/07/11/71/170071171.db2.gz TYNICQPYCFORAI-UHFFFAOYSA-N 0 0 274.389 3.575 10 0 CHAERN c1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 ZINC000005381027 170091889 /nfs/dbraw/zinc/09/18/89/170091889.db2.gz NCFOTSYZNARVLZ-UHFFFAOYSA-N 0 0 279.368 3.831 10 0 CHAERN CC(=O)Oc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000005413681 170096041 /nfs/dbraw/zinc/09/60/41/170096041.db2.gz XZWHHIZSFVJANO-UHFFFAOYSA-N 0 0 297.354 3.988 10 0 CHAERN O=C1CCCC[C@@H]1C1(n2nc3ccccc3n2)CCCCC1 ZINC000005519738 170107734 /nfs/dbraw/zinc/10/77/34/170107734.db2.gz GKYLYQCUPGLUOB-AWEZNQCLSA-N 0 0 297.402 3.850 10 0 CHAERN CCOC(=O)c1c(N)scc1-c1cccc(Cl)c1 ZINC000005592822 170117257 /nfs/dbraw/zinc/11/72/57/170117257.db2.gz JKVNKZUYQAXJCA-UHFFFAOYSA-N 0 0 281.764 3.827 10 0 CHAERN CC[C@H](CCCC[C@@H]1CC[C@H]2CC(=O)C[C@H]12)OC ZINC000005651452 170124200 /nfs/dbraw/zinc/12/42/00/170124200.db2.gz KDULJHFMZBRAHO-OCVGTWLNSA-N 0 0 252.398 3.977 10 0 in-man CHAERN CC(C)NC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000005727252 170134163 /nfs/dbraw/zinc/13/41/63/170134163.db2.gz LVZBHIGHVLRGBI-UHFFFAOYSA-N 0 0 266.555 3.785 10 0 CHAERN CC[C@H](C)Oc1nc(N)cc(Sc2cccc(C)c2)n1 ZINC000005846612 170146527 /nfs/dbraw/zinc/14/65/27/170146527.db2.gz SHCRRKBMJQUNLH-NSHDSACASA-N 0 0 289.404 3.696 10 0 CHAERN CC[C@H](C)Oc1cc(N)nc(Sc2cccc(C)c2)n1 ZINC000005846511 170146850 /nfs/dbraw/zinc/14/68/50/170146850.db2.gz MGHQYNZKXNVEGN-NSHDSACASA-N 0 0 289.404 3.696 10 0 CHAERN Cc1cc2ncn(C(=O)Cc3ccccc3)c2cc1C ZINC000005926788 170156533 /nfs/dbraw/zinc/15/65/33/170156533.db2.gz XTQPDMSKDNYOKB-UHFFFAOYSA-N 0 0 264.328 3.536 10 0 CHAERN C[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000006201292 170182011 /nfs/dbraw/zinc/18/20/11/170182011.db2.gz GTTPERHXSZYFKL-ABZNLYFFSA-N 0 0 263.768 3.612 10 0 CHAERN COc1ccc2nc(-c3ccccc3)[nH]c(=S)c2c1 ZINC000006248029 170185361 /nfs/dbraw/zinc/18/53/61/170185361.db2.gz BEBYNNAMXFMDMG-UHFFFAOYSA-N 0 0 268.341 3.968 10 0 CHAERN CCCCCCNC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000006273267 170187526 /nfs/dbraw/zinc/18/75/26/170187526.db2.gz BQGKARRCXWQADP-UHFFFAOYSA-N 0 0 290.407 3.591 10 0 CHAERN CC[C@H]1CCCCN1C(=O)c1c(F)c(C)cc(F)c1F ZINC000006397236 170198126 /nfs/dbraw/zinc/19/81/26/170198126.db2.gz YYQLCBFHHKQUHX-JTQLQIEISA-N 0 0 285.309 3.817 10 0 CHAERN c1csc(-c2ncnc3c2ncn3Cc2ccccc2)c1 ZINC000006581125 170215342 /nfs/dbraw/zinc/21/53/42/170215342.db2.gz PAAXDEJAQCUKRO-UHFFFAOYSA-N 0 0 292.367 3.603 10 0 CHAERN CC(C)CCNC(=O)c1cc2sc(Cl)cc2n1C ZINC000006804697 170245367 /nfs/dbraw/zinc/24/53/67/170245367.db2.gz CPFWJNHKNTWDHE-UHFFFAOYSA-N 0 0 284.812 3.669 10 0 CHAERN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1OC ZINC000006934199 170256471 /nfs/dbraw/zinc/25/64/71/170256471.db2.gz NGUPYHWJMUFPRK-MRXNPFEDSA-N 0 0 299.370 3.800 10 0 CHAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)nc1)c1cccs1 ZINC000007078164 170266457 /nfs/dbraw/zinc/26/64/57/170266457.db2.gz OSAOXMGFMWPBCU-CYBMUJFWSA-N 0 0 294.807 3.924 10 0 CHAERN CCCCCC(=O)NC(=S)Nc1cccc(C)c1C ZINC000007445836 170285156 /nfs/dbraw/zinc/28/51/56/170285156.db2.gz GSTWBRKNFAUBOQ-UHFFFAOYSA-N 0 0 278.421 3.697 10 0 CHAERN COc1ccc(OC)c(-c2csc(NCC(C)C)n2)c1 ZINC000007643328 170295137 /nfs/dbraw/zinc/29/51/37/170295137.db2.gz LAZLEWYJDGVPGX-UHFFFAOYSA-N 0 0 292.404 3.895 10 0 CHAERN Cc1nc(-c2ccsc2)sc1C(=O)NC1CCCC1 ZINC000007951239 170309354 /nfs/dbraw/zinc/30/93/54/170309354.db2.gz AAYOGWYHEOGQGD-UHFFFAOYSA-N 0 0 292.429 3.852 10 0 CHAERN Cc1c2ccccc2sc1C(=O)Nc1cccc(CO)c1 ZINC000007965400 170310020 /nfs/dbraw/zinc/31/00/20/170310020.db2.gz VSFQKZPSLWDGPL-UHFFFAOYSA-N 0 0 297.379 3.954 10 0 CHAERN COc1ccc(C)cc1NC(=O)/C=C/c1ccccc1C ZINC000007971412 170310325 /nfs/dbraw/zinc/31/03/25/170310325.db2.gz JMHBHDDTIKXIAW-PKNBQFBNSA-N 0 0 281.355 3.964 10 0 CHAERN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000008106431 170319265 /nfs/dbraw/zinc/31/92/65/170319265.db2.gz UDTULYYZHSZGSA-CQSZACIVSA-N 0 0 283.371 3.963 10 0 CHAERN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1 ZINC000008162752 170322034 /nfs/dbraw/zinc/32/20/34/170322034.db2.gz ZXVLENBJRXFIOG-CQSZACIVSA-N 0 0 269.344 3.709 10 0 CHAERN CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000008276625 170328704 /nfs/dbraw/zinc/32/87/04/170328704.db2.gz FADUECMVWFKFJO-FZTGFJCWSA-N 0 0 287.403 3.793 10 0 CHAERN Nc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000008553463 170340000 /nfs/dbraw/zinc/34/00/00/170340000.db2.gz AYTHFZRJYOUPGO-UHFFFAOYSA-N 0 0 267.376 3.613 10 0 CHAERN COc1ccc(CCn2c(C)cc(C(C)=O)c2C)cc1 ZINC000009246061 170368259 /nfs/dbraw/zinc/36/82/59/170368259.db2.gz FPJFIAFRNBALKL-UHFFFAOYSA-N 0 0 271.360 3.559 10 0 CHAERN Nc1ncnc2nc(-c3ccco3)cc(-c3cccs3)c12 ZINC000009694600 170384599 /nfs/dbraw/zinc/38/45/99/170384599.db2.gz MYZRMEJOAYKMQY-UHFFFAOYSA-N 0 0 294.339 3.596 10 0 CHAERN Cc1nn(C(=O)c2ccc(Cl)cc2Cl)c(C)c1C ZINC000010155523 170399001 /nfs/dbraw/zinc/39/90/01/170399001.db2.gz VLJRWNIGVMOEFM-UHFFFAOYSA-N 0 0 283.158 3.804 10 0 CHAERN CC(C)Sc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000011541293 170419941 /nfs/dbraw/zinc/41/99/41/170419941.db2.gz HDHDCTHSACBYGF-QMMMGPOBSA-N 0 0 294.445 3.610 10 0 CHAERN CSc1nc(C)c(Cc2ccccc2)c(Cl)n1 ZINC000011770278 170440477 /nfs/dbraw/zinc/44/04/77/170440477.db2.gz XZFALFCBORGRPQ-UHFFFAOYSA-N 0 0 264.781 3.751 10 0 CHAERN Cc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 ZINC000012725327 170505352 /nfs/dbraw/zinc/50/53/52/170505352.db2.gz JHMVOEJCOXREEU-UHFFFAOYSA-N 0 0 298.367 3.642 10 0 CHAERN CCCN(CCC)C(=O)c1ccc(OCC)cc1OCC ZINC000014646777 170641201 /nfs/dbraw/zinc/64/12/01/170641201.db2.gz SJADFLZVKXXLDN-UHFFFAOYSA-N 0 0 293.407 3.746 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc3c2CCCN3)cc1C ZINC000019268217 170765469 /nfs/dbraw/zinc/76/54/69/170765469.db2.gz PRBRJZRXSZZDBF-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN Nc1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000019272826 170767743 /nfs/dbraw/zinc/76/77/43/170767743.db2.gz MQKXQHUSFGGQCG-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Nc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000019278074 170770254 /nfs/dbraw/zinc/77/02/54/170770254.db2.gz VVQXAJZXHBZYIY-UHFFFAOYSA-N 0 0 276.339 3.603 10 0 CHAERN CSc1cccc(NC(=O)c2cccc(N)c2C)c1 ZINC000019278648 170770478 /nfs/dbraw/zinc/77/04/78/170770478.db2.gz XOUUJLUOIBHETL-UHFFFAOYSA-N 0 0 272.373 3.551 10 0 CHAERN Cc1c(N)cccc1NC(=O)CCO[C@H]1CCCC[C@@H]1C ZINC000019404835 170786464 /nfs/dbraw/zinc/78/64/64/170786464.db2.gz ATVPEODLGQOMRZ-LRDDRELGSA-N 0 0 290.407 3.501 10 0 CHAERN COc1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC000019408972 170788608 /nfs/dbraw/zinc/78/86/08/170788608.db2.gz LOIPKUGWLXCWBV-UHFFFAOYSA-N 0 0 270.719 3.959 10 0 CHAERN CC[C@@H](C(=O)Nc1ccc(C)c(N)c1)c1ccccc1 ZINC000019439580 170801612 /nfs/dbraw/zinc/80/16/12/170801612.db2.gz OEKSNKYGFBURFQ-OAHLLOKOSA-N 0 0 268.360 3.710 10 0 CHAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(F)cc1Cl ZINC000019471903 170805104 /nfs/dbraw/zinc/80/51/04/170805104.db2.gz ALTCNEVQVMEIBT-UHFFFAOYSA-N 0 0 292.741 3.930 10 0 CHAERN Cc1cc(C)cc(-n2nc(-c3ccccc3)cc2N)c1 ZINC000019689063 170841518 /nfs/dbraw/zinc/84/15/18/170841518.db2.gz QRWGQQVMQMNWGU-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN CSc1cccc(NCC(=O)Nc2ccc(F)cc2)c1 ZINC000019773384 170857712 /nfs/dbraw/zinc/85/77/12/170857712.db2.gz USWKXFRQFJNHPW-UHFFFAOYSA-N 0 0 290.363 3.598 10 0 CHAERN O=C(CNc1ccc(F)cc1F)Nc1ccc(Cl)cc1 ZINC000019773310 170857862 /nfs/dbraw/zinc/85/78/62/170857862.db2.gz XOEVMBGUKZJVJX-UHFFFAOYSA-N 0 0 296.704 3.669 10 0 CHAERN CCN(CC)c1nc2ccc(Cl)cc2cc1C=O ZINC000019821768 170882224 /nfs/dbraw/zinc/88/22/24/170882224.db2.gz VIJYBZBSVXLHMR-UHFFFAOYSA-N 0 0 262.740 3.547 10 0 CHAERN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 ZINC000019838634 170887588 /nfs/dbraw/zinc/88/75/88/170887588.db2.gz ONDZOCFMKJMXSG-UHFFFAOYSA-N 0 0 282.126 3.951 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc(Cl)cc1N ZINC000019845751 170893774 /nfs/dbraw/zinc/89/37/74/170893774.db2.gz LJUASYBXSVEYBU-UHFFFAOYSA-N 0 0 276.723 3.673 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1NC[C@H]1CCOC1 ZINC000019910807 170921443 /nfs/dbraw/zinc/92/14/43/170921443.db2.gz TUFXTKWWQNYNRX-MRVPVSSYSA-N 0 0 279.689 3.807 10 0 CHAERN Cc1ccc(CN2CCCc3ccccc32)cc1N ZINC000020073720 170983870 /nfs/dbraw/zinc/98/38/70/170983870.db2.gz KGLSLXBFFDUHOX-UHFFFAOYSA-N 0 0 252.361 3.530 10 0 CHAERN Cc1cccc(Oc2ccccc2C(N)=S)c1C ZINC000020077412 170985107 /nfs/dbraw/zinc/98/51/07/170985107.db2.gz ARDRFADRLXJKEU-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000020124724 171007078 /nfs/dbraw/zinc/00/70/78/171007078.db2.gz YVKJKGLEQPPKKZ-AWEZNQCLSA-N 0 0 282.387 3.836 10 0 CHAERN Nc1ccc(NCCc2ccc(Cl)cc2)c(F)c1 ZINC000020135633 171023126 /nfs/dbraw/zinc/02/31/26/171023126.db2.gz FQDCABTYBSYHNR-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Fc1cccc(CNCc2nc3ccccc3s2)c1 ZINC000020135933 171023245 /nfs/dbraw/zinc/02/32/45/171023245.db2.gz IJVFNECMXKXMFB-UHFFFAOYSA-N 0 0 272.348 3.725 10 0 CHAERN Cc1cc(C)c(NC(=O)CCc2cccc(N)c2)c(C)c1 ZINC000020187112 171051525 /nfs/dbraw/zinc/05/15/25/171051525.db2.gz DPZKZRSZZJXTLU-UHFFFAOYSA-N 0 0 282.387 3.765 10 0 CHAERN CN(C(=O)CCC1CCCCC1)c1ccc(O)cc1 ZINC000020210822 171074065 /nfs/dbraw/zinc/07/40/65/171074065.db2.gz YUAQORXUAXEOSZ-UHFFFAOYSA-N 0 0 261.365 3.716 10 0 CHAERN Fc1ccccc1NCc1ccc2ccccc2n1 ZINC000020246286 171099041 /nfs/dbraw/zinc/09/90/41/171099041.db2.gz VMLRLNAOBMPUDD-UHFFFAOYSA-N 0 0 252.292 3.986 10 0 CHAERN Cc1cccc(N2C(=S)N=NC2c2cccs2)c1 ZINC000020303858 171140246 /nfs/dbraw/zinc/14/02/46/171140246.db2.gz HLDXHDMILNQYNS-UHFFFAOYSA-N 0 0 273.386 3.593 10 0 CHAERN C[C@@H](Nc1ccc(F)cc1Cl)C(=O)NC1CCCCC1 ZINC000020308610 171143694 /nfs/dbraw/zinc/14/36/94/171143694.db2.gz HBTIESXEEXCSCW-SNVBAGLBSA-N 0 0 298.789 3.728 10 0 CHAERN Nc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 ZINC000020335909 171152769 /nfs/dbraw/zinc/15/27/69/171152769.db2.gz QMWJKJFZGMVCPA-UHFFFAOYSA-N 0 0 295.367 3.645 10 0 CHAERN Cn1cccc1CNc1ccc(C(F)(F)F)cc1 ZINC000020359228 171158322 /nfs/dbraw/zinc/15/83/22/171158322.db2.gz YPIRWEYBNLIOSX-UHFFFAOYSA-N 0 0 254.255 3.656 10 0 CHAERN CCOc1ccccc1CNc1c(F)cccc1F ZINC000020361227 171159319 /nfs/dbraw/zinc/15/93/19/171159319.db2.gz TVAOSXNYZHBRFW-UHFFFAOYSA-N 0 0 263.287 3.976 10 0 CHAERN COc1ccccc1C(=O)c1oc2ccccc2c1C ZINC000020362319 171160575 /nfs/dbraw/zinc/16/05/75/171160575.db2.gz XGCRNHQPDKWTKH-UHFFFAOYSA-N 0 0 266.296 3.981 10 0 CHAERN CCOc1ccc([C@H](N)c2cc3ccccc3o2)cc1 ZINC000020369205 171167079 /nfs/dbraw/zinc/16/70/79/171167079.db2.gz BIQLFOJIPKPMKL-KRWDZBQOSA-N 0 0 267.328 3.880 10 0 CHAERN Nc1ccsc1-c1nc2cc(Cl)ccc2o1 ZINC000020376117 171171410 /nfs/dbraw/zinc/17/14/10/171171410.db2.gz VYEBTRQUWXQXEH-UHFFFAOYSA-N 0 0 250.710 3.792 10 0 CHAERN Nc1cc(Cl)ccc1NCc1ccccc1F ZINC000020383915 171174253 /nfs/dbraw/zinc/17/42/53/171174253.db2.gz ZYFVVTAKZYPGJG-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN COc1ccc2oc([C@@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389609 171179239 /nfs/dbraw/zinc/17/92/39/171179239.db2.gz CRLQIHALNWBSSD-INIZCTEOSA-N 0 0 271.291 3.629 10 0 CHAERN O=c1[nH]c(Nc2cc(Cl)ccc2Cl)cs1 ZINC000020391478 171180082 /nfs/dbraw/zinc/18/00/82/171180082.db2.gz QCOCKZGSGPIFFH-UHFFFAOYSA-N 0 0 261.133 3.671 10 0 CHAERN Cc1cccc2ccc(C=C3SC(=S)NC3=O)nc12 ZINC000020413994 171183320 /nfs/dbraw/zinc/18/33/20/171183320.db2.gz CVAMXQJOXDFRKA-XFFZJAGNSA-N 0 0 286.381 3.872 10 0 CHAERN Nc1ccc2nc(-c3ccc4c(c3)CCC4)oc2c1 ZINC000020424042 171191099 /nfs/dbraw/zinc/19/10/99/171191099.db2.gz JBXXOURQHXBNPQ-UHFFFAOYSA-N 0 0 250.301 3.566 10 0 CHAERN O=C(Cc1ccccn1)c1ccccc1C(F)(F)F ZINC000020427215 171192387 /nfs/dbraw/zinc/19/23/87/171192387.db2.gz SYRUVPQDQAJESD-UHFFFAOYSA-N 0 0 265.234 3.526 10 0 CHAERN OCc1ccc(Oc2ccccc2Br)cc1 ZINC000020435079 171200613 /nfs/dbraw/zinc/20/06/13/171200613.db2.gz OUFWQMAUMDUPNO-UHFFFAOYSA-N 0 0 279.133 3.734 10 0 CHAERN OCc1c(Cl)cccc1N1CCCCCCC1 ZINC000020435043 171200703 /nfs/dbraw/zinc/20/07/03/171200703.db2.gz CQCCMNOZYNABOG-UHFFFAOYSA-N 0 0 253.773 3.603 10 0 CHAERN Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C=O ZINC000020444794 171205711 /nfs/dbraw/zinc/20/57/11/171205711.db2.gz RGPVDMRDSBJQES-UHFFFAOYSA-N 0 0 285.130 3.640 10 0 CHAERN NC(=S)c1ccccc1Nc1cccc(Cl)c1F ZINC000020472657 171215631 /nfs/dbraw/zinc/21/56/31/171215631.db2.gz RGWADLUFWJCNLY-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN Nc1ccc(OCc2ccccc2Cl)c(F)c1 ZINC000020474929 171218995 /nfs/dbraw/zinc/21/89/95/171218995.db2.gz WKURNJDSZRDGQB-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN Fc1cccc(F)c1N[C@H]1CCOc2ccccc21 ZINC000020476072 171220393 /nfs/dbraw/zinc/22/03/93/171220393.db2.gz QBJGDJLAPCUTDB-ZDUSSCGKSA-N 0 0 261.271 3.901 10 0 CHAERN CC(C)[C@H](C)Nc1ccc(I)cc1 ZINC000020477623 171221311 /nfs/dbraw/zinc/22/13/11/171221311.db2.gz PDSGTSZJXCESOX-VIFPVBQESA-N 0 0 289.160 3.748 10 0 CHAERN COCCNc1c(Cl)cc(Cl)cc1Cl ZINC000020505379 171228499 /nfs/dbraw/zinc/22/84/99/171228499.db2.gz UTLKXLYMQYKPQU-UHFFFAOYSA-N 0 0 254.544 3.705 10 0 CHAERN COC(C)(C)C[C@@H](C)Nc1cccc2cccnc21 ZINC000020524226 171237329 /nfs/dbraw/zinc/23/73/29/171237329.db2.gz PWSXIPBFYOEHJL-GFCCVEGCSA-N 0 0 258.365 3.850 10 0 CHAERN CC(C)c1csc(NC(=O)Nc2ccccc2)n1 ZINC000020542187 171241914 /nfs/dbraw/zinc/24/19/14/171241914.db2.gz OSKGSRQAWZEDHM-UHFFFAOYSA-N 0 0 261.350 3.911 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1cncc(Cl)n1 ZINC000020555660 171249852 /nfs/dbraw/zinc/24/98/52/171249852.db2.gz NLISVPPENUJPTC-TUAOUCFPSA-N 0 0 268.788 3.970 10 0 CHAERN Cc1cnn([C@@H](C)c2ccc(Cl)cc2Cl)c1N ZINC000020578797 171256909 /nfs/dbraw/zinc/25/69/09/171256909.db2.gz NHINAMWVNFOWLY-QMMMGPOBSA-N 0 0 270.163 3.690 10 0 CHAERN Cc1cc(-n2cc[nH]c2=S)ccc1Br ZINC000020581105 171257303 /nfs/dbraw/zinc/25/73/03/171257303.db2.gz GXRZRIZGAPTFRH-UHFFFAOYSA-N 0 0 269.167 3.606 10 0 CHAERN S=C1N=NC(C2CC2)N1c1cc(Cl)ccc1Cl ZINC000020588714 171260046 /nfs/dbraw/zinc/26/00/46/171260046.db2.gz DVKJVFRTGXIHOZ-UHFFFAOYSA-N 0 0 286.187 3.740 10 0 CHAERN S=C1N=NC(c2ccccc2)N1c1ccccc1Cl ZINC000020590380 171260713 /nfs/dbraw/zinc/26/07/13/171260713.db2.gz ZWPGTWRIINFKKC-UHFFFAOYSA-N 0 0 287.775 3.876 10 0 CHAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccncc1 ZINC000020592855 171262467 /nfs/dbraw/zinc/26/24/67/171262467.db2.gz TVAQLSLVLDNOGK-CQSZACIVSA-N 0 0 258.708 3.529 10 0 CHAERN NC(=S)c1ccccc1Nc1ccc(F)cc1Cl ZINC000020595497 171264143 /nfs/dbraw/zinc/26/41/43/171264143.db2.gz CUFBRCNVPMWLBF-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN CCC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1 ZINC000021003821 171284966 /nfs/dbraw/zinc/28/49/66/171284966.db2.gz MXVQANQBDUBMGK-UHFFFAOYSA-N 0 0 288.391 3.862 10 0 CHAERN CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)c(C)c1 ZINC000021004864 171285100 /nfs/dbraw/zinc/28/51/00/171285100.db2.gz BEZXSKOLUNJDDX-UHFFFAOYSA-N 0 0 296.370 3.525 10 0 CHAERN Cc1ccc(C)c(Oc2ccccc2C(N)=S)c1 ZINC000021009248 171285915 /nfs/dbraw/zinc/28/59/15/171285915.db2.gz KSOXRJUFMRFFCB-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1O ZINC000021010848 171286707 /nfs/dbraw/zinc/28/67/07/171286707.db2.gz CWKWDEXIDFXGFP-UHFFFAOYSA-N 0 0 261.708 3.606 10 0 CHAERN Nc1ccc(-c2ccccc2OC(F)(F)F)cc1F ZINC000021950914 171339810 /nfs/dbraw/zinc/33/98/10/171339810.db2.gz QKZWNOCRIXZVIS-UHFFFAOYSA-N 0 0 271.213 3.974 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N)cc1F ZINC000021955478 171341513 /nfs/dbraw/zinc/34/15/13/171341513.db2.gz XNKKAVQQTFSOBM-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000021957674 171341702 /nfs/dbraw/zinc/34/17/02/171341702.db2.gz OTRXSPGMYTWPMA-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Cc1cccc(NC(=O)Nc2cc(N)ccc2C)c1 ZINC000021966983 171344036 /nfs/dbraw/zinc/34/40/36/171344036.db2.gz JQEWIVAQMUIJOG-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN C[C@H](C(=O)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000021996865 171347638 /nfs/dbraw/zinc/34/76/38/171347638.db2.gz YKJJINLOTHGNPP-BZNIZROVSA-N 0 0 274.747 3.892 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)c1ccccc1Cl ZINC000022145559 171356438 /nfs/dbraw/zinc/35/64/38/171356438.db2.gz PGWNIHSUWDVHQK-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Nc1ccc(NC(=O)CCOC2CCCCC2)c(Cl)c1 ZINC000022165692 171365890 /nfs/dbraw/zinc/36/58/90/171365890.db2.gz HAWGDELNEORDCW-UHFFFAOYSA-N 0 0 296.798 3.600 10 0 CHAERN C[C@H](Nc1cnc2ccccc2n1)c1ccc(F)cc1 ZINC000026135483 171472837 /nfs/dbraw/zinc/47/28/37/171472837.db2.gz UEVOUKUOTBFDCI-NSHDSACASA-N 0 0 267.307 3.942 10 0 CHAERN COc1ccc(-c2nnsc2-c2ccc(OC)cc2)cc1 ZINC000027520307 171518650 /nfs/dbraw/zinc/51/86/50/171518650.db2.gz LCNSXZJIADUFLI-UHFFFAOYSA-N 0 0 298.367 3.889 10 0 CHAERN COc1ccc(NC(=O)Oc2ccc3ncccc3c2)cc1 ZINC000027732473 171530470 /nfs/dbraw/zinc/53/04/70/171530470.db2.gz YRMZMQZKYPVMKP-UHFFFAOYSA-N 0 0 294.310 3.854 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)c2ccco2)cc1 ZINC000028574632 171565242 /nfs/dbraw/zinc/56/52/42/171565242.db2.gz MBKDMGFKLDFVQA-LBPRGKRZSA-N 0 0 257.333 3.894 10 0 CHAERN Cc1c2ccc(O)cc2n(C)c1-c1cccc(O)c1 ZINC000029226528 171590582 /nfs/dbraw/zinc/59/05/82/171590582.db2.gz IXGXMZIXWZYDDK-UHFFFAOYSA-N 0 0 253.301 3.565 10 0 CHAERN O[C@@H](CNc1cccc(Cl)c1)c1cccs1 ZINC000032108134 171700163 /nfs/dbraw/zinc/70/01/63/171700163.db2.gz LTWOZDYSFKNKLJ-NSHDSACASA-N 0 0 253.754 3.547 10 0 CHAERN Cc1ccc(N)cc1OCc1c(F)cccc1Cl ZINC000032114290 171707864 /nfs/dbraw/zinc/70/78/64/171707864.db2.gz ZNSYSKLKVKCECV-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Brc1c2cccnc2[nH]c1-c1ccccc1 ZINC000032269588 171723451 /nfs/dbraw/zinc/72/34/51/171723451.db2.gz KYLJPBQLIUSPIM-UHFFFAOYSA-N 0 0 273.133 3.992 10 0 CHAERN CCCCN(CCCC)[C@@H]1OC(=O)c2ccccc21 ZINC000033374230 171787498 /nfs/dbraw/zinc/78/74/98/171787498.db2.gz AWRPIBMTXCXNRN-OAHLLOKOSA-N 0 0 261.365 3.758 10 0 CHAERN CC(C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000033605128 171814465 /nfs/dbraw/zinc/81/44/65/171814465.db2.gz XHHBHDZZDQFOBK-QMMMGPOBSA-N 0 0 277.147 3.712 10 0 CHAERN Nc1cc2ccccc2cc1C(=O)c1cccs1 ZINC000034147735 171832834 /nfs/dbraw/zinc/83/28/34/171832834.db2.gz PZLHBQCSTLDDSZ-UHFFFAOYSA-N 0 0 253.326 3.715 10 0 CHAERN CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F ZINC000034220093 171834990 /nfs/dbraw/zinc/83/49/90/171834990.db2.gz VVECGOCJFKTUAX-UHFFFAOYSA-N 0 0 274.320 3.850 10 0 fda CHAERN C[C@@](O)(c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000034399084 171838595 /nfs/dbraw/zinc/83/85/95/171838595.db2.gz PZFVDFSXLOSQDX-CQSZACIVSA-N 0 0 266.262 3.961 10 0 CHAERN Oc1cccc(-c2noc(-c3ccc(F)cc3Cl)n2)c1 ZINC000034956245 171901803 /nfs/dbraw/zinc/90/18/03/171901803.db2.gz SLCRDCXJMDQFLN-UHFFFAOYSA-N 0 0 290.681 3.902 10 0 CHAERN CC(C)CS[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000034958007 171904048 /nfs/dbraw/zinc/90/40/48/171904048.db2.gz YDFAYPJECSNBQG-VIFPVBQESA-N 0 0 286.828 3.638 10 0 CHAERN NC(=S)c1ccnc(Oc2ccc(C(F)(F)F)cc2)c1 ZINC000034973286 171909154 /nfs/dbraw/zinc/90/91/54/171909154.db2.gz LBGQHDPDXQYDNN-UHFFFAOYSA-N 0 0 298.289 3.527 10 0 CHAERN COc1ccccc1Nc1ncc(Br)s1 ZINC000034987513 171914475 /nfs/dbraw/zinc/91/44/75/171914475.db2.gz MQHOTEGHHUEJKK-UHFFFAOYSA-N 0 0 285.166 3.658 10 0 CHAERN C[C@@H]1C[C@H](C)CN(CC(=O)c2ccccc2Cl)C1 ZINC000034989298 171915535 /nfs/dbraw/zinc/91/55/35/171915535.db2.gz PRFQZLDYERBCQJ-TXEJJXNPSA-N 0 0 265.784 3.501 10 0 CHAERN CN(CC(=O)c1ccccc1Cl)c1ccccc1 ZINC000035020765 171939198 /nfs/dbraw/zinc/93/91/98/171939198.db2.gz DCZMTGJRFBYYEL-UHFFFAOYSA-N 0 0 259.736 3.659 10 0 CHAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)c1ccc(F)cc1F ZINC000035047009 171950691 /nfs/dbraw/zinc/95/06/91/171950691.db2.gz FPFXTLKLWXQHTD-QMMMGPOBSA-N 0 0 298.235 3.893 10 0 CHAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)c1ccc(F)cc1F ZINC000035047010 171950994 /nfs/dbraw/zinc/95/09/94/171950994.db2.gz FPFXTLKLWXQHTD-MRVPVSSYSA-N 0 0 298.235 3.893 10 0 CHAERN NC(=O)c1ccc(N[C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000035054656 171956728 /nfs/dbraw/zinc/95/67/28/171956728.db2.gz BLMGJAGQNAWPSM-BJJXKVORSA-N 0 0 272.392 3.556 10 0 CHAERN Cc1ccccc1Oc1ccc2scnc2c1N ZINC000035060880 171962257 /nfs/dbraw/zinc/96/22/57/171962257.db2.gz NRCITAHUWMWRRI-UHFFFAOYSA-N 0 0 256.330 3.979 10 0 CHAERN Cc1ccc(NCC(=O)Nc2ccc3cnccc3c2)cc1 ZINC000035088470 171973500 /nfs/dbraw/zinc/97/35/00/171973500.db2.gz BFPGEHMUXVHXEF-UHFFFAOYSA-N 0 0 291.354 3.594 10 0 CHAERN Cc1ccccc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134578 172001175 /nfs/dbraw/zinc/00/11/75/172001175.db2.gz HRDITDRGPVCQNL-UHFFFAOYSA-N 0 0 250.301 3.729 10 0 CHAERN CCc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134635 172001793 /nfs/dbraw/zinc/00/17/93/172001793.db2.gz BHVCMUCXBDWYIN-UHFFFAOYSA-N 0 0 264.328 3.983 10 0 CHAERN FC(F)(F)c1ccc(NC[C@H]2CCCCO2)cc1 ZINC000035150775 172013641 /nfs/dbraw/zinc/01/36/41/172013641.db2.gz JYOHAMGBWCPTFE-GFCCVEGCSA-N 0 0 259.271 3.686 10 0 CHAERN Cn1cccc1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000035182100 172035414 /nfs/dbraw/zinc/03/54/14/172035414.db2.gz KUFTXXYKGDNLCQ-UHFFFAOYSA-N 0 0 271.360 3.584 10 0 CHAERN CC[C@H](C)SCC(=O)c1cc(C)n(CC)c1C ZINC000035182548 172035916 /nfs/dbraw/zinc/03/59/16/172035916.db2.gz LCNNBLRWDQMBLT-NSHDSACASA-N 0 0 253.411 3.839 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccccc2)cc1C ZINC000035182313 172036096 /nfs/dbraw/zinc/03/60/96/172036096.db2.gz PJFZMRVZRCRSNE-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN C[C@H](SCc1ccco1)C(=O)c1ccc(F)cc1 ZINC000035183441 172036692 /nfs/dbraw/zinc/03/66/92/172036692.db2.gz IOVHLEZXVJAIKY-JTQLQIEISA-N 0 0 264.321 3.923 10 0 CHAERN O=C(COc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000035183871 172037569 /nfs/dbraw/zinc/03/75/69/172037569.db2.gz UAISMUMGBQNZQN-UHFFFAOYSA-N 0 0 270.259 3.834 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)c(C)c1 ZINC000035199499 172044531 /nfs/dbraw/zinc/04/45/31/172044531.db2.gz RBNFETUMPGIORA-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN O=Cc1c(OCC(F)(F)F)ccc2ccccc21 ZINC000035200039 172045093 /nfs/dbraw/zinc/04/50/93/172045093.db2.gz POHUNBUVDMXFEN-UHFFFAOYSA-N 0 0 254.207 3.593 10 0 CHAERN C[C@@H]1C[C@H](C)CN(c2n[nH]c(=S)n2C2CCCCC2)C1 ZINC000035222131 172064956 /nfs/dbraw/zinc/06/49/56/172064956.db2.gz JQEGTETWLXYOEW-TXEJJXNPSA-N 0 0 294.468 3.928 10 0 CHAERN Cc1ccc(NC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000035282670 172101235 /nfs/dbraw/zinc/10/12/35/172101235.db2.gz IBFYRZMRFGQDJA-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN Cc1ccc(NC(=O)Nc2ccc(C)c(N)c2)cc1 ZINC000035282672 172101358 /nfs/dbraw/zinc/10/13/58/172101358.db2.gz NTKDHPKIURBJKF-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cc1cccc(OCc2ccc(Br)cc2)c1N ZINC000035283618 172101858 /nfs/dbraw/zinc/10/18/58/172101858.db2.gz YTOPTWQIZWBCAH-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Cc1cccc(Oc2ccc(Br)cn2)c1N ZINC000035283693 172102225 /nfs/dbraw/zinc/10/22/25/172102225.db2.gz ZFYPQCTVEMHNET-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN Cc1cccc(OCc2cccc(Br)c2)c1N ZINC000035283629 172102291 /nfs/dbraw/zinc/10/22/91/172102291.db2.gz QYRIMEPENINFAM-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Nc1ccc(F)cc1COc1cccc(Br)c1 ZINC000035308726 172121653 /nfs/dbraw/zinc/12/16/53/172121653.db2.gz CIEBRXIGCIYLNG-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Cc1cc(C)c(C)c([C@H]([NH3+])CCCCC(=O)[O-])c1C ZINC000035324182 172126132 /nfs/dbraw/zinc/12/61/32/172126132.db2.gz YABVMFAXEZJTMK-CQSZACIVSA-N 0 0 263.381 3.565 10 0 CHAERN Cc1cc(C(=O)c2ccc(OC(C)C)cc2)c(C)o1 ZINC000035369226 172160783 /nfs/dbraw/zinc/16/07/83/172160783.db2.gz OYSMZZXHBFFTRC-UHFFFAOYSA-N 0 0 258.317 3.915 10 0 CHAERN O=C(c1ccc(Br)o1)c1c[nH]c2ccccc21 ZINC000035369150 172160915 /nfs/dbraw/zinc/16/09/15/172160915.db2.gz MWGHVUCKCCUPJF-UHFFFAOYSA-N 0 0 290.116 3.754 10 0 CHAERN Cc1cc(C(=O)c2cn(C)c3ccccc23)c(C)o1 ZINC000035369454 172161045 /nfs/dbraw/zinc/16/10/45/172161045.db2.gz NOMAPXSEKFVRMC-UHFFFAOYSA-N 0 0 253.301 3.619 10 0 CHAERN COc1ccc2[nH]cc(C(=O)c3ccc(C)s3)c2c1 ZINC000035369518 172161361 /nfs/dbraw/zinc/16/13/61/172161361.db2.gz AJGBIBBEPHHOSM-UHFFFAOYSA-N 0 0 271.341 3.777 10 0 CHAERN O=C(c1ccoc1)c1c[nH]c2ccc(Br)cc21 ZINC000035369505 172161511 /nfs/dbraw/zinc/16/15/11/172161511.db2.gz HZVFKLZZDRGKHR-UHFFFAOYSA-N 0 0 290.116 3.754 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)c(F)c2)cc1F ZINC000035423994 172192464 /nfs/dbraw/zinc/19/24/64/172192464.db2.gz HTMNLUIGXPAEGS-UHFFFAOYSA-N 0 0 262.255 3.513 10 0 CHAERN CN[C@H](c1ccc(Cl)s1)C(F)(F)C(F)(F)F ZINC000035497983 172231529 /nfs/dbraw/zinc/23/15/29/172231529.db2.gz LKGZDIHXRZIKEW-ZCFIWIBFSA-N 0 0 279.661 3.860 10 0 CHAERN Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000035576634 172272685 /nfs/dbraw/zinc/27/26/85/172272685.db2.gz JXSJVGSSFFYNGR-HNNXBMFYSA-N 0 0 274.726 3.918 10 0 CHAERN CCCN[C@@H](c1ccco1)c1cc(F)ccc1F ZINC000035580026 172275671 /nfs/dbraw/zinc/27/56/71/172275671.db2.gz VJJHZZPFQFTQBG-CQSZACIVSA-N 0 0 251.276 3.647 10 0 CHAERN CC[C@H]([NH2+]CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000035625530 172305126 /nfs/dbraw/zinc/30/51/26/172305126.db2.gz APTMZQXMIRPJSZ-NSHDSACASA-N 0 0 276.163 3.509 10 0 CHAERN C[C@@H](O)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000035626278 172305588 /nfs/dbraw/zinc/30/55/88/172305588.db2.gz IKBVZDTVGHNGDR-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN Cc1cc2ncn(-c3ccc(F)cc3[C@@H](C)O)c2cc1C ZINC000035631824 172313459 /nfs/dbraw/zinc/31/34/59/172313459.db2.gz LJIMHBHKDYZYOW-GFCCVEGCSA-N 0 0 284.334 3.835 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N1CCc2ccccc21 ZINC000035631346 172313748 /nfs/dbraw/zinc/31/37/48/172313748.db2.gz HJRQMKUCPCXJPL-LLVKDONJSA-N 0 0 257.308 3.573 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035631867 172313847 /nfs/dbraw/zinc/31/38/47/172313847.db2.gz CVFUCVCLQMALRG-SNVBAGLBSA-N 0 0 289.306 3.630 10 0 CHAERN CCOc1ccccc1OCc1cccc(N)c1C ZINC000035649349 172325306 /nfs/dbraw/zinc/32/53/06/172325306.db2.gz MNEKJSNOVQAEAN-UHFFFAOYSA-N 0 0 257.333 3.555 10 0 CHAERN Cc1csc(SCc2cccc(N)c2C)n1 ZINC000035649537 172326024 /nfs/dbraw/zinc/32/60/24/172326024.db2.gz JLIYPCIJPRGNOA-UHFFFAOYSA-N 0 0 250.392 3.634 10 0 CHAERN C[C@H](O)c1ccccc1N1c2ccccc2C[C@H]1C ZINC000035650454 172326933 /nfs/dbraw/zinc/32/69/33/172326933.db2.gz LVOKKXOYAIKDAT-OLZOCXBDSA-N 0 0 253.345 3.823 10 0 CHAERN Nc1ccc(Sc2ccccc2Cl)c2nonc21 ZINC000035676007 172346557 /nfs/dbraw/zinc/34/65/57/172346557.db2.gz IDNSISKFYNXKFY-UHFFFAOYSA-N 0 0 277.736 3.610 10 0 CHAERN CCCC[C@@H](CC)C(=O)Nc1cccc(Br)n1 ZINC000035678779 172349602 /nfs/dbraw/zinc/34/96/02/172349602.db2.gz BPNNEJRBVYUVSM-SNVBAGLBSA-N 0 0 299.212 3.999 10 0 CHAERN Cc1cc(C)nc(-n2nc(C(C)(C)C)cc2C(C)(C)C)n1 ZINC000035728265 172380430 /nfs/dbraw/zinc/38/04/30/172380430.db2.gz XFRUJIICUQLYMJ-UHFFFAOYSA-N 0 0 286.423 3.874 10 0 CHAERN Cc1ccc2sc(N[C@@H](C)[C@H]3CCCO3)nc2c1 ZINC000035736369 172389456 /nfs/dbraw/zinc/38/94/56/172389456.db2.gz WAZFZASIDQBAHZ-CMPLNLGQSA-N 0 0 262.378 3.584 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccco1)c1cc(F)ccc1F ZINC000035738808 172392426 /nfs/dbraw/zinc/39/24/26/172392426.db2.gz DOLCZTXHBZTWRN-ZJUUUORDSA-N 0 0 251.276 3.970 10 0 CHAERN C[C@H]1CC(=O)c2cccc(Br)c2S1 ZINC000035741342 172394752 /nfs/dbraw/zinc/39/47/52/172394752.db2.gz MSUBBQCNZFYPBC-LURJTMIESA-N 0 0 257.152 3.516 10 0 CHAERN COC(=O)C[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000035748048 172395759 /nfs/dbraw/zinc/39/57/59/172395759.db2.gz CGHNRRBAVJDXTO-ZETCQYMHSA-N 0 0 295.688 3.722 10 0 CHAERN CCN(c1ccc([C@@H](C)O)cc1F)C1CCCC1 ZINC000035772936 172408679 /nfs/dbraw/zinc/40/86/79/172408679.db2.gz SFXPYHWPRIVEBR-LLVKDONJSA-N 0 0 251.345 3.648 10 0 CHAERN CC(C)CC(=O)Nc1cc(-c2ccc(Cl)cc2)no1 ZINC000036079164 172434610 /nfs/dbraw/zinc/43/46/10/172434610.db2.gz ASKSQAOJVDRRAU-UHFFFAOYSA-N 0 0 278.739 3.980 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@H]1CCc1ccccc1 ZINC000036113956 172444532 /nfs/dbraw/zinc/44/45/32/172444532.db2.gz DUYCZLHCYJPSSY-LJQANCHMSA-N 0 0 279.383 3.765 10 0 CHAERN CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000036131283 172453804 /nfs/dbraw/zinc/45/38/04/172453804.db2.gz KHUJZAUOUPZKQD-KRWDZBQOSA-N 0 0 292.382 3.744 10 0 CHAERN CCCNC(=O)c1cc2cc(C)cc(C)c2nc1Cl ZINC000036174909 172495212 /nfs/dbraw/zinc/49/52/12/172495212.db2.gz CIXKZBXZLKTSEL-UHFFFAOYSA-N 0 0 276.767 3.645 10 0 CHAERN Cc1sc(N)nc1-c1ccc(Br)s1 ZINC000036175301 172495902 /nfs/dbraw/zinc/49/59/02/172495902.db2.gz WFYZLPCHXYAFRT-UHFFFAOYSA-N 0 0 275.196 3.525 10 0 CHAERN COc1ccc(C)cc1[C@H](C)Nc1c(C)n[nH]c1C ZINC000036734823 172666267 /nfs/dbraw/zinc/66/62/67/172666267.db2.gz SCYJGILKAWMVAF-JTQLQIEISA-N 0 0 259.353 3.517 10 0 CHAERN Cc1ccc(NC(=O)CCCc2cccs2)c(N)c1 ZINC000037064576 172928199 /nfs/dbraw/zinc/92/81/99/172928199.db2.gz YJWYZOQWXDORDK-UHFFFAOYSA-N 0 0 274.389 3.600 10 0 CHAERN CCC1CCC(Nc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000037129966 172974393 /nfs/dbraw/zinc/97/43/93/172974393.db2.gz GXBBUSDCXJWUJV-UHFFFAOYSA-N 0 0 260.337 3.502 10 0 CHAERN Nc1cnccc1SCC12CC3CC(CC(C3)C1)C2 ZINC000037189755 173019223 /nfs/dbraw/zinc/01/92/23/173019223.db2.gz XLUTYBBJAHGLIW-UHFFFAOYSA-N 0 0 274.433 3.972 10 0 CHAERN Cc1csc2nc(C)c(CNc3ccc(F)cc3)n12 ZINC000037210534 173032908 /nfs/dbraw/zinc/03/29/08/173032908.db2.gz WTXWNSKZGRLOLR-UHFFFAOYSA-N 0 0 275.352 3.764 10 0 CHAERN CO[C@@H]1CCCC[C@H]1Nc1ccccc1OC(F)F ZINC000037217544 173035734 /nfs/dbraw/zinc/03/57/34/173035734.db2.gz WRGDFURIQQIBIW-ZYHUDNBSSA-N 0 0 271.307 3.658 10 0 CHAERN Clc1ccc(-n2ncc3c2ncnc3Cl)c(Cl)c1 ZINC000037336809 173137988 /nfs/dbraw/zinc/13/79/88/173137988.db2.gz IBKKVBXLKKFHED-UHFFFAOYSA-N 0 0 299.548 3.776 10 0 CHAERN CCOC(=O)c1sc(-c2cc3c(s2)CCC3)cc1N ZINC000037337735 173138436 /nfs/dbraw/zinc/13/84/36/173138436.db2.gz VPBOYDOELTWZPG-UHFFFAOYSA-N 0 0 293.413 3.724 10 0 CHAERN Cc1ccccc1-n1nc(C(C)(C)C)c(CO)c1Cl ZINC000037343491 173142967 /nfs/dbraw/zinc/14/29/67/173142967.db2.gz HCRAZGOGZOCWJF-UHFFFAOYSA-N 0 0 278.783 3.624 10 0 CHAERN Cc1cc(C)cc(OCC(=O)c2ccccc2C)c1 ZINC000037347498 173144193 /nfs/dbraw/zinc/14/41/93/173144193.db2.gz LNPBURXCQKMTIF-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CCC(CC)c1[nH]nc(N)c1-c1ccccc1OC ZINC000037349164 173144223 /nfs/dbraw/zinc/14/42/23/173144223.db2.gz ZPKRZAKBUZNIEL-UHFFFAOYSA-N 0 0 259.353 3.571 10 0 CHAERN C[C@H]1CCC[C@H](OCC(=O)c2c(F)cccc2F)C1 ZINC000037350393 173144758 /nfs/dbraw/zinc/14/47/58/173144758.db2.gz WXRLLQJKKHUZAN-QWRGUYRKSA-N 0 0 268.303 3.743 10 0 CHAERN O=C(c1ccc2c(c1)CCC2)c1cc(F)ccc1F ZINC000037353982 173147038 /nfs/dbraw/zinc/14/70/38/173147038.db2.gz WVPXZZIIIASDJI-UHFFFAOYSA-N 0 0 258.267 3.685 10 0 CHAERN CCCc1ccc(C(=O)c2ccccc2OC)cc1 ZINC000037357132 173147918 /nfs/dbraw/zinc/14/79/18/173147918.db2.gz SKICPPDKBGBYCX-UHFFFAOYSA-N 0 0 254.329 3.879 10 0 CHAERN CCc1ccc(C(=O)c2ccc(OC)c(OC)c2)s1 ZINC000037360025 173150299 /nfs/dbraw/zinc/15/02/99/173150299.db2.gz IVCSCSWWDGYJCV-UHFFFAOYSA-N 0 0 276.357 3.559 10 0 CHAERN O=C([O-])[C@H](c1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000037361995 173151925 /nfs/dbraw/zinc/15/19/25/173151925.db2.gz MOSLMZKIRTZEDZ-LBPRGKRZSA-N 0 0 288.174 3.605 10 0 CHAERN CCCc1cc(Cl)nc(-c2ccc(OC)cc2)n1 ZINC000037409134 173185613 /nfs/dbraw/zinc/18/56/13/173185613.db2.gz MAKRGZUMHDWJBI-UHFFFAOYSA-N 0 0 262.740 3.758 10 0 CHAERN CC(=O)Nc1ccc(Sc2cccc(F)c2N)cc1 ZINC000037420619 173197589 /nfs/dbraw/zinc/19/75/89/173197589.db2.gz PUWLFBLCROERHO-UHFFFAOYSA-N 0 0 276.336 3.518 10 0 CHAERN Cc1ccc2c(c1)nc(-c1cc(Cl)ccc1N)n2C ZINC000037437829 173208169 /nfs/dbraw/zinc/20/81/69/173208169.db2.gz NUVNGEJFPZDOPM-UHFFFAOYSA-N 0 0 271.751 3.784 10 0 CHAERN CCn1c2cccc(F)c2nc1-c1cccc(O)c1 ZINC000037443232 173212102 /nfs/dbraw/zinc/21/21/02/173212102.db2.gz WNHINLWMCWVADV-UHFFFAOYSA-N 0 0 256.280 3.568 10 0 CHAERN c1ccc(CCCNc2nc3ccccc3[nH]2)cc1 ZINC000037493948 173233761 /nfs/dbraw/zinc/23/37/61/173233761.db2.gz KVLNHVGHLGUYSL-UHFFFAOYSA-N 0 0 251.333 3.608 10 0 CHAERN COc1cccc([C@@](C)(O)CCc2ccccc2)c1 ZINC000037531679 173253491 /nfs/dbraw/zinc/25/34/91/173253491.db2.gz MUDKYTJNAGYNAR-KRWDZBQOSA-N 0 0 256.345 3.536 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000037532319 173253696 /nfs/dbraw/zinc/25/36/96/173253696.db2.gz GKNUJABWPQBXKD-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN CCCC[C@@H](C)Nc1cccnc1-n1ccnc1C ZINC000037772522 173704458 /nfs/dbraw/zinc/70/44/58/173704458.db2.gz XJMHBIMLTBJGNH-GFCCVEGCSA-N 0 0 258.369 3.566 10 0 CHAERN COc1cc(F)c(C(=O)c2ccc(C)s2)c(F)c1 ZINC000037903153 173833911 /nfs/dbraw/zinc/83/39/11/173833911.db2.gz RMXIPBKODJAHRT-UHFFFAOYSA-N 0 0 268.284 3.574 10 0 CHAERN O=Cc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000037974077 173927939 /nfs/dbraw/zinc/92/79/39/173927939.db2.gz BPHAUFYKPDKMNK-UHFFFAOYSA-N 0 0 258.129 3.929 10 0 CHAERN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccnc(Cl)c1)C2 ZINC000037980565 173939416 /nfs/dbraw/zinc/93/94/16/173939416.db2.gz YLKYKJXDVHPYIB-MLGOLLRUSA-N 0 0 292.810 3.776 10 0 CHAERN COc1ccccc1[C@H](C)N(C)C(=O)c1ccccc1F ZINC000037983577 173944563 /nfs/dbraw/zinc/94/45/63/173944563.db2.gz BWUHVEIHYBOCQZ-LBPRGKRZSA-N 0 0 287.334 3.668 10 0 CHAERN CC(C)N(Cc1ccccc1)c1c(F)cc(N)cc1F ZINC000038039839 174039589 /nfs/dbraw/zinc/03/95/89/174039589.db2.gz XJTRKBQPMNEFHH-UHFFFAOYSA-N 0 0 276.330 3.962 10 0 CHAERN Nc1cc(F)c(NCCC2CCCCC2)c(F)c1 ZINC000038040219 174040377 /nfs/dbraw/zinc/04/03/77/174040377.db2.gz HSXWHRDRDTZFHO-UHFFFAOYSA-N 0 0 254.324 3.929 10 0 CHAERN Nc1cc(F)c(Nc2ccccc2Cl)c(F)c1 ZINC000038040006 174040446 /nfs/dbraw/zinc/04/04/46/174040446.db2.gz KDDYLHWNOVBEJE-UHFFFAOYSA-N 0 0 254.667 3.944 10 0 CHAERN Nc1cc(F)c(N2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000038040166 174040458 /nfs/dbraw/zinc/04/04/58/174040458.db2.gz HVPZBNHPUINHIE-OAHLLOKOSA-N 0 0 274.314 3.889 10 0 CHAERN Nc1cc(F)c(Nc2cc(F)cc(F)c2)c(F)c1 ZINC000038040016 174040470 /nfs/dbraw/zinc/04/04/70/174040470.db2.gz BFTSJVVAAZJNSX-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN CCCn1c(CN[C@@H](C)c2ccco2)nc2ccccc21 ZINC000038046771 174056160 /nfs/dbraw/zinc/05/61/60/174056160.db2.gz MYXRVWCJAWZSCN-ZDUSSCGKSA-N 0 0 283.375 3.890 10 0 CHAERN Cc1ccc(C(C)C)cc1Oc1cc(C(N)=S)ccn1 ZINC000038053028 174064814 /nfs/dbraw/zinc/06/48/14/174064814.db2.gz XCYGSLZJIPQZQT-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN Cc1cccc(C(=O)c2ccc3c(c2)CCCO3)c1 ZINC000038057557 174068138 /nfs/dbraw/zinc/06/81/38/174068138.db2.gz RCCZWHWGVLMZTH-UHFFFAOYSA-N 0 0 252.313 3.551 10 0 CHAERN CC[C@@H](C)N[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000038067326 174079451 /nfs/dbraw/zinc/07/94/51/174079451.db2.gz LWFCIOARYYREPS-PRHODGIISA-N 0 0 290.190 3.596 10 0 CHAERN O=Cc1cc(-c2cnc3ccccc3c2)ccc1F ZINC000038069554 174081011 /nfs/dbraw/zinc/08/10/11/174081011.db2.gz ZRMVBGMEMQUPOL-UHFFFAOYSA-N 0 0 251.260 3.853 10 0 CHAERN COc1ccc(-c2ccc(F)c(C=O)c2)cc1Cl ZINC000038071883 174082566 /nfs/dbraw/zinc/08/25/66/174082566.db2.gz GFXFWZVURLMQQP-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN O=Cc1ccc(F)c(-c2ccc3c(c2)CCCO3)c1 ZINC000038071986 174082614 /nfs/dbraw/zinc/08/26/14/174082614.db2.gz KJDUNYXNGRXMOO-UHFFFAOYSA-N 0 0 256.276 3.630 10 0 CHAERN Nc1cc(Cl)ccc1Oc1nc2ccccc2o1 ZINC000038074667 174084836 /nfs/dbraw/zinc/08/48/36/174084836.db2.gz OANPNHLYPGEOND-UHFFFAOYSA-N 0 0 260.680 3.856 10 0 CHAERN O[C@]1(c2ccccc2Cl)CCc2ccccc2C1 ZINC000038078289 174087900 /nfs/dbraw/zinc/08/79/00/174087900.db2.gz KBSODNWPBHUOLR-MRXNPFEDSA-N 0 0 258.748 3.717 10 0 CHAERN CCc1ccc(Oc2nc(Cl)c(C(=O)OC)s2)cc1 ZINC000038082259 174091159 /nfs/dbraw/zinc/09/11/59/174091159.db2.gz YWZINYFCHOWDIP-UHFFFAOYSA-N 0 0 297.763 3.938 10 0 CHAERN Cc1csc(CN[C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038091137 174105114 /nfs/dbraw/zinc/10/51/14/174105114.db2.gz QGENJHZTUWZHPO-HNNXBMFYSA-N 0 0 276.380 3.832 10 0 CHAERN O=C(C[C@H]1C(=O)CCc2ccccc21)c1ccccc1 ZINC000039194497 174164983 /nfs/dbraw/zinc/16/49/83/174164983.db2.gz CTMLFTIHVVMDFE-MRXNPFEDSA-N 0 0 264.324 3.559 10 0 CHAERN Nc1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1 ZINC000039947677 174176605 /nfs/dbraw/zinc/17/66/05/174176605.db2.gz BEGXHTDHZXMSRQ-UHFFFAOYSA-N 0 0 286.338 3.646 10 0 CHAERN CC(C)c1nc2ccccc2n1CC(=O)N1CCCCCC1 ZINC000040231391 174209907 /nfs/dbraw/zinc/20/99/07/174209907.db2.gz NESYJSXWSKRALW-UHFFFAOYSA-N 0 0 299.418 3.562 10 0 CHAERN O[C@H](c1ccc2c(c1)CCCC2)c1ccccc1F ZINC000040242496 174213513 /nfs/dbraw/zinc/21/35/13/174213513.db2.gz GLIRJJDLGRVCBR-QGZVFWFLSA-N 0 0 256.320 3.786 10 0 CHAERN O[C@@H](c1ccc2c(c1)CCCC2)c1ccccc1F ZINC000040242497 174213816 /nfs/dbraw/zinc/21/38/16/174213816.db2.gz GLIRJJDLGRVCBR-KRWDZBQOSA-N 0 0 256.320 3.786 10 0 CHAERN COc1ccc([C@H](O)c2c(F)cccc2Cl)cc1 ZINC000040244167 174214353 /nfs/dbraw/zinc/21/43/53/174214353.db2.gz BHJIUMAQBYZBQX-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN CCCC[C@@H](O)c1ccc(OCC)c(OCC)c1 ZINC000040248172 174215699 /nfs/dbraw/zinc/21/56/99/174215699.db2.gz ODTGCERESVMRFL-CYBMUJFWSA-N 0 0 252.354 3.708 10 0 CHAERN Cc1ccc(C)c(Cn2c3cc(C)c(C)cc3nc2CO)c1 ZINC000040308829 174229473 /nfs/dbraw/zinc/22/94/73/174229473.db2.gz IGRJTJREYVCKOG-UHFFFAOYSA-N 0 0 294.398 3.811 10 0 CHAERN CCCCCCn1c2cc(C)c(C)cc2nc1CO ZINC000040308811 174229548 /nfs/dbraw/zinc/22/95/48/174229548.db2.gz VBWJGRCMGYFATG-UHFFFAOYSA-N 0 0 260.381 3.726 10 0 CHAERN Cc1nc2cc(C(=O)Nc3cc(C)ccc3C)ccc2[nH]1 ZINC000040311860 174231318 /nfs/dbraw/zinc/23/13/18/174231318.db2.gz PHIREIWGVKAASR-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN Cc1c(Cl)ccc2c(NC(=O)c3ccccn3)ccnc12 ZINC000040359217 174246143 /nfs/dbraw/zinc/24/61/43/174246143.db2.gz JKTQNKXNPGKKAQ-UHFFFAOYSA-N 0 0 297.745 3.844 10 0 CHAERN CSc1ccc(-c2noc(-c3cccc(N)c3)n2)cc1 ZINC000040541754 174322919 /nfs/dbraw/zinc/32/29/19/174322919.db2.gz CRPGDNIOKUTFEY-UHFFFAOYSA-N 0 0 283.356 3.708 10 0 CHAERN Nc1c(Cl)ncnc1Nc1cccc(Cl)c1Cl ZINC000040571888 174338852 /nfs/dbraw/zinc/33/88/52/174338852.db2.gz KJLUOPSYIKQLHB-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN Cc1cc(Oc2ncnc(Cl)c2N)cc(C)c1Cl ZINC000040572067 174338953 /nfs/dbraw/zinc/33/89/53/174338953.db2.gz DQAJBUTUHBVEAM-UHFFFAOYSA-N 0 0 284.146 3.775 10 0 CHAERN Nc1c(Cl)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040571950 174339025 /nfs/dbraw/zinc/33/90/25/174339025.db2.gz XRVNQPUYIUIUSD-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2N)cc1C ZINC000040703031 174379085 /nfs/dbraw/zinc/37/90/85/174379085.db2.gz FAYSPOWCPYFQSU-UHFFFAOYSA-N 0 0 297.406 3.774 10 0 CHAERN CC(C)Nc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040708117 174380375 /nfs/dbraw/zinc/38/03/75/174380375.db2.gz ONVNTKGNEFIBGG-UHFFFAOYSA-N 0 0 293.374 3.776 10 0 CHAERN Cc1ccc(C[C@H](CO)Cc2cccc(C)c2)cc1 ZINC000041324618 174521357 /nfs/dbraw/zinc/52/13/57/174521357.db2.gz IXAMQLUCYTUHHB-SFHVURJKSA-N 0 0 254.373 3.697 10 0 CHAERN Nc1cccc(OCCc2ccc(Br)cc2)c1 ZINC000041481547 174559831 /nfs/dbraw/zinc/55/98/31/174559831.db2.gz IKLHUADFTWVABB-UHFFFAOYSA-N 0 0 292.176 3.653 10 0 CHAERN CC(C)N(Cc1ccccc1)C(=O)C(C)(C)Br ZINC000041716522 174615445 /nfs/dbraw/zinc/61/54/45/174615445.db2.gz YWSKTIDIGJGURE-UHFFFAOYSA-N 0 0 298.224 3.597 10 0 CHAERN Nc1ccc2c(c1)CN(c1ccc(Cl)cc1F)C2 ZINC000042592857 174812759 /nfs/dbraw/zinc/81/27/59/174812759.db2.gz HPQVGNJSCDZPBR-UHFFFAOYSA-N 0 0 262.715 3.582 10 0 CHAERN Cc1ccsc1[C@@H](O)c1ccccc1OC(F)F ZINC000042731041 174859224 /nfs/dbraw/zinc/85/92/24/174859224.db2.gz DBJTVRBBBOCSSQ-NSHDSACASA-N 0 0 270.300 3.740 10 0 CHAERN COc1ccc(Cl)cc1[C@H](O)c1sccc1C ZINC000042731306 174859318 /nfs/dbraw/zinc/85/93/18/174859318.db2.gz DOFFAWCZMOKYLD-LBPRGKRZSA-N 0 0 268.765 3.800 10 0 CHAERN C[C@H](N(C)c1ccc2scnc2c1N)C(C)(C)C ZINC000042739571 174861352 /nfs/dbraw/zinc/86/13/52/174861352.db2.gz HIEKDTLOQXRXQJ-VIFPVBQESA-N 0 0 263.410 3.749 10 0 CHAERN CC(C)N(CC(F)(F)F)[C@@H](C)C(=O)c1ccccc1 ZINC000042741391 174862681 /nfs/dbraw/zinc/86/26/81/174862681.db2.gz FZNMDWROMVONQU-NSHDSACASA-N 0 0 273.298 3.531 10 0 CHAERN CC/C(=C\c1ccc2cc(OC)ccc2c1)[N+](=O)[O-] ZINC000042905949 174907625 /nfs/dbraw/zinc/90/76/25/174907625.db2.gz ZOVGXDLEACIRIJ-NTEUORMPSA-N 0 0 257.289 3.876 10 0 CHAERN CC[C@@H](NC(=O)C(C)C)c1ccc(Br)cc1 ZINC000043007955 174940893 /nfs/dbraw/zinc/94/08/93/174940893.db2.gz UOZHDMNHUQJEJG-GFCCVEGCSA-N 0 0 284.197 3.672 10 0 CHAERN CC(C)(C)C(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000043651804 175085571 /nfs/dbraw/zinc/08/55/71/175085571.db2.gz LZAOMFQNAWJGIW-KBPBESRZSA-N 0 0 258.361 3.755 10 0 CHAERN O[C@H]1c2ccccc2C[C@@H]1CCCc1ccccc1 ZINC000043659376 175085726 /nfs/dbraw/zinc/08/57/26/175085726.db2.gz DNGBDWCAKAQUEU-FUHWJXTLSA-N 0 0 252.357 3.915 10 0 CHAERN O[C@H]1c2ccccc2CC[C@H]1Cc1cccc(F)c1 ZINC000043659557 175085903 /nfs/dbraw/zinc/08/59/03/175085903.db2.gz RFXUSPQZOHVGEL-WMLDXEAASA-N 0 0 256.320 3.664 10 0 CHAERN Cc1nn([C@@H](C)c2ccccc2Cl)c(N)c1Cl ZINC000043667682 175086815 /nfs/dbraw/zinc/08/68/15/175086815.db2.gz YCJZUSQMQVFADS-QMMMGPOBSA-N 0 0 270.163 3.690 10 0 CHAERN Brc1csc(COC[C@H]2CCCCO2)c1 ZINC000043687571 175094893 /nfs/dbraw/zinc/09/48/93/175094893.db2.gz OMMIQIJMQDUCMP-SNVBAGLBSA-N 0 0 291.210 3.596 10 0 CHAERN CCCCCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000043826642 175114685 /nfs/dbraw/zinc/11/46/85/175114685.db2.gz ILQFGASTRYEGPJ-WDEREUQCSA-N 0 0 265.319 3.804 10 0 CHAERN Brc1cnc(OC2CCCCC2)s1 ZINC000044117020 175142267 /nfs/dbraw/zinc/14/22/67/175142267.db2.gz LIKAFJWMZPERNG-UHFFFAOYSA-N 0 0 262.172 3.617 10 0 CHAERN Cc1cccc(-c2ncc(Br)s2)c1 ZINC000044119762 175142876 /nfs/dbraw/zinc/14/28/76/175142876.db2.gz QXKMCBUMUITJMZ-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN CCc1ccc([C@@H](O)CN2c3ccccc3C[C@@H]2C)cc1 ZINC000044123286 175143109 /nfs/dbraw/zinc/14/31/09/175143109.db2.gz PVGPKFKHWYHEHL-LIRRHRJNSA-N 0 0 281.399 3.734 10 0 CHAERN Oc1ccc(Nc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000045902949 175386311 /nfs/dbraw/zinc/38/63/11/175386311.db2.gz MSFGYYRPEPXDEP-UHFFFAOYSA-N 0 0 259.696 3.666 10 0 CHAERN COCCC[C@H](O)C1(c2ccccc2)CCCCC1 ZINC000062782674 175673986 /nfs/dbraw/zinc/67/39/86/175673986.db2.gz GTCOKWQRVQWPFP-INIZCTEOSA-N 0 0 262.393 3.676 10 0 CHAERN Oc1cccc2c3cc(Br)ccc3[nH]c21 ZINC000064573658 175696215 /nfs/dbraw/zinc/69/62/15/175696215.db2.gz BBYKBBHESBKWGS-UHFFFAOYSA-N 0 0 262.106 3.789 10 0 CHAERN CC(=O)c1csc(Cc2cccc(Cl)c2)n1 ZINC000070848649 176008653 /nfs/dbraw/zinc/00/86/53/176008653.db2.gz KHXHBTZASNEANL-UHFFFAOYSA-N 0 0 251.738 3.590 10 0 CHAERN CC(C)(C)c1cccc2c(=O)c3c([nH]c21)CCCC3 ZINC000071174878 176054066 /nfs/dbraw/zinc/05/40/66/176054066.db2.gz BEQYVAPUSKFJTH-UHFFFAOYSA-N 0 0 255.361 3.704 10 0 CHAERN Cc1cc(C)c([C@H](C)Nc2cnccc2C)c(C)n1 ZINC000071413818 176158939 /nfs/dbraw/zinc/15/89/39/176158939.db2.gz RYQNWGDEWMLHIY-AWEZNQCLSA-N 0 0 255.365 3.883 10 0 CHAERN CCCc1cc(Cl)n2nc(C(C)(C)C)cc2n1 ZINC000071466688 176182951 /nfs/dbraw/zinc/18/29/51/176182951.db2.gz NEKZIBKDCDMYAS-UHFFFAOYSA-N 0 0 251.761 3.633 10 0 CHAERN Oc1c(Br)ccc2c(Cl)cccc12 ZINC000071477583 176187541 /nfs/dbraw/zinc/18/75/41/176187541.db2.gz YPCRTEIDNXMLKE-UHFFFAOYSA-N 0 0 257.514 3.961 10 0 CHAERN CCCOc1ccc(-c2csc(C(C)=O)n2)cc1 ZINC000071587625 176215238 /nfs/dbraw/zinc/21/52/38/176215238.db2.gz GBBPRGOCTFUTII-UHFFFAOYSA-N 0 0 261.346 3.802 10 0 CHAERN C[C@@H](NC(=O)C1CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000071861990 176280162 /nfs/dbraw/zinc/28/01/62/176280162.db2.gz RGRBLNNKSRVYBU-CYBMUJFWSA-N 0 0 289.419 3.588 10 0 CHAERN Oc1c(F)c(Br)ccc1OCc1ccccc1 ZINC000072190253 176335563 /nfs/dbraw/zinc/33/55/63/176335563.db2.gz HHEIKLLCENKURQ-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN Clc1ccccc1-c1ncc(Br)cn1 ZINC000072192007 176336150 /nfs/dbraw/zinc/33/61/50/176336150.db2.gz XYSUDXHOSAXDIX-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Clc1cccc(-c2ncc(Br)cn2)c1 ZINC000072192008 176336318 /nfs/dbraw/zinc/33/63/18/176336318.db2.gz VNJLZZCOOPIVCZ-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1cc(F)ccc1-c1nc(Cl)cc(Cl)n1 ZINC000072193246 176336751 /nfs/dbraw/zinc/33/67/51/176336751.db2.gz PMWHINDEZGZCFU-UHFFFAOYSA-N 0 0 257.095 3.898 10 0 CHAERN CCN(CC)c1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260781 176351506 /nfs/dbraw/zinc/35/15/06/176351506.db2.gz WXUBFNJDWYVDFM-UHFFFAOYSA-N 0 0 298.415 3.908 10 0 CHAERN CCc1nn2c3c(cnc2c1-c1ccc(F)cc1)CCC3 ZINC000072451922 176405019 /nfs/dbraw/zinc/40/50/19/176405019.db2.gz GCKZMQJPBOFOLC-UHFFFAOYSA-N 0 0 281.334 3.587 10 0 CHAERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1ccccc1 ZINC000073654794 176483398 /nfs/dbraw/zinc/48/33/98/176483398.db2.gz DCZVOOVPKQECMV-ZFWWWQNUSA-N 0 0 290.407 3.744 10 0 CHAERN Cc1ccc(CCc2nc3c(cccc3N)o2)cc1 ZINC000074413127 176542839 /nfs/dbraw/zinc/54/28/39/176542839.db2.gz GKVRVLKISFLULL-UHFFFAOYSA-N 0 0 252.317 3.504 10 0 CHAERN CNc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000075907466 176821832 /nfs/dbraw/zinc/82/18/32/176821832.db2.gz HNDJGQYUVPZUNO-UHFFFAOYSA-N 0 0 290.407 3.843 10 0 CHAERN CN(c1ncc(Br)s1)c1ccccc1 ZINC000076401945 177017376 /nfs/dbraw/zinc/01/73/76/177017376.db2.gz YDBLIVMVKOHWKH-UHFFFAOYSA-N 0 0 269.167 3.674 10 0 CHAERN C[C@H]1CCC[C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000336501130 227074737 /nfs/dbraw/zinc/07/47/37/227074737.db2.gz IXDXYJBWFBHBJA-GXTWGEPZSA-N 0 0 292.448 3.675 10 0 CHAERN Cc1nnc(N[C@H]2CC[C@H](C)c3ccccc32)nc1C ZINC000330057852 228028263 /nfs/dbraw/zinc/02/82/63/228028263.db2.gz YDDYCNONFAENJM-BONVTDFDSA-N 0 0 268.364 3.539 10 0 CHAERN C[C@@H]1CC(=O)CC[C@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000333062619 228189212 /nfs/dbraw/zinc/18/92/12/228189212.db2.gz FANRNUWROKDHAM-ZWNOBZJWSA-N 0 0 276.380 3.620 10 0 CHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@H]2CCC[C@H]21 ZINC000333348510 228198056 /nfs/dbraw/zinc/19/80/56/228198056.db2.gz RBPNVRCAEKAFLI-BXUZGUMPSA-N 0 0 297.358 3.721 10 0 CHAERN C[C@H](NCc1nc(Cc2ccccc2)no1)c1cccs1 ZINC000036901001 260050029 /nfs/dbraw/zinc/05/00/29/260050029.db2.gz KBEGLODMKDFWPC-LBPRGKRZSA-N 0 0 299.399 3.573 10 0 CHAERN CCOC(=O)[C@H](C)c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000312460623 260050460 /nfs/dbraw/zinc/05/04/60/260050460.db2.gz YMUWLLUTTMRNDO-MRVPVSSYSA-N 0 0 297.326 3.755 10 0 CHAERN CCCCOC[C@@H](O)CSCc1ccccc1Cl ZINC000227909963 260051668 /nfs/dbraw/zinc/05/16/68/260051668.db2.gz YWPJAKLCCQJKKT-CYBMUJFWSA-N 0 0 288.840 3.751 10 0 CHAERN c1cnn(-c2ccc(N[C@H]3CCc4ccccc43)cc2)c1 ZINC000036977945 260059759 /nfs/dbraw/zinc/05/97/59/260059759.db2.gz KBISCPBKJUXWCW-SFHVURJKSA-N 0 0 275.355 3.972 10 0 CHAERN CC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCCC1 ZINC000180490873 260103913 /nfs/dbraw/zinc/10/39/13/260103913.db2.gz WCOVDDSARIBVNN-LSDHHAIUSA-N 0 0 279.424 3.517 10 0 CHAERN CC(C)N(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1CCOCC1 ZINC000180693042 260108811 /nfs/dbraw/zinc/10/88/11/260108811.db2.gz WSPLVKKAXKVGRD-CABCVRRESA-N 0 0 295.467 3.865 10 0 CHAERN Cc1sc2nc(C)nc(N[C@H](C)[C@@H]3CCCO3)c2c1C ZINC000312552099 260147982 /nfs/dbraw/zinc/14/79/82/260147982.db2.gz XMHWANYGWNNWBS-SKDRFNHKSA-N 0 0 291.420 3.596 10 0 CHAERN CC(C)[C@@H]1C[C@H](Nc2cccc(-c3cnco3)c2)CCO1 ZINC000070358240 260156679 /nfs/dbraw/zinc/15/66/79/260156679.db2.gz YSASDJNAGGEUAA-CVEARBPZSA-N 0 0 286.375 3.957 10 0 CHAERN COc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1OC ZINC000080265829 260179299 /nfs/dbraw/zinc/17/92/99/260179299.db2.gz WMYWSSRZRMRNLS-WDEREUQCSA-N 0 0 292.404 3.572 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000049750479 260205274 /nfs/dbraw/zinc/20/52/74/260205274.db2.gz NNOSRYMVWPBJPA-UHFFFAOYSA-N 0 0 283.371 3.903 10 0 CHAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1nccs1 ZINC000086510016 260208302 /nfs/dbraw/zinc/20/83/02/260208302.db2.gz XQUYENBJNBNQOJ-JTQLQIEISA-N 0 0 271.345 3.971 10 0 CHAERN CCCn1ccc(CNc2cc(F)c(F)c(F)c2)c1 ZINC000091013343 260264764 /nfs/dbraw/zinc/26/47/64/260264764.db2.gz ALLLZAYEVDVNRO-UHFFFAOYSA-N 0 0 268.282 3.928 10 0 CHAERN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195737 260267641 /nfs/dbraw/zinc/26/76/41/260267641.db2.gz RQNRBADSLSLEQT-UWVGGRQHSA-N 0 0 280.293 3.911 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195738 260267971 /nfs/dbraw/zinc/26/79/71/260267971.db2.gz RQNRBADSLSLEQT-ZJUUUORDSA-N 0 0 280.293 3.911 10 0 CHAERN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(Cl)c1 ZINC000085631132 260376866 /nfs/dbraw/zinc/37/68/66/260376866.db2.gz STXMREHJWCJCRF-GDLCADMTSA-N 0 0 265.784 3.874 10 0 CHAERN CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000041637624 260608141 /nfs/dbraw/zinc/60/81/41/260608141.db2.gz LBADFSFRBPWYJL-NSHDSACASA-N 0 0 286.331 3.673 10 0 CHAERN Cc1ccc(CC(=O)Nc2cc(Cl)ccc2O)s1 ZINC000101652439 260959725 /nfs/dbraw/zinc/95/97/25/260959725.db2.gz BRAIOLRCGMTWPX-UHFFFAOYSA-N 0 0 281.764 3.597 10 0 CHAERN CC1(C)C[C@@H](NC(=O)Nc2ccccn2)c2ccccc2O1 ZINC000152093303 261059586 /nfs/dbraw/zinc/05/95/86/261059586.db2.gz KLQOGTXAOGJXTQ-CYBMUJFWSA-N 0 0 297.358 3.506 10 0 CHAERN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152700668 261068344 /nfs/dbraw/zinc/06/83/44/261068344.db2.gz JKWVNZPYQOKMKB-KBRIMQKVSA-N 0 0 286.419 3.817 10 0 CHAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)c1ccccc1C ZINC000153277752 261075907 /nfs/dbraw/zinc/07/59/07/261075907.db2.gz DFEUDEVTYOLVGU-OLZOCXBDSA-N 0 0 299.418 3.706 10 0 CHAERN CC(C)c1nnc(N[C@H](C)c2cccc(O)c2)s1 ZINC000153408911 261077677 /nfs/dbraw/zinc/07/76/77/261077677.db2.gz APEJMAICBXLMBD-SECBINFHSA-N 0 0 263.366 3.540 10 0 CHAERN CCn1ccnc1CSCCCOc1ccccc1C ZINC000175294838 261216993 /nfs/dbraw/zinc/21/69/93/261216993.db2.gz TTYGRXSHOLWKGX-UHFFFAOYSA-N 0 0 290.432 3.914 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2c2sccc2C)o1 ZINC000161535012 261250299 /nfs/dbraw/zinc/25/02/99/261250299.db2.gz WCFXYZXNAMSGKV-XQQFMLRXSA-N 0 0 289.400 3.939 10 0 CHAERN CCc1cccc(C)c1NCc1nc(-c2ccoc2)no1 ZINC000105606597 261311823 /nfs/dbraw/zinc/31/18/23/261311823.db2.gz DXLPRIFDMOLBJF-UHFFFAOYSA-N 0 0 283.331 3.813 10 0 CHAERN c1cc(-c2noc(CSC3CCCC3)n2)co1 ZINC000105571909 261312685 /nfs/dbraw/zinc/31/26/85/261312685.db2.gz FKPDKJJBRCKNRD-UHFFFAOYSA-N 0 0 250.323 3.505 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000176884712 261315702 /nfs/dbraw/zinc/31/57/02/261315702.db2.gz BMEJWLMRXJZBFS-XXILOJSOSA-N 0 0 281.758 3.702 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1ccc(F)cc1F ZINC000176900153 261318083 /nfs/dbraw/zinc/31/80/83/261318083.db2.gz RBBPPSQWMKOKSU-VIFPVBQESA-N 0 0 298.362 3.527 10 0 CHAERN COc1ccsc1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000105941477 261318237 /nfs/dbraw/zinc/31/82/37/261318237.db2.gz LJFLWZGMCGRWNW-UHFFFAOYSA-N 0 0 295.791 3.682 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc[nH]c2C)o1 ZINC000177063492 261328595 /nfs/dbraw/zinc/32/85/95/261328595.db2.gz CSRQPLZDXYTKCH-HNNXBMFYSA-N 0 0 286.375 3.846 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc[nH]c2C)o1 ZINC000177063513 261328688 /nfs/dbraw/zinc/32/86/88/261328688.db2.gz CSRQPLZDXYTKCH-OAHLLOKOSA-N 0 0 286.375 3.846 10 0 CHAERN FC(F)CNc1ccnc2cc(Br)ccc21 ZINC000301419549 261333974 /nfs/dbraw/zinc/33/39/74/261333974.db2.gz HOBQEQQJJMFCLI-UHFFFAOYSA-N 0 0 287.107 3.674 10 0 CHAERN C[C@H](NC(=O)CCc1ccoc1)c1ccc(F)c(Cl)c1 ZINC000177179470 261337233 /nfs/dbraw/zinc/33/72/33/261337233.db2.gz KEGOOWRWCGMFKZ-JTQLQIEISA-N 0 0 295.741 3.882 10 0 CHAERN C[C@H](Nc1cc2c(cc1Cl)OCO2)c1cncs1 ZINC000165351645 261369232 /nfs/dbraw/zinc/36/92/32/261369232.db2.gz OPXZOROAJUAYEV-ZETCQYMHSA-N 0 0 282.752 3.698 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000170821539 261444425 /nfs/dbraw/zinc/44/44/25/261444425.db2.gz JWNVKLJRBUSKGP-OIBJUYFYSA-N 0 0 272.320 3.531 10 0 CHAERN CC(C)n1ccnc1CSc1ccccc1F ZINC000171675637 261476889 /nfs/dbraw/zinc/47/68/89/261476889.db2.gz OCLHFMPRXYZCHV-UHFFFAOYSA-N 0 0 250.342 3.895 10 0 CHAERN Cc1cc(C[S@@](=O)Cc2nccn2C(C)C)c(C)s1 ZINC000176836110 261671486 /nfs/dbraw/zinc/67/14/86/261671486.db2.gz QEPZNMUZFNAUAC-LJQANCHMSA-N 0 0 296.461 3.591 10 0 CHAERN CC[C@@H](C)CN(CC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000178458126 261743831 /nfs/dbraw/zinc/74/38/31/261743831.db2.gz NZSVCUVVVUTVRE-YPMHNXCESA-N 0 0 266.385 3.727 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)COC(C)(C)C)o1 ZINC000182994070 261958974 /nfs/dbraw/zinc/95/89/74/261958974.db2.gz HRULPSVQBULAQL-AWEZNQCLSA-N 0 0 293.407 3.711 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cccc(CC)c2)C12CCOCC2 ZINC000186447552 262093941 /nfs/dbraw/zinc/09/39/41/262093941.db2.gz DKGGFUUOLSZMAX-IRXDYDNUSA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cccc(CC)c2)C12CCOCC2 ZINC000186447534 262094054 /nfs/dbraw/zinc/09/40/54/262094054.db2.gz DKGGFUUOLSZMAX-SJORKVTESA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(CC)cc2)C12CCOCC2 ZINC000186447283 262094298 /nfs/dbraw/zinc/09/42/98/262094298.db2.gz ATCTZLKTPSFGEY-SJORKVTESA-N 0 0 289.419 3.635 10 0 CHAERN C[C@H](COCc1ccccc1)Nc1ccc(Cl)cn1 ZINC000390658216 262235720 /nfs/dbraw/zinc/23/57/20/262235720.db2.gz KCZYWZJTAXDUQR-GFCCVEGCSA-N 0 0 276.767 3.752 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1cnc2ccccc2n1 ZINC000390661392 262236713 /nfs/dbraw/zinc/23/67/13/262236713.db2.gz NJSNKPASSDSUGY-AWEZNQCLSA-N 0 0 293.370 3.647 10 0 CHAERN COc1ccc([C@@H](C)C(=O)NCC(C)(C)C(C)C)cc1 ZINC000187623688 263264789 /nfs/dbraw/zinc/26/47/89/263264789.db2.gz OXNMNVNSTVWUQM-CYBMUJFWSA-N 0 0 277.408 3.597 10 0 CHAERN C[C@@H]1CC(CNc2ccnc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000343046187 263566861 /nfs/dbraw/zinc/56/68/61/263566861.db2.gz QTRAZFWPZCUHBR-NXEZZACHSA-N 0 0 288.313 3.716 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)C(C)C)o1 ZINC000189697182 264322551 /nfs/dbraw/zinc/32/25/51/264322551.db2.gz HSXQONMLSDXNDA-GFCCVEGCSA-N 0 0 266.385 3.630 10 0 CHAERN Cc1nnc(N[C@H](C)c2cccc(Br)c2)s1 ZINC000077188884 264349902 /nfs/dbraw/zinc/34/99/02/264349902.db2.gz WHBURJPRJZYRCT-SSDOTTSWSA-N 0 0 298.209 3.782 10 0 CHAERN Cc1nc(NCC2(C3CC3)CC2)ccc1Br ZINC000230083432 264485802 /nfs/dbraw/zinc/48/58/02/264485802.db2.gz LEBXLAODLZHRCG-UHFFFAOYSA-N 0 0 281.197 3.755 10 0 CHAERN CC1(C)CCCC[C@H]1c1nc([C@H]2CCCO2)no1 ZINC000335828698 265219099 /nfs/dbraw/zinc/21/90/99/265219099.db2.gz AOSDJGYQEGZOCK-WDEREUQCSA-N 0 0 250.342 3.605 10 0 CHAERN C[C@@H](O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000094654907 265248973 /nfs/dbraw/zinc/24/89/73/265248973.db2.gz HBXUUWIGDZFOJN-NXEZZACHSA-N 0 0 250.725 3.641 10 0 CHAERN C[C@@H](Oc1ccc(Cl)c2ccccc12)[C@H](C)O ZINC000094654906 265249079 /nfs/dbraw/zinc/24/90/79/265249079.db2.gz HBXUUWIGDZFOJN-VHSXEESVSA-N 0 0 250.725 3.641 10 0 CHAERN CC(C)CCN(C(=O)CNc1ccccc1)C1CCCC1 ZINC000094848003 265264080 /nfs/dbraw/zinc/26/40/80/265264080.db2.gz WVQKHMXYABKBDR-UHFFFAOYSA-N 0 0 288.435 3.916 10 0 CHAERN Cc1ncc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)s1 ZINC000179282368 265743879 /nfs/dbraw/zinc/74/38/79/265743879.db2.gz SKDKFRLRGVJUIS-IINYFYTJSA-N 0 0 286.400 3.820 10 0 CHAERN CCCCS[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047284 267121274 /nfs/dbraw/zinc/12/12/74/267121274.db2.gz XUVPKWOGDJASAG-OLZOCXBDSA-N 0 0 281.421 3.865 10 0 CHAERN CCOc1ccccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047000 267121104 /nfs/dbraw/zinc/12/11/04/267121104.db2.gz XWHWQOGLLOSYSB-CQSZACIVSA-N 0 0 285.343 3.656 10 0 CHAERN Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116045525 267121182 /nfs/dbraw/zinc/12/11/82/267121182.db2.gz NSQIKPNZPDMRGN-OAHLLOKOSA-N 0 0 269.344 3.874 10 0 CHAERN O=C(c1ccc(Cl)s1)N1CCC[C@@H]1c1ccco1 ZINC000116043706 267121228 /nfs/dbraw/zinc/12/12/28/267121228.db2.gz LTLCOKRIHSJPRP-SECBINFHSA-N 0 0 281.764 3.972 10 0 CHAERN O=C(c1ccc(Cl)o1)N1CCC[C@@H]1c1ccco1 ZINC000116043479 267121271 /nfs/dbraw/zinc/12/12/71/267121271.db2.gz TVFKINIIMXTOOI-SECBINFHSA-N 0 0 265.696 3.503 10 0 CHAERN Cc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1C ZINC000116048239 267121342 /nfs/dbraw/zinc/12/13/42/267121342.db2.gz FSSHPVKWYUCNIA-HNNXBMFYSA-N 0 0 269.344 3.874 10 0 CHAERN CCn1c(C)cc(C(=O)N2CCC[C@H]2c2ccco2)c1C ZINC000116211576 267133396 /nfs/dbraw/zinc/13/33/96/267133396.db2.gz PNNNUMXXNQJAHQ-HNNXBMFYSA-N 0 0 286.375 3.695 10 0 CHAERN Fc1ccc(CN2CCC[C@@H]2c2ccco2)cc1F ZINC000116298919 267138093 /nfs/dbraw/zinc/13/80/93/267138093.db2.gz DRCOIUKRXKIAPC-CQSZACIVSA-N 0 0 263.287 3.895 10 0 CHAERN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116405970 267151997 /nfs/dbraw/zinc/15/19/97/267151997.db2.gz SYHAFLUSSGPBBJ-CQSZACIVSA-N 0 0 286.331 3.657 10 0 CHAERN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116406046 267152088 /nfs/dbraw/zinc/15/20/88/267152088.db2.gz JSVNIMADSJQFCU-AWEZNQCLSA-N 0 0 270.332 3.957 10 0 CHAERN CN(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116481965 267153666 /nfs/dbraw/zinc/15/36/66/267153666.db2.gz SWPQLEUDVOJCFV-HNNXBMFYSA-N 0 0 299.374 3.715 10 0 CHAERN COc1ccc(C)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117565687 267216253 /nfs/dbraw/zinc/21/62/53/267216253.db2.gz KHJRUHCCNHCVHW-SJCJKPOMSA-N 0 0 297.354 3.507 10 0 CHAERN CC(C)CCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000118052537 267236634 /nfs/dbraw/zinc/23/66/34/267236634.db2.gz XCHFMXOWNBEDGL-UHFFFAOYSA-N 0 0 278.421 3.593 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1C[C@H]2CCCCC[C@@H]21 ZINC000377240717 268059032 /nfs/dbraw/zinc/05/90/32/268059032.db2.gz PBSVWJQMPNTVOH-KOLCDFICSA-N 0 0 299.201 3.793 10 0 CHAERN CCCC[C@@H](N[C@@H](C)c1ccccn1)C(=O)OC(C)(C)C ZINC000157450033 327616885 /nfs/dbraw/zinc/61/68/85/327616885.db2.gz IEPOBNIOZJBIJA-DZGCQCFKSA-N 0 0 292.423 3.633 10 0 CHAERN Cc1ccc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117559154 327902489 /nfs/dbraw/zinc/90/24/89/327902489.db2.gz SGGNKFQYYNJFTG-GUYCJALGSA-N 0 0 281.355 3.807 10 0 CHAERN C[C@@H]1CC[C@@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000129181417 327904740 /nfs/dbraw/zinc/90/47/40/327904740.db2.gz NFIBCEJYKQHZEO-SKDRFNHKSA-N 0 0 278.739 3.554 10 0 CHAERN CC(C)n1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000188533203 327916253 /nfs/dbraw/zinc/91/62/53/327916253.db2.gz UTRVXZATUOOALE-CXAGYDPISA-N 0 0 297.402 3.832 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)N(C)CC2CC2)c2ccccc21 ZINC000153127154 327965404 /nfs/dbraw/zinc/96/54/04/327965404.db2.gz CXBYMKMSHYULHZ-WBMJQRKESA-N 0 0 272.392 3.676 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2Cl)o1 ZINC000173479084 329147245 /nfs/dbraw/zinc/14/72/45/329147245.db2.gz CQGWSLMDJQEQLR-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN CC[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000093155946 328216689 /nfs/dbraw/zinc/21/66/89/328216689.db2.gz ICEDUKGKRNQOEY-UWVGGRQHSA-N 0 0 286.828 3.904 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2nccs2)CC(C)(C)C1 ZINC000182222029 329240919 /nfs/dbraw/zinc/24/09/19/329240919.db2.gz AGPIVLOJPCDPDI-NXEZZACHSA-N 0 0 252.383 3.544 10 0 CHAERN C[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000048469390 328313710 /nfs/dbraw/zinc/31/37/10/328313710.db2.gz UZKPKXIHTWOGOC-SSDOTTSWSA-N 0 0 273.163 3.913 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000070124247 328394999 /nfs/dbraw/zinc/39/49/99/328394999.db2.gz KYQAZRADJWQPAX-MNOVXSKESA-N 0 0 298.224 3.918 10 0 CHAERN COCc1ccccc1NCc1ccc(F)cc1C ZINC000050569420 328444524 /nfs/dbraw/zinc/44/45/24/328444524.db2.gz YNXSIWKEPXRDSG-UHFFFAOYSA-N 0 0 259.324 3.893 10 0 CHAERN Fc1cccc(F)c1CNc1ccnc(Cl)c1 ZINC000129926289 328486593 /nfs/dbraw/zinc/48/65/93/328486593.db2.gz RQLNDIBVDSBAED-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN O=C(c1cc(F)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000116047933 326812104 /nfs/dbraw/zinc/81/21/04/326812104.db2.gz DSNXXXLMIGDXCZ-ZDUSSCGKSA-N 0 0 277.270 3.535 10 0 CHAERN CN1CCC(C)(C)c2cc(Br)ccc21 ZINC000034398322 326901486 /nfs/dbraw/zinc/90/14/86/326901486.db2.gz BOOIABRLBHYNSK-UHFFFAOYSA-N 0 0 254.171 3.567 10 0 CHAERN CCC[C@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153293573 326984731 /nfs/dbraw/zinc/98/47/31/326984731.db2.gz NOOGQLGAUVNVJI-NHYWBVRUSA-N 0 0 263.356 3.756 10 0 CHAERN O=C(/C=C\c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000255504917 326986320 /nfs/dbraw/zinc/98/63/20/326986320.db2.gz BQIOBXZQYWAFAI-JQPIKURYSA-N 0 0 267.328 3.657 10 0 CHAERN CCN(CC)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000126804045 327296637 /nfs/dbraw/zinc/29/66/37/327296637.db2.gz FKXSVFKVPWIYAF-HOTGVXAUSA-N 0 0 259.393 3.782 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000151467950 327471940 /nfs/dbraw/zinc/47/19/40/327471940.db2.gz BAOGESXPYOJWNX-KBPBESRZSA-N 0 0 285.387 3.832 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151477979 327472327 /nfs/dbraw/zinc/47/23/27/327472327.db2.gz DWPYLMJIRPKQHC-SDDRHHMPSA-N 0 0 294.361 3.841 10 0 CHAERN Cc1cc(Br)c(F)cc1NCc1cc[nH]c1 ZINC000160200946 327529129 /nfs/dbraw/zinc/52/91/29/327529129.db2.gz FJIPPPIGMPDGQB-UHFFFAOYSA-N 0 0 283.144 3.837 10 0 CHAERN C[C@H](NC(=O)N1CCCC1(C)C)c1cccc(Cl)c1 ZINC000102958300 328716370 /nfs/dbraw/zinc/71/63/70/328716370.db2.gz QWYROUMWXGTLGE-NSHDSACASA-N 0 0 280.799 3.985 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccccc3)c21 ZINC000103176076 328764012 /nfs/dbraw/zinc/76/40/12/328764012.db2.gz ZLBIJTSTRNUXFW-UHFFFAOYSA-N 0 0 293.370 3.841 10 0 CHAERN CC[C@@H](NC(=O)c1ccc(Br)s1)C(C)C ZINC000042550696 328769352 /nfs/dbraw/zinc/76/93/52/328769352.db2.gz HHIOJIIWFFZNAG-MRVPVSSYSA-N 0 0 290.226 3.675 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116042352 328933942 /nfs/dbraw/zinc/93/39/42/328933942.db2.gz POZBWCMNORPLOI-GDBMZVCRSA-N 0 0 299.370 3.719 10 0 CHAERN CS[C@@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000122233246 328997859 /nfs/dbraw/zinc/99/78/59/328997859.db2.gz NDFZJWXUBWCHKV-NSHDSACASA-N 0 0 281.446 3.505 10 0 CHAERN Clc1ncc(CNc2cccc3c2OCCC3)s1 ZINC000378296794 329045433 /nfs/dbraw/zinc/04/54/33/329045433.db2.gz VWBLULZLYLYZQT-UHFFFAOYSA-N 0 0 280.780 3.734 10 0 CHAERN CCC[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171414613 329075639 /nfs/dbraw/zinc/07/56/39/329075639.db2.gz YTRADZJWKTUMOL-DZGCQCFKSA-N 0 0 292.448 3.675 10 0 CHAERN CCCN(C(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000171411721 329075704 /nfs/dbraw/zinc/07/57/04/329075704.db2.gz BWTHJRPUSVLMQI-INIZCTEOSA-N 0 0 272.392 3.648 10 0 CHAERN COc1cc(C)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000172058834 329080621 /nfs/dbraw/zinc/08/06/21/329080621.db2.gz YMPIXVAUXYDKIG-SJKOYZFVSA-N 0 0 297.354 3.507 10 0 CHAERN Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)n1 ZINC000172044225 329083671 /nfs/dbraw/zinc/08/36/71/329083671.db2.gz WWENZHULWIWFQW-SJKOYZFVSA-N 0 0 296.370 3.510 10 0 CHAERN O=C(CCc1cccs1)N1CCC[C@@H]1c1ccco1 ZINC000172243022 329084196 /nfs/dbraw/zinc/08/41/96/329084196.db2.gz BUVPNYWSWLEBBW-CYBMUJFWSA-N 0 0 275.373 3.637 10 0 CHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000173059801 329139830 /nfs/dbraw/zinc/13/98/30/329139830.db2.gz DMPYPCBLYKSJFB-ZBFHGGJFSA-N 0 0 291.439 3.690 10 0 CHAERN CCC(C)(C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173409144 329146668 /nfs/dbraw/zinc/14/66/68/329146668.db2.gz RSBNEANRTOHLQG-GFCCVEGCSA-N 0 0 280.437 3.594 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000173417723 329146997 /nfs/dbraw/zinc/14/69/97/329146997.db2.gz MNGPCXSFLRDISR-LLVKDONJSA-N 0 0 292.429 3.533 10 0 CHAERN O=C(C[C@@H]1CCOc2ccccc21)N1CCC2(CCCC2)C1 ZINC000173762833 329148215 /nfs/dbraw/zinc/14/82/15/329148215.db2.gz NGZAIXGZFXKESR-HNNXBMFYSA-N 0 0 299.414 3.736 10 0 CHAERN C[C@@H](C(=O)N1CC=C(c2ccccc2)CC1)c1cccnc1 ZINC000173624997 329150090 /nfs/dbraw/zinc/15/00/90/329150090.db2.gz DDBAGWGKBGHCLW-OAHLLOKOSA-N 0 0 292.382 3.501 10 0 CHAERN CCC(C)(C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174069630 329153840 /nfs/dbraw/zinc/15/38/40/329153840.db2.gz MIHDGKXWCKIZLB-UHFFFAOYSA-N 0 0 292.398 3.665 10 0 CHAERN CCCCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174074409 329154090 /nfs/dbraw/zinc/15/40/90/329154090.db2.gz JBWORTVWWPTGSJ-UHFFFAOYSA-N 0 0 292.398 3.809 10 0 CHAERN CC1(C)C(C(=O)N2CCC[C@@H]2c2ccco2)C1(C)C ZINC000174906696 329161657 /nfs/dbraw/zinc/16/16/57/329161657.db2.gz VKRSUHYMXRTIJA-LLVKDONJSA-N 0 0 261.365 3.625 10 0 CHAERN CCC1(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)CCC1 ZINC000176194359 329172356 /nfs/dbraw/zinc/17/23/56/329172356.db2.gz GVCOZOVPUPOVCA-ZDUSSCGKSA-N 0 0 292.448 3.738 10 0 CHAERN Cc1cscc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000176451857 329175763 /nfs/dbraw/zinc/17/57/63/329175763.db2.gz AQEBJWJQKALYFJ-LLVKDONJSA-N 0 0 292.429 3.533 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC000178044438 329192041 /nfs/dbraw/zinc/19/20/41/329192041.db2.gz ADJIDJMVKFHIDO-YGRLFVJLSA-N 0 0 297.782 3.633 10 0 CHAERN COCc1csc(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000180564507 329220798 /nfs/dbraw/zinc/22/07/98/329220798.db2.gz ASLVEDULXBGMPA-QWRGUYRKSA-N 0 0 296.436 3.690 10 0 CHAERN CCO[C@H]1C[C@@H](N(C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593465 329221085 /nfs/dbraw/zinc/22/10/85/329221085.db2.gz IDQYUQCUJNIMHD-KGLIPLIRSA-N 0 0 294.464 3.621 10 0 CHAERN CCc1ccccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180609275 329221251 /nfs/dbraw/zinc/22/12/51/329221251.db2.gz IOPCSHXQIJLUJP-INIZCTEOSA-N 0 0 298.390 3.731 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)c(O)c2)o1 ZINC000181119602 329226707 /nfs/dbraw/zinc/22/67/07/329226707.db2.gz BOLBQVMVVAFBDO-HNNXBMFYSA-N 0 0 299.370 3.969 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1nccs1)[C@H](C)C2 ZINC000181332231 329231609 /nfs/dbraw/zinc/23/16/09/329231609.db2.gz DNIWIEHMXQGQEU-ZWNOBZJWSA-N 0 0 287.388 3.507 10 0 CHAERN C[C@@H](NCc1ncc(-c2ccccc2F)o1)c1ccncc1 ZINC000181591216 329234852 /nfs/dbraw/zinc/23/48/52/329234852.db2.gz PBMHOVPHFKDORU-GFCCVEGCSA-N 0 0 297.333 3.727 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCC[C@@H]2CCCCO2)CC(C)(C)C1 ZINC000181615606 329235310 /nfs/dbraw/zinc/23/53/10/329235310.db2.gz YFXVKONDPUGXSI-KFWWJZLASA-N 0 0 281.440 3.524 10 0 CHAERN O=C(Nc1ccnc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000181887632 329238279 /nfs/dbraw/zinc/23/82/79/329238279.db2.gz POHNSVYJOHIBNK-NSHDSACASA-N 0 0 291.738 3.697 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C3CC3)on1)[C@@H](C)C2 ZINC000182217674 329240934 /nfs/dbraw/zinc/24/09/34/329240934.db2.gz HNCCITMLEKKZHF-GTNSWQLSSA-N 0 0 296.370 3.524 10 0 CHAERN CC(C)OCCCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000182335438 329241810 /nfs/dbraw/zinc/24/18/10/329241810.db2.gz FBYNBFVEPZBKGY-HOTGVXAUSA-N 0 0 281.440 3.524 10 0 CHAERN CC[C@@H](Nc1cccc(-c2cnco2)c1)c1cnn(C)c1 ZINC000182831598 329242331 /nfs/dbraw/zinc/24/23/31/329242331.db2.gz NZQUTZLVXRDLSK-OAHLLOKOSA-N 0 0 282.347 3.638 10 0 CHAERN CC[C@@H](C)[C@@H](C)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000183596973 329250753 /nfs/dbraw/zinc/25/07/53/329250753.db2.gz ZPWCZQOHRATRHE-DGCLKSJQSA-N 0 0 294.464 3.840 10 0 CHAERN Cc1nc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)sc1C ZINC000184099220 329256483 /nfs/dbraw/zinc/25/64/83/329256483.db2.gz IDGDEGOVSRBLAC-GXFFZTMASA-N 0 0 294.464 3.839 10 0 CHAERN Cc1ccnc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000184180677 329257145 /nfs/dbraw/zinc/25/71/45/329257145.db2.gz HOWPPDKCOGXXDT-UHFFFAOYSA-N 0 0 293.370 3.711 10 0 CHAERN Cn1c(CSCC2CCCCCC2)nnc1C1CC1 ZINC000184510745 329259597 /nfs/dbraw/zinc/25/95/97/329259597.db2.gz UISNGNNIMVWVBX-UHFFFAOYSA-N 0 0 279.453 3.896 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184631052 329261647 /nfs/dbraw/zinc/26/16/47/329261647.db2.gz QLAVFTZTQSUULN-SQWLQELKSA-N 0 0 293.407 3.751 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H](C)[C@@H]1C[C@H]1C ZINC000321129348 329264060 /nfs/dbraw/zinc/26/40/60/329264060.db2.gz TUIJPRRKHNYXBE-IRUJWGPZSA-N 0 0 257.337 3.501 10 0 CHAERN C=Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000185252480 329269674 /nfs/dbraw/zinc/26/96/74/329269674.db2.gz SPJOUQNWZQIZAU-LBPRGKRZSA-N 0 0 255.317 3.722 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCCC3(CC3)C2)CC(C)(C)C1 ZINC000185376520 329271450 /nfs/dbraw/zinc/27/14/50/329271450.db2.gz CMLSUSYENQDQCE-ZIAGYGMSSA-N 0 0 263.425 3.851 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000187763060 329360460 /nfs/dbraw/zinc/36/04/60/329360460.db2.gz VWWAORYJDTULDH-AWEZNQCLSA-N 0 0 283.375 3.587 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000187762892 329360486 /nfs/dbraw/zinc/36/04/86/329360486.db2.gz YYMUXWWPBDSSBK-ZDUSSCGKSA-N 0 0 289.354 3.582 10 0 CHAERN O=C(Nc1ccc2c(c1)CCN2)c1ccc(Cl)s1 ZINC000063180976 329368819 /nfs/dbraw/zinc/36/88/19/329368819.db2.gz DFHYNSFFJLJIHU-UHFFFAOYSA-N 0 0 278.764 3.622 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(Cl)cc2C)o1 ZINC000231901059 329381604 /nfs/dbraw/zinc/38/16/04/329381604.db2.gz ZUZXJOXHEIVFIC-LLVKDONJSA-N 0 0 264.756 3.796 10 0 CHAERN COCCC[C@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190384052 329395990 /nfs/dbraw/zinc/39/59/90/329395990.db2.gz ACJQZVPEAGHDBG-AVGNSLFASA-N 0 0 296.411 3.518 10 0 CHAERN CCCCC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207314 329410771 /nfs/dbraw/zinc/41/07/71/329410771.db2.gz BOJFMERVFJFCDA-GFCCVEGCSA-N 0 0 281.346 3.861 10 0 CHAERN C(SC1CCOCC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000191838085 329423998 /nfs/dbraw/zinc/42/39/98/329423998.db2.gz CBZCADHVSYEGLT-ZDUSSCGKSA-N 0 0 270.438 3.781 10 0 CHAERN c1coc(-c2ncc(CN[C@H]3COc4ccccc43)s2)c1 ZINC000193088085 329438682 /nfs/dbraw/zinc/43/86/82/329438682.db2.gz CWSRMPFEDPMCBE-ZDUSSCGKSA-N 0 0 298.367 3.626 10 0 CHAERN Cc1ccc(F)cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041876 329544341 /nfs/dbraw/zinc/54/43/41/329544341.db2.gz XWWQICSASXGOOK-AWEZNQCLSA-N 0 0 273.307 3.704 10 0 CHAERN O=C(c1nccc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116211442 329544711 /nfs/dbraw/zinc/54/47/11/329544711.db2.gz IOLJXMHICFXSMQ-HNNXBMFYSA-N 0 0 292.338 3.805 10 0 CHAERN C[C@H](NC(=O)N1CC=C(c2cccs2)CC1)C(C)(C)C ZINC000118075386 329546949 /nfs/dbraw/zinc/54/69/49/329546949.db2.gz GKXZQPKGQCOOGX-LBPRGKRZSA-N 0 0 292.448 3.981 10 0 CHAERN O=C(C(C1CC1)C1CC1)N1CC=C(c2cccs2)CC1 ZINC000124488143 329570959 /nfs/dbraw/zinc/57/09/59/329570959.db2.gz VRHCDIVORMOYFN-UHFFFAOYSA-N 0 0 287.428 3.800 10 0 CHAERN Cc1csc(NC(=O)N[C@@H](C)c2ccccc2C)n1 ZINC000043257956 329580196 /nfs/dbraw/zinc/58/01/96/329580196.db2.gz NPRSHDVQVQDGMX-NSHDSACASA-N 0 0 275.377 3.643 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000128945334 329613233 /nfs/dbraw/zinc/61/32/33/329613233.db2.gz BQZRCEQMDUTFOP-WCQYABFASA-N 0 0 279.405 3.693 10 0 CHAERN C[C@@H](NC(=O)Nc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000048954847 329632378 /nfs/dbraw/zinc/63/23/78/329632378.db2.gz FNDJUYYPGVKZBU-SECBINFHSA-N 0 0 293.729 3.757 10 0 CHAERN CCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC000133615681 329654092 /nfs/dbraw/zinc/65/40/92/329654092.db2.gz ODEURGUTPUWNCL-YGRLFVJLSA-N 0 0 297.782 3.635 10 0 CHAERN CC[C@]1(C)C[C@H]1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000135277669 329665218 /nfs/dbraw/zinc/66/52/18/329665218.db2.gz ASIKUNHAWQKNQI-XJKSGUPXSA-N 0 0 292.448 3.594 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)Cc2ccncc2)cc1 ZINC000194952081 329689970 /nfs/dbraw/zinc/68/99/70/329689970.db2.gz DENXUPYWUHLZAQ-AWEZNQCLSA-N 0 0 282.387 3.625 10 0 CHAERN C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000246309303 329827146 /nfs/dbraw/zinc/82/71/46/329827146.db2.gz IDTPVJBWWLNJLL-XHBSWPGZSA-N 0 0 257.377 3.787 10 0 CHAERN C[C@@H](NC(=O)c1cc[nH]c1)c1ccc2ccccc2c1 ZINC000068231059 329852002 /nfs/dbraw/zinc/85/20/02/329852002.db2.gz XCGXWXPVUAFRNM-GFCCVEGCSA-N 0 0 264.328 3.659 10 0 CHAERN Clc1ccc(CN[C@H]2COc3ccccc32)s1 ZINC000070070212 329855120 /nfs/dbraw/zinc/85/51/20/329855120.db2.gz MJEKXZFGHXVNPQ-NSHDSACASA-N 0 0 265.765 3.625 10 0 CHAERN CCn1cc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000074399557 329864136 /nfs/dbraw/zinc/86/41/36/329864136.db2.gz QVOVTIFYNLOAGR-ZDUSSCGKSA-N 0 0 285.391 3.517 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000248339036 329889325 /nfs/dbraw/zinc/88/93/25/329889325.db2.gz IBEUZCLYSCTXES-DLTWYDFYSA-N 0 0 287.403 3.942 10 0 CHAERN C[C@@H]1COC[C@H](C)N1Cc1csc(C2CCCCC2)n1 ZINC000077366016 329924988 /nfs/dbraw/zinc/92/49/88/329924988.db2.gz ONWDUBBIVJSHNG-BETUJISGSA-N 0 0 294.464 3.800 10 0 CHAERN CCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078185785 329944344 /nfs/dbraw/zinc/94/43/44/329944344.db2.gz CXPSCOYURSLBBO-HIFRSBDPSA-N 0 0 275.392 3.590 10 0 CHAERN CC(C)c1ccc(NC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000080467192 330132198 /nfs/dbraw/zinc/13/21/98/330132198.db2.gz CHTRAOABRFOJRQ-HNNXBMFYSA-N 0 0 283.375 3.523 10 0 CHAERN CCC(=O)N[C@H]1CCCOc2c3ccccc3ccc21 ZINC000084229283 330361595 /nfs/dbraw/zinc/36/15/95/330361595.db2.gz COCRSBJGAGFCHR-HNNXBMFYSA-N 0 0 269.344 3.580 10 0 CHAERN Cc1ccccc1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000055274695 330364142 /nfs/dbraw/zinc/36/41/42/330364142.db2.gz NPPMUTQOBALDQK-KBPBESRZSA-N 0 0 299.336 3.775 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1nc(C2CC2)ns1 ZINC000087641307 330373837 /nfs/dbraw/zinc/37/38/37/330373837.db2.gz AGCHSTWHYZEXEQ-JTQLQIEISA-N 0 0 259.378 3.897 10 0 CHAERN C[C@@H](Nc1nc(C(C)(C)C)ns1)c1ccco1 ZINC000087640617 330373845 /nfs/dbraw/zinc/37/38/45/330373845.db2.gz JSZMNONDCNWYGX-MRVPVSSYSA-N 0 0 251.355 3.602 10 0 CHAERN CCc1nsc(N[C@H]2CCCc3ccccc32)n1 ZINC000087641650 330373934 /nfs/dbraw/zinc/37/39/34/330373934.db2.gz RUIFKMNOQGRGDZ-LBPRGKRZSA-N 0 0 259.378 3.590 10 0 CHAERN C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818092 330379103 /nfs/dbraw/zinc/37/91/03/330379103.db2.gz GEEUVDMCSVEJAH-IGJMFERPSA-N 0 0 274.191 3.821 10 0 CHAERN CCC[C@](C)(O)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000119813495 330380051 /nfs/dbraw/zinc/38/00/51/330380051.db2.gz AMSDOYYBBOCVOV-UGSOOPFHSA-N 0 0 285.387 3.568 10 0 CHAERN CC(C)(C)OC(=O)NCCCCC(=O)c1ccccc1F ZINC000405616587 330381943 /nfs/dbraw/zinc/38/19/43/330381943.db2.gz CAKYYSYZWRYVGA-UHFFFAOYSA-N 0 0 295.354 3.703 10 0 CHAERN C[C@@H]1CCCC[C@]12C[C@@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956538 330383260 /nfs/dbraw/zinc/38/32/60/330383260.db2.gz YNANVRPIAGMPJA-IOASZLSFSA-N 0 0 283.412 3.591 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)c1ccccc1C ZINC000058607278 330389763 /nfs/dbraw/zinc/38/97/63/330389763.db2.gz MYINRBUNEQYKGA-UHFFFAOYSA-N 0 0 283.371 3.920 10 0 CHAERN CCCn1ccc(CN[C@H](CC)c2nccs2)c1 ZINC000091015880 330397868 /nfs/dbraw/zinc/39/78/68/330397868.db2.gz VFSDGBAHVBZFFJ-CYBMUJFWSA-N 0 0 263.410 3.596 10 0 CHAERN CCn1c(C)nnc1CSC[C@@H]1CCC[C@H](C)C1 ZINC000091037411 330398007 /nfs/dbraw/zinc/39/80/07/330398007.db2.gz KSASGVPSQGFYHA-WCQYABFASA-N 0 0 267.442 3.666 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)O1 ZINC000122764504 330427078 /nfs/dbraw/zinc/42/70/78/330427078.db2.gz DEIJYGFWYBEXRS-XIKOKIGWSA-N 0 0 293.366 3.764 10 0 CHAERN O=C(NCCC1CCCCC1)c1cccc2c1CCCN2 ZINC000061411948 330437789 /nfs/dbraw/zinc/43/77/89/330437789.db2.gz WGXUFMCPNPVHRQ-UHFFFAOYSA-N 0 0 286.419 3.745 10 0 CHAERN CCOc1cc(N[C@H](C)c2cncs2)ccc1OC ZINC000165100247 331305764 /nfs/dbraw/zinc/30/57/64/331305764.db2.gz CFUZWVPHDFUZFZ-SNVBAGLBSA-N 0 0 278.377 3.724 10 0 CHAERN O=C(N1CCc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000172141406 335095785 /nfs/dbraw/zinc/09/57/85/335095785.db2.gz WZZQVDDWKLRHJY-HNNXBMFYSA-N 0 0 282.343 3.599 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCC(C)(C)C)o1 ZINC000174302627 332995571 /nfs/dbraw/zinc/99/55/71/332995571.db2.gz TULTTYPHUJKWAJ-ZDUSSCGKSA-N 0 0 278.396 3.871 10 0 CHAERN Cc1cccc(C)c1C(=O)N[C@H](C)COCc1ccccc1 ZINC000175288487 333020049 /nfs/dbraw/zinc/02/00/49/333020049.db2.gz INAHRBDEGQCOEW-MRXNPFEDSA-N 0 0 297.398 3.639 10 0 CHAERN CCC(=O)C(CC)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000001600930 333024333 /nfs/dbraw/zinc/02/43/33/333024333.db2.gz VXQMNZNWFJLHAO-UHFFFAOYSA-N 0 0 284.355 3.773 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)sn1 ZINC000176416605 333041958 /nfs/dbraw/zinc/04/19/58/333041958.db2.gz MNIBAZMNWGSJRY-VXGBXAGGSA-N 0 0 264.394 3.606 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N(C)C2CCCC2)cc1F ZINC000176671601 333045442 /nfs/dbraw/zinc/04/54/42/333045442.db2.gz PNHUXOGMONRBOU-LBPRGKRZSA-N 0 0 278.371 3.779 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000177929826 333065836 /nfs/dbraw/zinc/06/58/36/333065836.db2.gz HDGSSNIHZYBRDD-WWGRRREGSA-N 0 0 275.392 3.555 10 0 CHAERN CCc1cc(C(=O)N[C@@H](C)c2cccs2)oc1CC ZINC000178322489 333070994 /nfs/dbraw/zinc/07/09/94/333070994.db2.gz WDPBIBCMMANIEQ-JTQLQIEISA-N 0 0 277.389 3.957 10 0 CHAERN CC1(CC(=O)N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000178703219 333076982 /nfs/dbraw/zinc/07/69/82/333076982.db2.gz LUEBNRATHHYNBX-OAHLLOKOSA-N 0 0 287.403 3.987 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)CCc2ccco2)c2ccccc21 ZINC000179079282 333079474 /nfs/dbraw/zinc/07/94/74/333079474.db2.gz JGTVVZOLCWVMTE-DYVFJYSZSA-N 0 0 283.371 3.967 10 0 CHAERN CCC1CCC(NC(=O)Cc2cccc(F)c2F)CC1 ZINC000087067671 333081134 /nfs/dbraw/zinc/08/11/34/333081134.db2.gz IWMABNXYIQKXSI-UHFFFAOYSA-N 0 0 281.346 3.592 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2F)cc1F ZINC000088234282 333087246 /nfs/dbraw/zinc/08/72/46/333087246.db2.gz PIIVSTMWZKZYAE-LLVKDONJSA-N 0 0 275.298 3.764 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2F)cc1F ZINC000088233922 333087306 /nfs/dbraw/zinc/08/73/06/333087306.db2.gz XXQFRWNVFWOCME-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCCCO2)cc1F ZINC000088234087 333087373 /nfs/dbraw/zinc/08/73/73/333087373.db2.gz XFRBNBJBPDKIBJ-DZGCQCFKSA-N 0 0 293.382 3.661 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C)C2)cc1F ZINC000088785542 333092110 /nfs/dbraw/zinc/09/21/10/333092110.db2.gz WUKPTTCDYXFJDG-AAEUAGOBSA-N 0 0 278.371 3.637 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCn3cccc3[C@@H]2C)CC(C)(C)C1 ZINC000183078645 333118816 /nfs/dbraw/zinc/11/88/16/333118816.db2.gz TWCCOYCLQIBWER-QLFBSQMISA-N 0 0 288.435 3.854 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184208726 333125646 /nfs/dbraw/zinc/12/56/46/333125646.db2.gz WKFOEZFWUCOSQW-HUUCEWRRSA-N 0 0 297.483 3.754 10 0 CHAERN O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000219823209 333157564 /nfs/dbraw/zinc/15/75/64/333157564.db2.gz VZBRBOIAYCNREY-BBRMVZONSA-N 0 0 297.801 3.606 10 0 CHAERN O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000219824116 333157635 /nfs/dbraw/zinc/15/76/35/333157635.db2.gz JVACXMVHWYMFKQ-XJKSGUPXSA-N 0 0 297.801 3.606 10 0 CHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000220917648 333170772 /nfs/dbraw/zinc/17/07/72/333170772.db2.gz CSLRHSYKZNCMMD-QWHCGFSZSA-N 0 0 270.376 3.884 10 0 CHAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000220917704 333170946 /nfs/dbraw/zinc/17/09/46/333170946.db2.gz CSLRHSYKZNCMMD-STQMWFEESA-N 0 0 270.376 3.884 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N(CC1CCC1)c1ccccc1 ZINC000189126706 333181464 /nfs/dbraw/zinc/18/14/64/333181464.db2.gz OQFQNHPWTCUBDG-WMLDXEAASA-N 0 0 287.403 3.635 10 0 CHAERN CSC1(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000189612284 333196352 /nfs/dbraw/zinc/19/63/52/333196352.db2.gz ZBDBYNRAKOCFDZ-GFCCVEGCSA-N 0 0 277.433 3.883 10 0 CHAERN CCCCOc1cccc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000189934940 333200816 /nfs/dbraw/zinc/20/08/16/333200816.db2.gz BJABXAFXLWYHCQ-CJNGLKHVSA-N 0 0 291.391 3.619 10 0 CHAERN Cc1nc(CN[C@H](C)c2ccc(C)c(C)c2)oc1C ZINC000223650096 333210459 /nfs/dbraw/zinc/21/04/59/333210459.db2.gz KETUKHATHDWWSH-CYBMUJFWSA-N 0 0 258.365 3.759 10 0 CHAERN C[C@H]1CCC[C@](O)(c2ccccc2Br)C1 ZINC000521400647 333250012 /nfs/dbraw/zinc/25/00/12/333250012.db2.gz CBNWRLJTBYMBBX-GXFFZTMASA-N 0 0 269.182 3.847 10 0 CHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644699 333254638 /nfs/dbraw/zinc/25/46/38/333254638.db2.gz UWJNDUIGBDFVGQ-KBPBESRZSA-N 0 0 286.375 3.574 10 0 CHAERN Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000193835276 333258778 /nfs/dbraw/zinc/25/87/78/333258778.db2.gz DMFVHOBHHDBBDW-GFCCVEGCSA-N 0 0 299.418 3.570 10 0 CHAERN Cc1cc(Oc2c(F)cccc2F)nc(-c2cccnc2)n1 ZINC000194553646 333272681 /nfs/dbraw/zinc/27/26/81/333272681.db2.gz KRSAFGJYVAPMQC-UHFFFAOYSA-N 0 0 299.280 3.918 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000227102693 333276202 /nfs/dbraw/zinc/27/62/02/333276202.db2.gz CGWKJPUAYCPCKY-KWQFWETISA-N 0 0 289.272 3.763 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000194785733 333277509 /nfs/dbraw/zinc/27/75/09/333277509.db2.gz JNYGSZOCQJKNQK-LBPRGKRZSA-N 0 0 288.395 3.783 10 0 CHAERN COCCc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000228070409 333294178 /nfs/dbraw/zinc/29/41/78/333294178.db2.gz XIDNJPCFFCKFTO-GOSISDBHSA-N 0 0 267.372 3.975 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(C3CC3)c2)o1 ZINC000231738625 333328862 /nfs/dbraw/zinc/32/88/62/333328862.db2.gz OCUFXRPCNRXVBI-LBPRGKRZSA-N 0 0 256.349 3.711 10 0 CHAERN C[C@H]1CCC[C@H](C)C1Nc1cccc(Cn2cncn2)c1 ZINC000037785115 333540382 /nfs/dbraw/zinc/54/03/82/333540382.db2.gz SHIOSUNPNBEFNC-KBPBESRZSA-N 0 0 284.407 3.563 10 0 CHAERN Nc1ccccc1CCC(=O)Nc1cccc2ccccc21 ZINC000066153690 333615220 /nfs/dbraw/zinc/61/52/20/333615220.db2.gz PWJHMHQWJMIVMM-UHFFFAOYSA-N 0 0 290.366 3.993 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)CC2CC2)cc1 ZINC000129637734 333784534 /nfs/dbraw/zinc/78/45/34/333784534.db2.gz WVGZCTAEUGVJRD-DLBZAZTESA-N 0 0 271.404 3.782 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Cc1cc(Cl)ccc1Cl ZINC000129874474 333797464 /nfs/dbraw/zinc/79/74/64/333797464.db2.gz YYXOATDAMZRCOM-SECBINFHSA-N 0 0 274.191 3.697 10 0 CHAERN COc1ccccc1NC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000132685958 334000366 /nfs/dbraw/zinc/00/03/66/334000366.db2.gz IGJZPBXCVMONMH-IBGZPJMESA-N 0 0 295.382 3.928 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)NCc2ccco2)c2ccccc21 ZINC000132827210 334006765 /nfs/dbraw/zinc/00/67/65/334006765.db2.gz KMVYUVWHRYVRJF-WBMJQRKESA-N 0 0 284.359 3.717 10 0 CHAERN CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)C(C)C ZINC000075812133 334051715 /nfs/dbraw/zinc/05/17/15/334051715.db2.gz SSCVDTBEIOKSJM-LBPRGKRZSA-N 0 0 282.815 3.916 10 0 CHAERN CCC1(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000078357515 334131894 /nfs/dbraw/zinc/13/18/94/334131894.db2.gz VSRSVJAKJYLULD-GHMZBOCLSA-N 0 0 292.345 3.597 10 0 CHAERN CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)C(C)C)cc12 ZINC000079411335 334153905 /nfs/dbraw/zinc/15/39/05/334153905.db2.gz UKWMAHKCDHQVKM-JTQLQIEISA-N 0 0 293.436 3.533 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ncnc2ccsc21 ZINC000342296035 335179132 /nfs/dbraw/zinc/17/91/32/335179132.db2.gz PXSGPNCSUFFAAQ-LBPRGKRZSA-N 0 0 299.399 3.709 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cccc(-c3nnco3)c2)C1 ZINC000080428728 334171331 /nfs/dbraw/zinc/17/13/31/334171331.db2.gz OUCQDKLTBCKXOZ-SMDDNHRTSA-N 0 0 257.337 3.727 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(Cn3cccn3)cc2)C1 ZINC000080457560 334171677 /nfs/dbraw/zinc/17/16/77/334171677.db2.gz OZMSJFJARNJPNM-YOEHRIQHSA-N 0 0 269.392 3.922 10 0 CHAERN CCCCN(C(=O)CNc1ccccc1)c1ccccc1 ZINC000081581403 334198166 /nfs/dbraw/zinc/19/81/66/334198166.db2.gz FOWILDVQFZDGPX-UHFFFAOYSA-N 0 0 282.387 3.932 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000245725823 334215507 /nfs/dbraw/zinc/21/55/07/334215507.db2.gz IONFHWKCRCDSCM-WCVJEAGWSA-N 0 0 281.440 3.667 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245919361 334223964 /nfs/dbraw/zinc/22/39/64/334223964.db2.gz MCHVIYIPCPHQHD-UWXZRWETSA-N 0 0 284.186 3.622 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)O1 ZINC000245979550 334226479 /nfs/dbraw/zinc/22/64/79/334226479.db2.gz GSYZSTDNAJOARZ-XOKHGSTOSA-N 0 0 287.403 3.602 10 0 CHAERN CC(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246332598 334251371 /nfs/dbraw/zinc/25/13/71/334251371.db2.gz LNQJLUBVRXNWBC-WCFLWFBJSA-N 0 0 281.346 3.619 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)s1 ZINC000246616812 334265330 /nfs/dbraw/zinc/26/53/30/334265330.db2.gz LTJSOKPGEBMUQT-RSLMWUCJSA-N 0 0 295.452 3.636 10 0 CHAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Cl)c1 ZINC000247146693 334276420 /nfs/dbraw/zinc/27/64/20/334276420.db2.gz YHHDFHCOJCCSPV-OLRMPSLUSA-N 0 0 263.768 3.563 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000246730440 334268361 /nfs/dbraw/zinc/26/83/61/334268361.db2.gz ZMAHCFISQQWWRA-AXMLXZGRSA-N 0 0 269.388 3.787 10 0 CHAERN CCc1onc(C)c1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248428424 334301386 /nfs/dbraw/zinc/30/13/86/334301386.db2.gz PDPSKTOPWPOUOZ-CYZMBNFOSA-N 0 0 291.395 3.588 10 0 CHAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@H]21)C(C)(C)C ZINC000248435561 334301647 /nfs/dbraw/zinc/30/16/47/334301647.db2.gz RSCRWBWQTOGQFD-YIYPIFLZSA-N 0 0 266.429 3.641 10 0 CHAERN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000248471817 334303433 /nfs/dbraw/zinc/30/34/33/334303433.db2.gz JFTHCHNHQOLICJ-FIXISWKDSA-N 0 0 296.361 3.856 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC(C)(C)C1 ZINC000248619642 334309394 /nfs/dbraw/zinc/30/93/94/334309394.db2.gz XRVZIQMMOPIZBC-JKJDWNRSSA-N 0 0 293.451 3.523 10 0 CHAERN CCCC[C@H](CC)CN1CCO[C@@H](c2nccs2)C1 ZINC000248872483 334320108 /nfs/dbraw/zinc/32/01/08/334320108.db2.gz KVCQCNZZHBBXBA-UONOGXRCSA-N 0 0 282.453 3.733 10 0 CHAERN CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CCCO[C@@H]1C ZINC000249391025 334333122 /nfs/dbraw/zinc/33/31/22/334333122.db2.gz FZHIVXDDTBCDHR-OWCLPIDISA-N 0 0 281.440 3.619 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000251335585 334359940 /nfs/dbraw/zinc/35/99/40/334359940.db2.gz LTNJXCVKKZQUKK-HZMVEIRTSA-N 0 0 295.467 3.745 10 0 CHAERN CN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc(Cl)cn1 ZINC000155073129 334712513 /nfs/dbraw/zinc/71/25/13/334712513.db2.gz LYTUFMHHJLCDDQ-KGLIPLIRSA-N 0 0 292.810 3.914 10 0 CHAERN CCCN(C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000155427686 334721252 /nfs/dbraw/zinc/72/12/52/334721252.db2.gz WPDCLYSFSNWXRH-AWEZNQCLSA-N 0 0 292.423 3.834 10 0 CHAERN CC(C)N(C(=O)[C@H]1CC[C@@H](C)O1)c1ccc(F)cc1Cl ZINC000155495791 334722462 /nfs/dbraw/zinc/72/24/62/334722462.db2.gz IIBCBWHALUVUGW-QMTHXVAHSA-N 0 0 299.773 3.788 10 0 CHAERN C[C@H](Nc1ccc(OC(F)F)cn1)c1cccs1 ZINC000271231422 334742274 /nfs/dbraw/zinc/74/22/74/334742274.db2.gz FTPIXDGETUUDBX-QMMMGPOBSA-N 0 0 270.304 3.918 10 0 CHAERN c1cnn(Cc2ccc(N[C@@H]3CCC[C@H]4C[C@H]43)cc2)c1 ZINC000312644842 334751167 /nfs/dbraw/zinc/75/11/67/334751167.db2.gz UDNDNPUHERQQHF-USXIJHARSA-N 0 0 267.376 3.532 10 0 CHAERN CC(C)n1nccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159042015 334818804 /nfs/dbraw/zinc/81/88/04/334818804.db2.gz SAPODONPIFWFHW-ZIAGYGMSSA-N 0 0 275.396 3.619 10 0 CHAERN Cc1ccnn1-c1ccccc1N[C@@H](C)c1cncc(F)c1 ZINC000184467436 335926718 /nfs/dbraw/zinc/92/67/18/335926718.db2.gz NOHXNAIQYTXQTP-ZDUSSCGKSA-N 0 0 296.349 3.888 10 0 CHAERN COC(C)(C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000380677508 336015781 /nfs/dbraw/zinc/01/57/81/336015781.db2.gz OYGLDLPNQYQULX-SECBINFHSA-N 0 0 261.287 3.931 10 0 CHAERN Cc1cnn([C@@H]2CCCN(Cc3sccc3Cl)C2)c1 ZINC000194389152 336019471 /nfs/dbraw/zinc/01/94/71/336019471.db2.gz HIDYBSMOPRKKNX-GFCCVEGCSA-N 0 0 295.839 3.744 10 0 CHAERN Cc1ccccc1CSCc1nnc(C(C)C)n1C ZINC000194649597 336035725 /nfs/dbraw/zinc/03/57/25/336035725.db2.gz PNKZNXSYYXVJJI-UHFFFAOYSA-N 0 0 275.421 3.680 10 0 CHAERN CC(C)c1nnc(CSc2ccccc2Cl)n1C ZINC000194657194 336036129 /nfs/dbraw/zinc/03/61/29/336036129.db2.gz DOYHYQXMUUNQAI-UHFFFAOYSA-N 0 0 281.812 3.884 10 0 CHAERN CC(C)C[C@@H](C)N(C)C(=O)c1cc(Cl)ccc1O ZINC000055482325 519772372 /nfs/dbraw/zinc/77/23/72/519772372.db2.gz CFSJARRLXAGJLI-SNVBAGLBSA-N 0 0 269.772 3.552 10 0 CHAERN CCCNc1snnc1COc1c(C)cccc1C ZINC000050830608 520204543 /nfs/dbraw/zinc/20/45/43/520204543.db2.gz NBTUNIZQKZCZQZ-UHFFFAOYSA-N 0 0 277.393 3.556 10 0 CHAERN CCCc1nc(N(C)[C@H]2CCCC[C@@H]2C)sc1CO ZINC000055004398 521529186 /nfs/dbraw/zinc/52/91/86/521529186.db2.gz SQLRXKHYZYZMRU-AAEUAGOBSA-N 0 0 282.453 3.603 10 0 CHAERN CCCc1nc(N)sc1Cc1cc(F)ccc1C ZINC000050266467 521531055 /nfs/dbraw/zinc/53/10/55/521531055.db2.gz WDUZKVUPEQONAO-UHFFFAOYSA-N 0 0 264.369 3.716 10 0 CHAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc2c1OCC(=O)N2 ZINC000329545813 533730326 /nfs/dbraw/zinc/73/03/26/533730326.db2.gz ZROJYFMNIXFWKO-GHMZBOCLSA-N 0 0 274.364 3.904 10 0 CHAERN CCc1nc(N(CC)C2CCCCC2)sc1C=O ZINC000054967092 522381646 /nfs/dbraw/zinc/38/16/46/522381646.db2.gz SWNWBCVPONSCMK-UHFFFAOYSA-N 0 0 266.410 3.677 10 0 CHAERN CCc1nc(N2CCC[C@H]2C2CCCC2)sc1C=O ZINC000054967607 522385362 /nfs/dbraw/zinc/38/53/62/522385362.db2.gz ZFRPZKGPEWOYGD-ZDUSSCGKSA-N 0 0 278.421 3.677 10 0 CHAERN COC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 ZINC000504652433 533936398 /nfs/dbraw/zinc/93/63/98/533936398.db2.gz UACKQZLDMVNEIR-UHFFFAOYSA-N 0 0 278.377 3.698 10 0 CHAERN C[C@@H]1C[C@H]1[C@H](Nc1cc(Cl)nc(N)n1)c1ccccc1 ZINC000301270846 534046596 /nfs/dbraw/zinc/04/65/96/534046596.db2.gz HNMGTPLWHKRSSX-GLXFQSAKSA-N 0 0 288.782 3.521 10 0 CHAERN CCc1ccc(C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000041407572 517846669 /nfs/dbraw/zinc/84/66/69/517846669.db2.gz ZEKNRUUUDQFAOO-QGZVFWFLSA-N 0 0 272.363 3.782 10 0 CHAERN C[C@@H](O)c1ccc(N2CCc3sccc3[C@H]2C)cc1 ZINC000042772655 518178654 /nfs/dbraw/zinc/17/86/54/518178654.db2.gz HUZYWSYFGJYUSQ-VXGBXAGGSA-N 0 0 273.401 3.925 10 0 CHAERN CC(=O)c1sc(C2(c3ccccc3)CC2)nc1C ZINC000062781964 518495259 /nfs/dbraw/zinc/49/52/59/518495259.db2.gz APOUBMGSPRVWMU-UHFFFAOYSA-N 0 0 257.358 3.734 10 0 CHAERN CC(=O)c1sc(N(CC(C)C)C(C)C)nc1C ZINC000054863592 518496303 /nfs/dbraw/zinc/49/63/03/518496303.db2.gz LMVFPSPSTPSVGX-UHFFFAOYSA-N 0 0 254.399 3.525 10 0 CHAERN C/C=C/COCc1cc2ccc(OC)cc2nc1Cl ZINC000051173684 518517531 /nfs/dbraw/zinc/51/75/31/518517531.db2.gz SPQJBSXQTVTENX-ONEGZZNKSA-N 0 0 277.751 3.990 10 0 CHAERN CC(C)(C)OC(=O)n1cc(Cl)c2nc(Cl)ncc21 ZINC000299888985 518862207 /nfs/dbraw/zinc/86/22/07/518862207.db2.gz BMXQHDCDSDTOQG-UHFFFAOYSA-N 0 0 288.134 3.521 10 0 CHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000191660318 519383161 /nfs/dbraw/zinc/38/31/61/519383161.db2.gz QBVYFXWGRHIYKV-INIZCTEOSA-N 0 0 287.403 3.576 10 0 CHAERN CC(=O)Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000062770023 519438011 /nfs/dbraw/zinc/43/80/11/519438011.db2.gz UKFHCZWRQYEYLH-UHFFFAOYSA-N 0 0 252.672 3.871 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NCc2csnn2)cc1 ZINC000036954635 519451201 /nfs/dbraw/zinc/45/12/01/519451201.db2.gz KMFXCCCCSAJOMU-LBPRGKRZSA-N 0 0 275.421 3.587 10 0 CHAERN CC(C)OCCSc1ccc(C(F)(F)F)cc1N ZINC000049259784 519769988 /nfs/dbraw/zinc/76/99/88/519769988.db2.gz YJWADAAKTYNZMR-UHFFFAOYSA-N 0 0 279.327 3.805 10 0 CHAERN CC(C)c1nnc(N[C@@H]2CCOc3ccccc32)s1 ZINC000269343638 519890718 /nfs/dbraw/zinc/89/07/18/519890718.db2.gz HRLCHOQASDTAAW-LLVKDONJSA-N 0 0 275.377 3.597 10 0 CHAERN CCN(C(=O)CC1CCCCC1)c1ccccc1N ZINC000050453609 519903042 /nfs/dbraw/zinc/90/30/42/519903042.db2.gz CFVQBLQREWCBFR-UHFFFAOYSA-N 0 0 260.381 3.592 10 0 CHAERN CC(C)c1nsc(NCCCCC(F)(F)F)n1 ZINC000128957372 519912889 /nfs/dbraw/zinc/91/28/89/519912889.db2.gz SPUKQGWTEXGPNU-UHFFFAOYSA-N 0 0 267.320 3.806 10 0 CHAERN CCCNc1ccccc1C(=O)N(CCC)C(C)C ZINC000050748247 520175810 /nfs/dbraw/zinc/17/58/10/520175810.db2.gz BHKVFQJITXFTDA-UHFFFAOYSA-N 0 0 262.397 3.769 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2c(C)cccc12 ZINC000050870876 520265732 /nfs/dbraw/zinc/26/57/32/520265732.db2.gz JMCWAWUJYBFRNT-UHFFFAOYSA-N 0 0 254.255 3.994 10 0 CHAERN CCNc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)C(C)C ZINC000050754962 520311664 /nfs/dbraw/zinc/31/16/64/520311664.db2.gz QVZKVNZUWMCELN-NSHDSACASA-N 0 0 282.815 3.888 10 0 CHAERN CCNc1nc(-c2ccc(C)cc2C)nc(C)c1C ZINC000050865982 520349715 /nfs/dbraw/zinc/34/97/15/520349715.db2.gz KETAFIGHFADJCU-UHFFFAOYSA-N 0 0 255.365 3.809 10 0 CHAERN c1ccc(N2CC[C@@H](Nc3nc4ccccc4o3)C2)cc1 ZINC000301207498 534496315 /nfs/dbraw/zinc/49/63/15/534496315.db2.gz UFFXRRCOBYGDQB-CYBMUJFWSA-N 0 0 279.343 3.519 10 0 CHAERN CCN(CC)C(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000052684485 520519559 /nfs/dbraw/zinc/51/95/59/520519559.db2.gz SQLSXICYXKMBEH-SECBINFHSA-N 0 0 289.206 3.662 10 0 CHAERN CCCCN(c1nc(Cl)nc(Cl)n1)[C@H](C)CC ZINC000061518882 520554972 /nfs/dbraw/zinc/55/49/72/520554972.db2.gz YVXFFYIXIJOHCS-MRVPVSSYSA-N 0 0 277.199 3.583 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000062751687 520829631 /nfs/dbraw/zinc/82/96/31/520829631.db2.gz VVOQYCKUJWOMBA-GBJTYRQASA-N 0 0 269.429 3.634 10 0 CHAERN CCC[C@@](C)([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000049527875 520927313 /nfs/dbraw/zinc/92/73/13/520927313.db2.gz YUNMGQMNZHITFO-QMTHXVAHSA-N 0 0 269.772 3.634 10 0 CHAERN CCC(C)(C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103127968 521269449 /nfs/dbraw/zinc/26/94/49/521269449.db2.gz RIWVMQYELZIVDW-UHFFFAOYSA-N 0 0 272.392 3.571 10 0 CHAERN CCC[C@](C)([NH2+][C@@H](c1cccs1)C(C)C)C(=O)[O-] ZINC000049562247 521286203 /nfs/dbraw/zinc/28/62/03/521286203.db2.gz DSVJVBMYOZXCIU-OCCSQVGLSA-N 0 0 269.410 3.678 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2ccsc2)[nH]1 ZINC000088399253 521300062 /nfs/dbraw/zinc/30/00/62/521300062.db2.gz DNHYDYAGOHTGRN-UHFFFAOYSA-N 0 0 283.828 3.757 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000084201804 521393417 /nfs/dbraw/zinc/39/34/17/521393417.db2.gz PMIKSCOQIQESKW-IAGOWNOFSA-N 0 0 286.419 3.647 10 0 CHAERN CCOc1cccc(NCc2cc(C)n(C)c2C)c1 ZINC000052790347 521398343 /nfs/dbraw/zinc/39/83/43/521398343.db2.gz VRDGOHFUDGUKAX-UHFFFAOYSA-N 0 0 258.365 3.653 10 0 CHAERN CCOc1cccc([C@@H](O)c2ccc(C)c(C)c2)c1 ZINC000053303713 521413856 /nfs/dbraw/zinc/41/38/56/521413856.db2.gz ZHALYYVTAWIPPF-QGZVFWFLSA-N 0 0 256.345 3.784 10 0 CHAERN CCCc1nc2sc3c(c2c(NC)n1)CCCC3 ZINC000050841713 521544932 /nfs/dbraw/zinc/54/49/32/521544932.db2.gz GLGBTWXJLASQGQ-UHFFFAOYSA-N 0 0 261.394 3.564 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](C)c1cc(C)sc1C ZINC000049509957 521569540 /nfs/dbraw/zinc/56/95/40/521569540.db2.gz JREIEWWWFLMGIG-VIFPVBQESA-N 0 0 281.450 3.807 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](CC)c1cccs1 ZINC000049531465 521570111 /nfs/dbraw/zinc/57/01/11/521570111.db2.gz ZERXBKOHYLGORF-SECBINFHSA-N 0 0 267.423 3.580 10 0 CHAERN COCCc1ccc(OCc2ccnc(Cl)c2)cc1 ZINC000052725944 522012196 /nfs/dbraw/zinc/01/21/96/522012196.db2.gz MMOGFMYOHOMCBM-UHFFFAOYSA-N 0 0 277.751 3.503 10 0 CHAERN CCc1nc(CN2CCC[C@H](c3nccs3)C2)cs1 ZINC000156997565 522308189 /nfs/dbraw/zinc/30/81/89/522308189.db2.gz ZQDGEZQLLLXCOL-NSHDSACASA-N 0 0 293.461 3.542 10 0 CHAERN CCc1nc2cc(Br)cc(CC)c2o1 ZINC000062536943 522480211 /nfs/dbraw/zinc/48/02/11/522480211.db2.gz JBBRUFBDCYNHMV-UHFFFAOYSA-N 0 0 254.127 3.715 10 0 CHAERN CC[C@H](NC(=O)c1cc(Cl)ccc1NC)C(C)C ZINC000050777042 522524735 /nfs/dbraw/zinc/52/47/35/522524735.db2.gz WWBBODWJLYXKTC-LBPRGKRZSA-N 0 0 268.788 3.546 10 0 CHAERN CCc1nc2scc(-c3ccccc3)c2c(NC)n1 ZINC000050841908 522540372 /nfs/dbraw/zinc/54/03/72/522540372.db2.gz HBQLQSVQMGXVRH-UHFFFAOYSA-N 0 0 269.373 3.962 10 0 CHAERN CC[C@H](NC(=O)c1cscc1Br)C(C)C ZINC000285171860 522550709 /nfs/dbraw/zinc/55/07/09/522550709.db2.gz UDDZPUZRDAGVAP-JTQLQIEISA-N 0 0 290.226 3.675 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(F)cc(C)cc12 ZINC000050870344 522564775 /nfs/dbraw/zinc/56/47/75/522564775.db2.gz GYFJBHLLBDGPRU-UHFFFAOYSA-N 0 0 258.218 3.743 10 0 CHAERN COc1cc(F)cc2c(Cl)c3c(nc12)CCC3 ZINC000049570215 522598238 /nfs/dbraw/zinc/59/82/38/522598238.db2.gz QNNRNRUBQCWDOF-UHFFFAOYSA-N 0 0 251.688 3.525 10 0 CHAERN CNc1ccc(Cl)c(CO[C@@H]2CCC[C@H](C)C2)n1 ZINC000061640390 522625262 /nfs/dbraw/zinc/62/52/62/522625262.db2.gz UWKYRYAQOVOJDQ-WDEREUQCSA-N 0 0 268.788 3.872 10 0 CHAERN CNc1nc(Cc2ccc(F)cc2Cl)nc(C)c1C ZINC000062608820 522686517 /nfs/dbraw/zinc/68/65/17/522686517.db2.gz YRDURQVZTPYLOF-UHFFFAOYSA-N 0 0 279.746 3.518 10 0 CHAERN COCc1cc(Cl)nc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000051700326 522926665 /nfs/dbraw/zinc/92/66/65/522926665.db2.gz WKVIRCOGDJACTC-NXEZZACHSA-N 0 0 254.761 3.570 10 0 CHAERN CC[C@@H](O)c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000054723664 523011942 /nfs/dbraw/zinc/01/19/42/523011942.db2.gz JREQKTXSJYMQMJ-CQSZACIVSA-N 0 0 278.783 3.645 10 0 CHAERN COc1ccc(-c2cc(Cl)ccc2OC)cc1N ZINC000049591116 523109561 /nfs/dbraw/zinc/10/95/61/523109561.db2.gz JWLFQSVTMKSPNW-UHFFFAOYSA-N 0 0 263.724 3.606 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1cc(C)nc(Cl)n1 ZINC000052813856 523207952 /nfs/dbraw/zinc/20/79/52/523207952.db2.gz FJODYUXAZJIPFM-MNOVXSKESA-N 0 0 254.761 3.786 10 0 CHAERN COCCCN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000111308416 523305735 /nfs/dbraw/zinc/30/57/35/523305735.db2.gz BZFZNYQFWAVZDH-HNNXBMFYSA-N 0 0 297.826 3.528 10 0 CHAERN CC[C@H](C)N(CC)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861994 523935160 /nfs/dbraw/zinc/93/51/60/523935160.db2.gz DODCIMCAJVUDGC-JTQLQIEISA-N 0 0 280.437 3.923 10 0 CHAERN CCc1ccc(CNc2ccc3nccnc3c2)s1 ZINC000051718503 523949423 /nfs/dbraw/zinc/94/94/23/523949423.db2.gz ICBBWPYVJUEYQW-UHFFFAOYSA-N 0 0 269.373 3.866 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)CSC)o1 ZINC000128268416 524035432 /nfs/dbraw/zinc/03/54/32/524035432.db2.gz AIHYCGHVERUZGV-JSGCOSHPSA-N 0 0 295.448 3.895 10 0 CHAERN CCc1ccc([C@H](O)[C@H](C)Oc2ccccc2)cc1 ZINC000055352077 524051767 /nfs/dbraw/zinc/05/17/67/524051767.db2.gz OXPSIZAULXWQNK-SUMWQHHRSA-N 0 0 256.345 3.750 10 0 CHAERN Cc1cc(C(=O)NCCc2c[nH]c3cccc(C)c23)c(C)o1 ZINC000103129159 524084000 /nfs/dbraw/zinc/08/40/00/524084000.db2.gz LQKFXWXHKVFRIR-UHFFFAOYSA-N 0 0 296.370 3.659 10 0 CHAERN COc1ccc(Cl)c2c(N)c(C(C)C)c(C)nc12 ZINC000061687732 524189334 /nfs/dbraw/zinc/18/93/34/524189334.db2.gz BGBGVBOHYOLLIT-UHFFFAOYSA-N 0 0 264.756 3.911 10 0 CHAERN Cc1ccc(CC(=O)C2(c3ccccc3)CC2)cc1 ZINC000061618136 524245505 /nfs/dbraw/zinc/24/55/05/524245505.db2.gz YAUAECKPQVYWHH-UHFFFAOYSA-N 0 0 250.341 3.838 10 0 CHAERN Cc1cccc(C)c1OCCNc1ccccc1F ZINC000053564274 524316606 /nfs/dbraw/zinc/31/66/06/524316606.db2.gz YBFXZCRVMSNJNP-UHFFFAOYSA-N 0 0 259.324 3.933 10 0 CHAERN Cc1cc(C)c([C@H](O)COc2ccccc2)c(C)c1 ZINC000055352137 524335865 /nfs/dbraw/zinc/33/58/65/524335865.db2.gz ZPASLEVPWPMQQG-MRXNPFEDSA-N 0 0 256.345 3.724 10 0 CHAERN C[C@H](CNc1nnc(C(F)(F)F)s1)c1ccsc1 ZINC000155217931 524514723 /nfs/dbraw/zinc/51/47/23/524514723.db2.gz MHFCYQGTNWLPNF-ZCFIWIBFSA-N 0 0 293.339 3.834 10 0 CHAERN Cc1cc(C)nc(N[C@@H](c2cccs2)C(C)C)n1 ZINC000049558349 524595384 /nfs/dbraw/zinc/59/53/84/524595384.db2.gz DVEMGFVDKUAHTJ-CYBMUJFWSA-N 0 0 261.394 3.964 10 0 CHAERN Cc1csc(CN(C)c2ccc(C(F)(F)F)cn2)n1 ZINC000301257051 534805070 /nfs/dbraw/zinc/80/50/70/534805070.db2.gz BSEMGCSFOBUJBD-UHFFFAOYSA-N 0 0 287.310 3.502 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)CCCCc1nc2ccccc2s1 ZINC000075525827 524958961 /nfs/dbraw/zinc/95/89/61/524958961.db2.gz ZTYHODCUEFYYNI-WCQYABFASA-N 0 0 288.416 3.534 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CC[C@H]2CCCC[C@H]21 ZINC000125731544 524966054 /nfs/dbraw/zinc/96/60/54/524966054.db2.gz VSQBFZWEFVMVKR-IUODEOHRSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H](N(C)c1ccc(C(N)=S)cc1Cl)C(C)(C)C ZINC000062795851 524985797 /nfs/dbraw/zinc/98/57/97/524985797.db2.gz GBSHHFUBRSVNFO-SECBINFHSA-N 0 0 284.856 3.845 10 0 CHAERN Cc1cc(N(C)Cc2ccc(Cl)cc2)nc(Cl)n1 ZINC000052814493 525029218 /nfs/dbraw/zinc/02/92/18/525029218.db2.gz XYGZKNUYDOGRGD-UHFFFAOYSA-N 0 0 282.174 3.728 10 0 CHAERN Cc1cc(N2CC[C@H]3CCCC[C@H]32)ncc1Br ZINC000228339852 525094722 /nfs/dbraw/zinc/09/47/22/525094722.db2.gz GNNNDIRAHXRYRN-DGCLKSJQSA-N 0 0 295.224 3.921 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(F)c1 ZINC000117566385 525225938 /nfs/dbraw/zinc/22/59/38/525225938.db2.gz AEVCSXYMVHICNO-ZBEGNZNMSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(NC(=S)NCC[C@@H]2CCCO2)cc1Cl ZINC000055353139 525267440 /nfs/dbraw/zinc/26/74/40/525267440.db2.gz DEYBAHBCWQLIQI-LBPRGKRZSA-N 0 0 298.839 3.504 10 0 CHAERN C[C@@H]1C[C@@H](OCCCCC(N)=S)CC(C)(C)C1 ZINC000049583123 525285079 /nfs/dbraw/zinc/28/50/79/525285079.db2.gz GZIYVCKDZPVUNM-VXGBXAGGSA-N 0 0 257.443 3.674 10 0 CHAERN Cc1ccccc1[C@@H](C)n1c(=S)[nH]nc1C(C)C ZINC000049526416 525364915 /nfs/dbraw/zinc/36/49/15/525364915.db2.gz PEYGRVKUDMCGQJ-LLVKDONJSA-N 0 0 261.394 3.982 10 0 CHAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109079753 525377822 /nfs/dbraw/zinc/37/78/22/525377822.db2.gz KZJGKCPXWKPXNU-ZMJPVWNMSA-N 0 0 293.357 3.573 10 0 CHAERN Cc1cc([C@@H](O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000055203281 525483225 /nfs/dbraw/zinc/48/32/25/525483225.db2.gz KOEOWZJQDYTJLQ-CQSZACIVSA-N 0 0 270.225 3.633 10 0 CHAERN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000333407933 534865022 /nfs/dbraw/zinc/86/50/22/534865022.db2.gz GLZSQWCRTYYEKQ-TVQRCGJNSA-N 0 0 287.388 3.648 10 0 CHAERN C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1ccsc1 ZINC000050341877 525651515 /nfs/dbraw/zinc/65/15/15/525651515.db2.gz MEHJKUGIZMKJSH-QMMMGPOBSA-N 0 0 280.780 3.674 10 0 CHAERN Cc1ccc(SCc2ccnc(Cl)c2)c(N)c1 ZINC000052709177 525664150 /nfs/dbraw/zinc/66/41/50/525664150.db2.gz IAMGXMQJHNFBLF-UHFFFAOYSA-N 0 0 264.781 3.918 10 0 CHAERN Cc1ccc(S[C@@H](C)CNCC(F)(F)F)cc1 ZINC000053605148 525666649 /nfs/dbraw/zinc/66/66/49/525666649.db2.gz BCOACBAMQFFACO-JTQLQIEISA-N 0 0 263.328 3.628 10 0 CHAERN Cc1cc2[nH]c(Nc3ccc(C(=O)[O-])cc3)[nH+]c2cc1C ZINC000057351785 525677191 /nfs/dbraw/zinc/67/71/91/525677191.db2.gz GXNVVEKXOWXJQS-UHFFFAOYSA-N 0 0 281.315 3.622 10 0 CHAERN C[C@H](Nc1ncc(Br)cc1Cl)C1CC1 ZINC000235524512 525681753 /nfs/dbraw/zinc/68/17/53/525681753.db2.gz QSVVPNSEBUCHMD-LURJTMIESA-N 0 0 275.577 3.708 10 0 CHAERN COc1ccc2oc([C@@H](N)c3ccsc3)c(C)c2c1 ZINC000050339762 525689907 /nfs/dbraw/zinc/68/99/07/525689907.db2.gz YNQQRRJCKLYUBV-AWEZNQCLSA-N 0 0 273.357 3.859 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CCO[C@H](C)CC(C)C)o1 ZINC000087104781 525692648 /nfs/dbraw/zinc/69/26/48/525692648.db2.gz XMUOAEJJTWQTAR-ZIAGYGMSSA-N 0 0 281.396 3.607 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)c2c(C)noc2C)o1 ZINC000130607641 525697909 /nfs/dbraw/zinc/69/79/09/525697909.db2.gz ZUVOUYUMCYXJQF-MWLCHTKSSA-N 0 0 290.363 3.564 10 0 CHAERN C[C@@H](Nc1ccc(N)cn1)c1cccc(Br)c1 ZINC000049564130 525707435 /nfs/dbraw/zinc/70/74/35/525707435.db2.gz NFYYISWKOGCQDA-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccoc1-c1noc(N)c1-c1ccc(C)cc1 ZINC000055332933 525777338 /nfs/dbraw/zinc/77/73/38/525777338.db2.gz UGHFZXLPFUTGQQ-UHFFFAOYSA-N 0 0 254.289 3.801 10 0 CHAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000246959073 525836732 /nfs/dbraw/zinc/83/67/32/525836732.db2.gz DJSJXZJTAJSGCX-RWMBFGLXSA-N 0 0 296.436 3.622 10 0 CHAERN C[C@H](O)c1ccc(-n2ncc3ccccc32)c(Cl)c1 ZINC000061697265 525851366 /nfs/dbraw/zinc/85/13/66/525851366.db2.gz DSFMRFCMNQNLNA-JTQLQIEISA-N 0 0 272.735 3.732 10 0 CHAERN C[C@@H](O)c1ccc(F)cc1OCc1ccccc1F ZINC000062749261 525867698 /nfs/dbraw/zinc/86/76/98/525867698.db2.gz FHBMPZVEMPPVDG-SNVBAGLBSA-N 0 0 264.271 3.597 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N([C@@H](C)C(C)C)C2CC2)o1 ZINC000121326295 525893926 /nfs/dbraw/zinc/89/39/26/525893926.db2.gz VALHDNBIEBFKPW-STQMWFEESA-N 0 0 278.396 3.868 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2coc3ccccc23)o1 ZINC000113148391 525915074 /nfs/dbraw/zinc/91/50/74/525915074.db2.gz AOYPWTQZKFDMEW-NSHDSACASA-N 0 0 269.300 3.825 10 0 CHAERN Cc1ccc(Br)c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000126416674 525979311 /nfs/dbraw/zinc/97/93/11/525979311.db2.gz UXOVYMXDRJMEPD-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN CSc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085628711 526044795 /nfs/dbraw/zinc/04/47/95/526044795.db2.gz FBYFBTURLGSHCN-IHRRRGAJSA-N 0 0 263.406 3.634 10 0 CHAERN Cc1cc(-c2nc(C(C)C)sc2N)ccc1F ZINC000050544592 526051996 /nfs/dbraw/zinc/05/19/96/526051996.db2.gz ZDVGKLMLRPKCMU-UHFFFAOYSA-N 0 0 250.342 3.963 10 0 CHAERN Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)CC(C)C ZINC000036998222 526055623 /nfs/dbraw/zinc/05/56/23/526055623.db2.gz CCUPPAVPZGDPNR-CYBMUJFWSA-N 0 0 262.397 3.543 10 0 CHAERN Cc1cc(Br)ccc1OCC(=O)c1ccco1 ZINC000070141314 526172437 /nfs/dbraw/zinc/17/24/37/526172437.db2.gz LVGQDTJXXIUPFS-UHFFFAOYSA-N 0 0 295.132 3.612 10 0 CHAERN Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)C2 ZINC000263057139 526210022 /nfs/dbraw/zinc/21/00/22/526210022.db2.gz LVNDQMVLJICINF-YSVLISHTSA-N 0 0 289.419 3.565 10 0 CHAERN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)co1 ZINC000189635130 526262032 /nfs/dbraw/zinc/26/20/32/526262032.db2.gz JKHAWZVXQBDGAD-INIZCTEOSA-N 0 0 299.370 3.580 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1Cl)CC1CCOCC1 ZINC000053784145 526295662 /nfs/dbraw/zinc/29/56/62/526295662.db2.gz FUKGAPPQAQGRPC-ZDUSSCGKSA-N 0 0 289.202 3.714 10 0 CHAERN Cc1csc(Cc2nc(C)c(C(C)C)c(Cl)n2)n1 ZINC000061689146 526368436 /nfs/dbraw/zinc/36/84/36/526368436.db2.gz YAMCLLKHXISSFP-UHFFFAOYSA-N 0 0 281.812 3.918 10 0 CHAERN c1cc2c(ccnc2N[C@H]2CCc3ccccc32)o1 ZINC000156735969 526442488 /nfs/dbraw/zinc/44/24/88/526442488.db2.gz FORWNNCNLIKEPY-AWEZNQCLSA-N 0 0 250.301 3.927 10 0 CHAERN c1ccc2oc(N[C@@H]3CCOc4ccccc43)nc2c1 ZINC000042848005 526520051 /nfs/dbraw/zinc/52/00/51/526520051.db2.gz APMDTNABBFVYPB-GFCCVEGCSA-N 0 0 266.300 3.764 10 0 CHAERN c1cnn(Cc2ccccc2NCC2CCCC2)c1 ZINC000050271676 526557536 /nfs/dbraw/zinc/55/75/36/526557536.db2.gz XKJXHKCVMRSGDM-UHFFFAOYSA-N 0 0 255.365 3.534 10 0 CHAERN c1csc(-c2n[nH]c(-c3ccc4c(c3)CCC4)n2)c1 ZINC000054700003 526574126 /nfs/dbraw/zinc/57/41/26/526574126.db2.gz UWLBKRZBHCRDSW-UHFFFAOYSA-N 0 0 267.357 3.689 10 0 CHAERN O=C(c1ccc(F)cc1)c1cccc2cnccc21 ZINC000061123561 526691190 /nfs/dbraw/zinc/69/11/90/526691190.db2.gz JNXINEUGHOXMIM-UHFFFAOYSA-N 0 0 251.260 3.605 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2cc(N)cc(F)c2)s1 ZINC000049533765 526747646 /nfs/dbraw/zinc/74/76/46/526747646.db2.gz MINOAYSFEIYMKO-MRVPVSSYSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(N(C)[C@H](C)c2cccs2)sc1[C@@H](C)O ZINC000054927888 526951952 /nfs/dbraw/zinc/95/19/52/526951952.db2.gz CGNWSDICPSIKLO-NXEZZACHSA-N 0 0 282.434 3.764 10 0 CHAERN Cc1nc(N(Cc2cccs2)C(C)C)sc1C=O ZINC000054966924 526952597 /nfs/dbraw/zinc/95/25/97/526952597.db2.gz GUUCWGULXGQOMV-UHFFFAOYSA-N 0 0 280.418 3.741 10 0 CHAERN Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@H](C)O ZINC000054911496 526963472 /nfs/dbraw/zinc/96/34/72/526963472.db2.gz UXGDNCOQSGCQOM-NSHDSACASA-N 0 0 282.453 3.767 10 0 CHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccoc1Cl ZINC000192395414 527032328 /nfs/dbraw/zinc/03/23/28/527032328.db2.gz NYTNPSDEBOUPSH-SFYZADRCSA-N 0 0 295.688 3.784 10 0 CHAERN Cc1nc([C@@H](C)N[C@H]2CCc3ccccc32)cs1 ZINC000036915313 527034794 /nfs/dbraw/zinc/03/47/94/527034794.db2.gz KMFPOOLBLYKESX-YGRLFVJLSA-N 0 0 258.390 3.790 10 0 CHAERN O=Cc1ccc(Oc2cccc(F)c2F)c(F)c1 ZINC000062615746 527150444 /nfs/dbraw/zinc/15/04/44/527150444.db2.gz WMCDVJILHHXBLM-UHFFFAOYSA-N 0 0 252.191 3.709 10 0 CHAERN O=C(Nc1ccsc1)N1CCC[C@@H]1c1ccco1 ZINC000157179689 527467734 /nfs/dbraw/zinc/46/77/34/527467734.db2.gz JYAJZSDWTKMIBF-LLVKDONJSA-N 0 0 262.334 3.710 10 0 CHAERN Nc1ccc(Cl)cc1-c1nc(Cc2cccs2)no1 ZINC000052899637 527486824 /nfs/dbraw/zinc/48/68/24/527486824.db2.gz NRXTWBIEHRBIGH-UHFFFAOYSA-N 0 0 291.763 3.625 10 0 CHAERN Nc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(F)cc1 ZINC000052842904 527507870 /nfs/dbraw/zinc/50/78/70/527507870.db2.gz AHWWQXPNMFKHQP-UHFFFAOYSA-N 0 0 295.239 3.766 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2-c1cccc(F)c1 ZINC000052842766 527507916 /nfs/dbraw/zinc/50/79/16/527507916.db2.gz FDCMCXDVIWZSRV-UHFFFAOYSA-N 0 0 267.307 3.624 10 0 CHAERN Nc1cccc(Cn2cc(Cl)c3ccccc32)c1 ZINC000055310046 527518370 /nfs/dbraw/zinc/51/83/70/527518370.db2.gz AUODKKRMFWWHTN-UHFFFAOYSA-N 0 0 256.736 3.925 10 0 CHAERN OCCCCCNc1ccccc1SC(F)F ZINC000051020608 527536677 /nfs/dbraw/zinc/53/66/77/527536677.db2.gz UBLUBFUEBKOQDX-UHFFFAOYSA-N 0 0 261.337 3.576 10 0 CHAERN Nc1cscc1-c1ccc(Br)cc1 ZINC000049840355 527540197 /nfs/dbraw/zinc/54/01/97/527540197.db2.gz NCKFQNWLDCARRC-UHFFFAOYSA-N 0 0 254.152 3.760 10 0 CHAERN O=C(NCCC1=CCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000131099220 527621829 /nfs/dbraw/zinc/62/18/29/527621829.db2.gz HSHWWZCNAQEFCV-KBPBESRZSA-N 0 0 291.341 3.685 10 0 CHAERN O[C@@H](c1ccccc1F)C1(c2ccccc2)CCC1 ZINC000062780912 527667155 /nfs/dbraw/zinc/66/71/55/527667155.db2.gz BNZXZCHCUMSFQG-INIZCTEOSA-N 0 0 256.320 3.981 10 0 CHAERN FC(F)(F)[C@@H]1CCC[C@H](Nc2cncc(Cl)n2)C1 ZINC000267164358 527677805 /nfs/dbraw/zinc/67/78/05/527677805.db2.gz AVPYSTYHYWYTOG-SFYZADRCSA-N 0 0 279.693 3.663 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c2ncccc12 ZINC000087408386 527700351 /nfs/dbraw/zinc/70/03/51/527700351.db2.gz MSIDHNKLDPFKDX-LBPRGKRZSA-N 0 0 280.375 3.758 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(Cl)c1C ZINC000087406441 527700461 /nfs/dbraw/zinc/70/04/61/527700461.db2.gz VXOPJVRUOSKLLI-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN CCC(C)(C)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000190910881 528526506 /nfs/dbraw/zinc/52/65/06/528526506.db2.gz NWASGHIMMFFRPI-CVEARBPZSA-N 0 0 289.419 3.707 10 0 CHAERN Oc1cc2cccc(Br)c2nc1C1CC1 ZINC000685963180 567210548 /nfs/dbraw/zinc/21/05/48/567210548.db2.gz IMZQQOMOPTXYNX-UHFFFAOYSA-N 0 0 264.122 3.580 10 0 CHAERN CCCc1cc2nc(C3CCCC3)nn2c(Cl)c1 ZINC000725245780 567908252 /nfs/dbraw/zinc/90/82/52/567908252.db2.gz GPQHBRQOBMAAGQ-UHFFFAOYSA-N 0 0 263.772 3.993 10 0 CHAERN CC(C)n1nc(-c2cccs2)c2c1CCSC2 ZINC000409441725 570245395 /nfs/dbraw/zinc/24/53/95/570245395.db2.gz ZSSGAXLPAVZVKI-UHFFFAOYSA-N 0 0 264.419 3.982 10 0 CHAERN COC(C)(C)c1nc2c(Br)cccc2cc1O ZINC000725267515 570263171 /nfs/dbraw/zinc/26/31/71/570263171.db2.gz MXEAYTRDHWFWFN-UHFFFAOYSA-N 0 0 296.164 3.584 10 0 CHAERN Nc1c(F)ccc(-c2cccc(C(F)(F)F)n2)c1F ZINC000675058941 570365448 /nfs/dbraw/zinc/36/54/48/570365448.db2.gz DBFLIFYWVAQPGF-UHFFFAOYSA-N 0 0 274.192 3.628 10 0 CHAERN Cc1c(Br)cncc1-c1ccc(F)c(N)c1F ZINC000675059687 570365658 /nfs/dbraw/zinc/36/56/58/570365658.db2.gz UHVQNBMMSNHNAQ-UHFFFAOYSA-N 0 0 299.118 3.680 10 0 CHAERN CC1(C)CC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000521401112 570373892 /nfs/dbraw/zinc/37/38/92/570373892.db2.gz FRSUUQCOOSJMBS-ZDUSSCGKSA-N 0 0 269.182 3.847 10 0 CHAERN COC(CCSc1ccc(Br)cc1)OC ZINC000616571617 570408928 /nfs/dbraw/zinc/40/89/28/570408928.db2.gz IAKZZYHYVWIYAI-UHFFFAOYSA-N 0 0 291.210 3.550 10 0 CHAERN CC(C)c1nn2c(c1Br)NC[C@@H]1CCC[C@H]12 ZINC000232804275 570411079 /nfs/dbraw/zinc/41/10/79/570411079.db2.gz LUCSBDGVTFUGOK-DTWKUNHWSA-N 0 0 284.201 3.536 10 0 CHAERN CC(C)=CCCC1=C[C@H](c2cc(O)ccc2O)OC1 ZINC000013480287 560217280 /nfs/dbraw/zinc/21/72/80/560217280.db2.gz RLSJCCIBFMIPMJ-MRXNPFEDSA-N 0 0 260.333 3.842 10 0 in-vitro CHAERN CC(C)CN[P@@](=O)(c1ccccc1)C(C)(C)C ZINC000001506231 566903311 /nfs/dbraw/zinc/90/33/11/566903311.db2.gz YJBLYFBHHZDRIU-QGZVFWFLSA-N 0 0 253.326 3.634 10 0 CHAERN C[C@@H]1C(=O)CC[C@H]1Sc1ccc(Br)cc1 ZINC000083000426 566962356 /nfs/dbraw/zinc/96/23/56/566962356.db2.gz KXPMNMYSFJKHNL-PRHODGIISA-N 0 0 285.206 3.909 10 0 CHAERN CC(C)(C)OC(=O)CC1(ON)CC(C)(C)CC(C)(C)C1 ZINC000675055778 567020942 /nfs/dbraw/zinc/02/09/42/567020942.db2.gz XZVCQJHYJYGQCH-UHFFFAOYSA-N 0 0 285.428 3.584 10 0 CHAERN Cc1c(N)cc(-c2ccc(N)cc2)cc1C(F)(F)F ZINC000675080889 567026858 /nfs/dbraw/zinc/02/68/58/567026858.db2.gz XIRDVPCINXTDDW-UHFFFAOYSA-N 0 0 266.266 3.845 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2C[C@@H]2C2CC2)o1 ZINC000299746878 567149053 /nfs/dbraw/zinc/14/90/53/567149053.db2.gz BNERKZPRJDEXLZ-RNJOBUHISA-N 0 0 276.380 3.502 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000058826179 567217575 /nfs/dbraw/zinc/21/75/75/567217575.db2.gz RNBCEBFMAXRWLA-LLVKDONJSA-N 0 0 253.773 3.630 10 0 CHAERN CC(C)(C)c1ccc(SCCC2OCCO2)cc1 ZINC000616573447 567213411 /nfs/dbraw/zinc/21/34/11/567213411.db2.gz RTYNRUXLNXSIBT-UHFFFAOYSA-N 0 0 266.406 3.839 10 0 CHAERN Cc1ccc(OCc2nnc(-c3ccc(N)cc3)o2)cc1C ZINC000058826070 567217989 /nfs/dbraw/zinc/21/79/89/567217989.db2.gz BTBDDIBIFKSXKH-UHFFFAOYSA-N 0 0 295.342 3.515 10 0 CHAERN CC1=C(N(C)c2ccccc2)C(=O)N(C2CCCCC2)C1 ZINC000000046808 567816951 /nfs/dbraw/zinc/81/69/51/567816951.db2.gz DGZGNQVEEJKDKM-UHFFFAOYSA-N 0 0 284.403 3.572 10 0 CHAERN C[C@@]12CC=C3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000000173978 567821333 /nfs/dbraw/zinc/82/13/33/567821333.db2.gz FABGTKBXHAEVKL-XLAORIBOSA-N 0 0 270.372 3.519 10 0 CHAERN C[C@@]12CC[C@H]3c4ccc(N)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004347818 567857048 /nfs/dbraw/zinc/85/70/48/567857048.db2.gz UNBVZLXCQDVEGX-NBOOPKSLSA-N 0 0 269.388 3.694 10 0 CHAERN Cc1ccccc1NC(=O)CCc1cccc(F)c1 ZINC000010403794 567861406 /nfs/dbraw/zinc/86/14/06/567861406.db2.gz QQWOIABLYIMIBY-UHFFFAOYSA-N 0 0 257.308 3.705 10 0 CHAERN Cc1cc(Br)ccc1N[C@@H]1CCSC1 ZINC000019905570 567879633 /nfs/dbraw/zinc/87/96/33/567879633.db2.gz GPLIJWMRBHTFJO-SNVBAGLBSA-N 0 0 272.211 3.675 10 0 CHAERN CCOC(=O)c1cc(-c2cccc(Cl)c2)nnc1Cl ZINC000260079884 567884262 /nfs/dbraw/zinc/88/42/62/567884262.db2.gz QENQQKJVIJBGOG-UHFFFAOYSA-N 0 0 297.141 3.627 10 0 CHAERN COC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1 ZINC000200222223 567888851 /nfs/dbraw/zinc/88/88/51/567888851.db2.gz ANLCYVBLGKEYIX-UHFFFAOYSA-N 0 0 286.488 3.988 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1[C@@H](C)CC[C@@H]2C ZINC000725259950 567917162 /nfs/dbraw/zinc/91/71/62/567917162.db2.gz KWAAMFOZMRQEHQ-YUMQZZPRSA-N 0 0 253.729 3.522 10 0 CHAERN C[C@@H]1C[C@@H](C)CN(c2cc(N)ccc2C(F)(F)F)C1 ZINC000725263565 567922961 /nfs/dbraw/zinc/92/29/61/567922961.db2.gz QWHNJGIFFYOGQB-NXEZZACHSA-N 0 0 272.314 3.770 10 0 CHAERN CC(C)(C)c1nc2cccc(Br)c2cc1NN ZINC000725268592 567923978 /nfs/dbraw/zinc/92/39/78/567923978.db2.gz WKUDPIDTHGWGDK-UHFFFAOYSA-N 0 0 294.196 3.580 10 0 CHAERN CCc1ccc2c(c1)C[C@@H](O)[C@H](C1CCCCC1)N2 ZINC000725267994 567923979 /nfs/dbraw/zinc/92/39/79/567923979.db2.gz DVSLHNXDKYOHBH-SJORKVTESA-N 0 0 259.393 3.527 10 0 CHAERN CCOc1cc(/C=C/Br)ccc1OC(=O)CC ZINC000725268716 567924041 /nfs/dbraw/zinc/92/40/41/567924041.db2.gz DWXSDOJXHUFJET-BQYQJAHWSA-N 0 0 299.164 3.766 10 0 CHAERN CCn1cc(C(F)F)c(-c2cc(Cl)ccc2N)n1 ZINC000725270220 567924332 /nfs/dbraw/zinc/92/43/32/567924332.db2.gz IVWQLCCQOBSXRE-UHFFFAOYSA-N 0 0 271.698 3.743 10 0 CHAERN Cn1cc(C(F)F)c(-c2ccc(F)c(Cl)c2)n1 ZINC000725269751 567924267 /nfs/dbraw/zinc/92/42/67/567924267.db2.gz CTGCQZMKLRKWJE-UHFFFAOYSA-N 0 0 260.646 3.817 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(F)c(C)c2)n1 ZINC000725270272 567924782 /nfs/dbraw/zinc/92/47/82/567924782.db2.gz KWENMCWMVQBNAI-UHFFFAOYSA-N 0 0 254.255 3.955 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccncc1 ZINC000000240854 567925522 /nfs/dbraw/zinc/92/55/22/567925522.db2.gz DVIRRAWJSMEGQQ-VHDGCEQUSA-N 0 0 261.365 3.699 10 0 CHAERN CCc1cc(Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000224823772 567926458 /nfs/dbraw/zinc/92/64/58/567926458.db2.gz NEQNZNJHNVCFOY-UHFFFAOYSA-N 0 0 259.951 3.519 10 0 CHAERN C[C@H]1CCn2cc(-c3ccc(Br)cc3)nc2C1 ZINC000258457751 567930937 /nfs/dbraw/zinc/93/09/37/567930937.db2.gz PSXALDWMJDTNMX-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN CC(C)(C)c1cc2nc(C3CCC3)nn2c(Cl)c1 ZINC000725243048 570255112 /nfs/dbraw/zinc/25/51/12/570255112.db2.gz HKRMRMDLXTUSPD-UHFFFAOYSA-N 0 0 263.772 3.948 10 0 CHAERN CCc1c(O)n2nc([C@@H](C)CC)nc2cc1C(C)C ZINC000725242967 570255141 /nfs/dbraw/zinc/25/51/41/570255141.db2.gz CTZHHOCUDCHSHK-JTQLQIEISA-N 0 0 261.369 3.634 10 0 CHAERN CCC(C)(C)c1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725242931 570255180 /nfs/dbraw/zinc/25/51/80/570255180.db2.gz BAGFKQZTWHNGHM-UHFFFAOYSA-N 0 0 261.369 3.554 10 0 CHAERN CCCc1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243096 570255211 /nfs/dbraw/zinc/25/52/11/570255211.db2.gz KIONBVODDSVGHG-UHFFFAOYSA-N 0 0 251.761 3.633 10 0 CHAERN Cc1ccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534202 570275733 /nfs/dbraw/zinc/27/57/33/570275733.db2.gz MCQXSZCDRHDXRQ-INIZCTEOSA-N 0 0 285.391 3.527 10 0 CHAERN CCC[C@@H](C)c1cc(C=O)sc1C(=O)OCC ZINC000675057720 570365110 /nfs/dbraw/zinc/36/51/10/570365110.db2.gz LOVOEGSXWGSXOG-SECBINFHSA-N 0 0 254.351 3.641 10 0 CHAERN Brc1ccccc1[C@]12CCCC[C@H]1O2 ZINC000299805380 570330273 /nfs/dbraw/zinc/33/02/73/570330273.db2.gz LFDBJYOWBFFESF-VXGBXAGGSA-N 0 0 253.139 3.617 10 0 CHAERN Nc1c(F)ccc(-c2cccc(Br)c2)c1F ZINC000675056452 570364395 /nfs/dbraw/zinc/36/43/95/570364395.db2.gz KIQQJYKKQBCPRI-UHFFFAOYSA-N 0 0 284.103 3.977 10 0 CHAERN CC(C)(C)NC(=O)[C@@H]1c2ccccc2N[C@@H]2CCCC[C@H]21 ZINC000252587164 570375748 /nfs/dbraw/zinc/37/57/48/570375748.db2.gz VYMJEYTYHHZTTH-FVQBIDKESA-N 0 0 286.419 3.669 10 0 CHAERN CC(C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960530 570406858 /nfs/dbraw/zinc/40/68/58/570406858.db2.gz PFNUOXKTMUBVHK-UHFFFAOYSA-N 0 0 291.391 3.649 10 0 CHAERN CC[C@@H]1CCCC[C@H]1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000700882866 954877476 /nfs/dbraw/zinc/87/74/76/954877476.db2.gz OUKXPWAXHYRVNJ-KGLIPLIRSA-N 0 0 269.429 3.636 10 0 CHAERN Cc1cccc([C@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)c1 ZINC000689176374 976239064 /nfs/dbraw/zinc/23/90/64/976239064.db2.gz WOJSIKOKEVZBRH-NSHDSACASA-N 0 0 275.373 3.606 10 0 CHAERN C[C@H]1C[C@H](C[NH2+]Cc2ccsc2C(=O)[O-])C[C@@H](C)C1 ZINC000695318264 976792638 /nfs/dbraw/zinc/79/26/38/976792638.db2.gz VSJNZIZIUMRARO-GDNZZTSVSA-N 0 0 281.421 3.608 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000701831554 977047338 /nfs/dbraw/zinc/04/73/38/977047338.db2.gz QBWRFADDOIMCJR-IUODEOHRSA-N 0 0 275.392 3.704 10 0 CHAERN O=C([O-])c1cccc(C[N@@H+]2CCC23CCCC3)c1Cl ZINC000707302600 977381486 /nfs/dbraw/zinc/38/14/86/977381486.db2.gz YZOBWQXPWOXJSI-UHFFFAOYSA-N 0 0 279.767 3.557 10 0 CHAERN C[C@@H](Cc1cccs1)[N@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711470940 977549887 /nfs/dbraw/zinc/54/98/87/977549887.db2.gz YZMKXSCNZLJOKZ-JTQLQIEISA-N 0 0 295.429 3.571 10 0 CHAERN O=C([O-])[C@]12CCC[C@H]1[N@H+](CCCC1CCCCC1)CC2 ZINC000711604837 977555326 /nfs/dbraw/zinc/55/53/26/977555326.db2.gz QQAALJIJOYFKJV-WBVHZDCISA-N 0 0 279.424 3.676 10 0 CHAERN Cc1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000001347688 1119943934 /nfs/dbraw/zinc/94/39/34/1119943934.db2.gz XEIVEJDIQBSHGP-UHFFFAOYSA-N 0 0 261.394 3.607 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CCCC12CCC2 ZINC000335731617 1123419059 /nfs/dbraw/zinc/41/90/59/1123419059.db2.gz GQAMVYWXTQEDBP-UHFFFAOYSA-N 0 0 279.771 3.594 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)c(C)o1 ZINC000187034371 1126907907 /nfs/dbraw/zinc/90/79/07/1126907907.db2.gz GDXHGTAXHQVCIX-AWEZNQCLSA-N 0 0 290.388 3.639 10 0 CHAERN Cc1ncc(CN2CCC[C@H]2c2csc(C)n2)s1 ZINC000189812800 1126935348 /nfs/dbraw/zinc/93/53/48/1126935348.db2.gz DMGCERRYOIWADM-ZDUSSCGKSA-N 0 0 279.434 3.554 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccsc2)cs1 ZINC000189936755 1126937079 /nfs/dbraw/zinc/93/70/79/1126937079.db2.gz KLFUZUPWCHFPDE-ZDUSSCGKSA-N 0 0 264.419 3.850 10 0 CHAERN Cc1cc(C(=O)N2CCCC23CCCC3)ccc1F ZINC000365563323 1118050001 /nfs/dbraw/zinc/05/00/01/1118050001.db2.gz PAXGBTYYHHTSBC-UHFFFAOYSA-N 0 0 261.340 3.683 10 0 CHAERN CC[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606805 1118057853 /nfs/dbraw/zinc/05/78/53/1118057853.db2.gz FZIWBHUZSMQUDU-NWDGAFQWSA-N 0 0 261.394 3.590 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000588395630 1118526696 /nfs/dbraw/zinc/52/66/96/1118526696.db2.gz ZJCSEHIYUMGNFL-CMUBDUJZSA-N 0 0 291.366 3.758 10 0 CHAERN Cc1nc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c(C)o1 ZINC000293647129 1118766767 /nfs/dbraw/zinc/76/67/67/1118766767.db2.gz UXHIKGZFNAXDCZ-BMIGLBTASA-N 0 0 284.359 3.660 10 0 CHAERN C/C(=C/C(=O)OC1C[C@@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000588448860 1118788409 /nfs/dbraw/zinc/78/84/09/1118788409.db2.gz JWUPIGNSZDQAAS-DDWPAIOCSA-N 0 0 292.350 3.728 10 0 CHAERN CCC(=O)c1ccc(OC(=O)C=Cc2ncccc2C)cc1 ZINC000588451326 1118797726 /nfs/dbraw/zinc/79/77/26/1118797726.db2.gz JNRGHDWXFHVQGH-KHPPLWFESA-N 0 0 295.338 3.602 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCSc2ccccc21 ZINC000588451263 1118797731 /nfs/dbraw/zinc/79/77/31/1118797731.db2.gz WQNCXVUCQDXLMM-HJWRWDBZSA-N 0 0 296.395 3.542 10 0 CHAERN Cc1ccc(N(C)C(=O)/C=C\c2ncccc2C)c(C)c1 ZINC000588452153 1118798475 /nfs/dbraw/zinc/79/84/75/1118798475.db2.gz UNTFTONTUDDFFE-NTMALXAHSA-N 0 0 280.371 3.683 10 0 CHAERN COc1ccc(SCC(=O)OC[C@@H]2CC=CCC2)cc1 ZINC000104879672 1118974742 /nfs/dbraw/zinc/97/47/42/1118974742.db2.gz UZWBHNQLWVBYLP-CYBMUJFWSA-N 0 0 292.400 3.687 10 0 CHAERN Cc1cncc(/C=C\C(=O)OCC2(c3ccccc3)CC2)c1 ZINC000588510530 1119046226 /nfs/dbraw/zinc/04/62/26/1119046226.db2.gz UJQHSAFNQKMDQO-FPLPWBNLSA-N 0 0 293.366 3.678 10 0 CHAERN CCC[C@H](CC)OC(=O)/C=C\c1scnc1C ZINC000588521994 1119090375 /nfs/dbraw/zinc/09/03/75/1119090375.db2.gz FIVDUFVTRZHEFR-TVRMLOFPSA-N 0 0 253.367 3.587 10 0 CHAERN CC(=O)c1c(C)cccc1NC(=O)C=Cc1cncc(C)c1 ZINC000588545658 1119183078 /nfs/dbraw/zinc/18/30/78/1119183078.db2.gz AEHDVMSYKKJUCT-FPLPWBNLSA-N 0 0 294.354 3.553 10 0 CHAERN C/C=C(/CC)C(=O)O[C@@H]1CCCc2nc(C)sc21 ZINC000588570125 1119320199 /nfs/dbraw/zinc/32/01/99/1119320199.db2.gz VKVSSUIGNPAPEQ-GFSSTFBJSA-N 0 0 265.378 3.728 10 0 CHAERN C[S@](=O)c1ccc(C(=O)OC2CCCCCCC2)cc1 ZINC000102123339 1122884774 /nfs/dbraw/zinc/88/47/74/1122884774.db2.gz QLSQWIGRONSBFV-HXUWFJFHSA-N 0 0 294.416 3.694 10 0 CHAERN CC[C@@H](C(=O)OCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000104557898 1122999127 /nfs/dbraw/zinc/99/91/27/1122999127.db2.gz MWRRINZACHMSGZ-OAHLLOKOSA-N 0 0 298.338 3.652 10 0 CHAERN Cc1cc([C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)no2)c(C)o1 ZINC000183793671 1123194420 /nfs/dbraw/zinc/19/44/20/1123194420.db2.gz ZJGMHXWAQXTRSE-MNOVXSKESA-N 0 0 291.395 3.989 10 0 CHAERN Cc1ccc2oc(-c3nc([C@@H]4CC4(C)C)no3)cc2n1 ZINC000329576843 1123626076 /nfs/dbraw/zinc/62/60/76/1123626076.db2.gz OKSZORRMDIHFEX-VIFPVBQESA-N 0 0 269.304 3.700 10 0 CHAERN C[C@H]1CC(c2noc([C@]3(C)CCC(=O)NC3)n2)C[C@H](C)C1 ZINC000329599628 1123629242 /nfs/dbraw/zinc/62/92/42/1123629242.db2.gz PXYGMQKQZIKZAX-GLKRBJQHSA-N 0 0 291.395 3.617 10 0 CHAERN Cc1nc(-c2noc([C@@H]3C[C@@H](C)CC(C)(C)C3)n2)co1 ZINC000329691297 1123646427 /nfs/dbraw/zinc/64/64/27/1123646427.db2.gz WHCOPBNHGLCYCW-MWLCHTKSSA-N 0 0 275.352 3.963 10 0 CHAERN NC(=O)[C@@H]1CCC[C@@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329762588 1123653110 /nfs/dbraw/zinc/65/31/10/1123653110.db2.gz SVNIQDMQTZNHIO-CHWSQXEVSA-N 0 0 289.379 3.922 10 0 CHAERN Cc1cccc(-c2noc(CSCCOC(C)C)n2)c1 ZINC000105638263 1125411023 /nfs/dbraw/zinc/41/10/23/1125411023.db2.gz CKYDODJVUDJAMT-UHFFFAOYSA-N 0 0 292.404 3.703 10 0 CHAERN Cc1ccc([C@@H]2CCCN(C(=O)c3ccnc(F)c3)C2)cc1 ZINC000369120050 1129562452 /nfs/dbraw/zinc/56/24/52/1129562452.db2.gz ZLHKNAHOVDMFFY-MRXNPFEDSA-N 0 0 298.361 3.549 10 0 CHAERN Cc1ccc([C@H]2CCCN(C(=O)c3ccnc(F)c3)C2)cc1 ZINC000369120049 1129562495 /nfs/dbraw/zinc/56/24/95/1129562495.db2.gz ZLHKNAHOVDMFFY-INIZCTEOSA-N 0 0 298.361 3.549 10 0 CHAERN CCSCc1ccc(C(=O)OCCCCOC)cc1 ZINC000103334868 1129745561 /nfs/dbraw/zinc/74/55/61/1129745561.db2.gz VSNIWTNONYHWRC-UHFFFAOYSA-N 0 0 282.405 3.523 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc([S@](C)=O)cc1 ZINC000103669004 1131961590 /nfs/dbraw/zinc/96/15/90/1131961590.db2.gz KQQDXGPJBHIDKK-ASNKJTAVSA-N 0 0 294.416 3.550 10 0 CHAERN CC(C)Oc1cccc(OC2CC2)c1Br ZINC000095725064 185021113 /nfs/dbraw/zinc/02/11/13/185021113.db2.gz ZYXBTGQGOGRTET-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CC(C)c1cc(Br)ncc1OC1CC1 ZINC000095725381 185021205 /nfs/dbraw/zinc/02/12/05/185021205.db2.gz LQTWWBJDLRXSFX-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN FC(F)(F)c1cc(NC2CCCC2)nc(Cl)n1 ZINC000082501735 178066065 /nfs/dbraw/zinc/06/60/65/178066065.db2.gz CIKSDUBRNYAKAD-UHFFFAOYSA-N 0 0 265.666 3.503 10 0 CHAERN Nc1cnc(Nc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000082577173 178118049 /nfs/dbraw/zinc/11/80/49/178118049.db2.gz MBMBPTYGWSXRLC-UHFFFAOYSA-N 0 0 272.110 3.853 10 0 CHAERN O=C(Cc1ccnc2ccccc12)c1cccc(Cl)n1 ZINC000095919564 185031734 /nfs/dbraw/zinc/03/17/34/185031734.db2.gz VUMHOHKIRMFDFG-UHFFFAOYSA-N 0 0 282.730 3.709 10 0 CHAERN FC(F)Oc1ccc(Br)cc1OC1CCC1 ZINC000095931406 185032839 /nfs/dbraw/zinc/03/28/39/185032839.db2.gz WQOQBPWBNKINBL-UHFFFAOYSA-N 0 0 293.107 3.982 10 0 CHAERN CC(=O)Oc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000095936550 185034269 /nfs/dbraw/zinc/03/42/69/185034269.db2.gz HBDMASJYOTVVFT-UHFFFAOYSA-N 0 0 283.302 3.754 10 0 CHAERN Nc1c(C2CCCCC2)nc2c(Br)cccn12 ZINC000082696214 178193725 /nfs/dbraw/zinc/19/37/25/178193725.db2.gz FDYBKBDQXNRDPL-UHFFFAOYSA-N 0 0 294.196 3.727 10 0 CHAERN COc1ccc(-c2ccc(CC(C)=O)cc2)cc1F ZINC000082708982 178218463 /nfs/dbraw/zinc/21/84/63/178218463.db2.gz UWYHLWQURSOAPJ-UHFFFAOYSA-N 0 0 258.292 3.633 10 0 CHAERN COc1ccc(-c2ccc(CC(C)=O)cc2)c(F)c1 ZINC000082708956 178218677 /nfs/dbraw/zinc/21/86/77/178218677.db2.gz LUXHSYIAYRGBPN-UHFFFAOYSA-N 0 0 258.292 3.633 10 0 CHAERN Cc1cc(F)ccc1CNc1cnccc1Cl ZINC000083383923 178386989 /nfs/dbraw/zinc/38/69/89/178386989.db2.gz FWEMLLGLAPBMLB-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN CC(=O)Oc1cn(Cc2ccccc2)c2ccccc12 ZINC000096675605 185110121 /nfs/dbraw/zinc/11/01/21/185110121.db2.gz TWRMEZLJZRTHNK-UHFFFAOYSA-N 0 0 265.312 3.615 10 0 CHAERN CN(C)c1nc2ccc(N[C@@H]3CCCc4occc43)cc2o1 ZINC000333277804 529805829 /nfs/dbraw/zinc/80/58/29/529805829.db2.gz IWOBHTUDMURHJL-CYBMUJFWSA-N 0 0 297.358 3.976 10 0 CHAERN C[C@H](O)c1ccc(N2CC[C@H](C)C[C@H]2C)c(F)c1 ZINC000103929179 136524941 /nfs/dbraw/zinc/52/49/41/136524941.db2.gz LOTMOIAOJLJHJJ-TUAOUCFPSA-N 0 0 251.345 3.504 10 0 CHAERN C[C@@H]1C[C@@H](C)CCN1c1ccc(N)cc1C(F)F ZINC000104227705 136525696 /nfs/dbraw/zinc/52/56/96/136525696.db2.gz VZKILDJPMQKZGL-VHSXEESVSA-N 0 0 254.324 3.831 10 0 CHAERN COc1ccc2c(ccn2C(=O)c2ccc(Cl)cc2)c1 ZINC000098177756 185697370 /nfs/dbraw/zinc/69/73/70/185697370.db2.gz PKWJUAPOCJWGIL-UHFFFAOYSA-N 0 0 285.730 3.992 10 0 CHAERN COc1cccc([C@H]2N=NC(=S)N2c2ccccc2)c1 ZINC000100383098 185714321 /nfs/dbraw/zinc/71/43/21/185714321.db2.gz CPWXNSCGMONYOX-AWEZNQCLSA-N 0 0 283.356 3.951 10 0 CHAERN C[C@H]1CCc2ccccc2N1Cc1ccccc1C(N)=S ZINC000019805972 136578419 /nfs/dbraw/zinc/57/84/19/136578419.db2.gz PNBPVUQSWZRMBO-ZDUSSCGKSA-N 0 0 296.439 3.662 10 0 CHAERN CNc1nc2c(OC)ccc(C)c2cc1C(C)(C)C ZINC000103928692 185863529 /nfs/dbraw/zinc/86/35/29/185863529.db2.gz BCKBTDQIDYLGII-UHFFFAOYSA-N 0 0 258.365 3.891 10 0 CHAERN Cc1cc(OCc2c(N)cccc2F)ccc1Cl ZINC000104072057 185892863 /nfs/dbraw/zinc/89/28/63/185892863.db2.gz WPESZTHFPVNAFJ-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN CCC(CC)N(C)c1cc(OC(C)C)c(F)cc1N ZINC000104126582 185900173 /nfs/dbraw/zinc/90/01/73/185900173.db2.gz SMWALWDRRMBZDQ-UHFFFAOYSA-N 0 0 268.376 3.820 10 0 CHAERN CCOc1nc(Cl)nc(N[C@@H](C)CCCC(C)C)n1 ZINC000104158864 185913570 /nfs/dbraw/zinc/91/35/70/185913570.db2.gz IYRJQXRKGBZOKJ-JTQLQIEISA-N 0 0 286.807 3.550 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2ccc(Cl)cc2C)n1 ZINC000104182098 185918373 /nfs/dbraw/zinc/91/83/73/185918373.db2.gz XBLLMSHIDOBDAI-UHFFFAOYSA-N 0 0 291.807 3.730 10 0 CHAERN Cc1cc(C(=O)[C@H]2CCOc3ccccc32)c(C)o1 ZINC000104200065 185927468 /nfs/dbraw/zinc/92/74/68/185927468.db2.gz KVRJKYBWHDXAQI-ZDUSSCGKSA-N 0 0 256.301 3.645 10 0 CHAERN O=C(Cc1ccncc1)c1cc(Cl)cc(Cl)c1 ZINC000088518033 179617325 /nfs/dbraw/zinc/61/73/25/179617325.db2.gz OICYOTGSUVBNQD-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN CCOC(=O)CCNc1ccc(C(F)(F)F)cc1Cl ZINC000104247833 185943340 /nfs/dbraw/zinc/94/33/40/185943340.db2.gz HFYUQJVOUAHTRB-UHFFFAOYSA-N 0 0 295.688 3.724 10 0 CHAERN C[C@H]1CCC[C@H](Sc2nc3ccccn3c2C=O)C1 ZINC000104296454 185958690 /nfs/dbraw/zinc/95/86/90/185958690.db2.gz HRYPOORANJCROS-RYUDHWBXSA-N 0 0 274.389 3.818 10 0 CHAERN Clc1ccc(NCc2nccs2)c2cccnc12 ZINC000104348195 185977160 /nfs/dbraw/zinc/97/71/60/185977160.db2.gz CMKBLRYVHWVTOD-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN CC1(c2ccccc2COCc2ccccc2)OCCO1 ZINC000090373620 179978991 /nfs/dbraw/zinc/97/89/91/179978991.db2.gz NUYGPWVRGMAHPW-UHFFFAOYSA-N 0 0 284.355 3.623 10 0 CHAERN CCC(CC)[C@@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000104442036 186003179 /nfs/dbraw/zinc/00/31/79/186003179.db2.gz HMHVBTIATLRZFA-SECBINFHSA-N 0 0 269.772 3.600 10 0 CHAERN CNc1cnc(Cl)cc1-c1ccc(F)cc1C ZINC000090505445 179994569 /nfs/dbraw/zinc/99/45/69/179994569.db2.gz SNJVPZQIAMHUNJ-UHFFFAOYSA-N 0 0 250.704 3.891 10 0 CHAERN CCC(CC)[C@H](C)Nc1cc(OC)c(F)cc1N ZINC000104431652 186000267 /nfs/dbraw/zinc/00/02/67/186000267.db2.gz QOMMVIKBFNHZTF-VIFPVBQESA-N 0 0 254.349 3.653 10 0 CHAERN COc1ccc([C@@H](O)C[C@H](C)C(C)(C)C)cc1F ZINC000104434177 186000811 /nfs/dbraw/zinc/00/08/11/186000811.db2.gz YDAXDXMRTSGKEE-GWCFXTLKSA-N 0 0 254.345 3.940 10 0 CHAERN COc1ccc(-c2cnc(OC)c3cccc(O)c32)cc1 ZINC000090547467 180001180 /nfs/dbraw/zinc/00/11/80/180001180.db2.gz WPSKHGQCLISQOY-UHFFFAOYSA-N 0 0 281.311 3.625 10 0 CHAERN S=c1[nH]c2cccc(Cl)c2n1CCOC1CCCC1 ZINC000104436841 186001108 /nfs/dbraw/zinc/00/11/08/186001108.db2.gz WBKFKPCZUWTNGP-UHFFFAOYSA-N 0 0 296.823 3.938 10 0 CHAERN CCOc1cc(N[C@H](C)C(CC)CC)ccc1N ZINC000104435899 186001318 /nfs/dbraw/zinc/00/13/18/186001318.db2.gz WKKVWRYKVNHEJL-LLVKDONJSA-N 0 0 250.386 3.904 10 0 CHAERN COc1ncc(-c2ccc(F)c(C=O)c2)c2c(O)cccc12 ZINC000090555755 180003809 /nfs/dbraw/zinc/00/38/09/180003809.db2.gz GHUUWAXAWJALTJ-UHFFFAOYSA-N 0 0 297.285 3.568 10 0 CHAERN CC(C)(C)OC(=O)c1cccc(NCCc2cccnc2)c1 ZINC000090624078 180015083 /nfs/dbraw/zinc/01/50/83/180015083.db2.gz NJNYLQLHBLHJSH-UHFFFAOYSA-N 0 0 298.386 3.692 10 0 CHAERN CC(C)CC(=O)Nc1cccc2[nH]c(-c3cn[nH]c3)cc21 ZINC000090766919 180037847 /nfs/dbraw/zinc/03/78/47/180037847.db2.gz AWMVEABMPHEVMJ-UHFFFAOYSA-N 0 0 282.347 3.543 10 0 CHAERN CCC(CC)[C@@H](C)Nc1nc(Cl)nc(OC(C)C)n1 ZINC000104448327 186006149 /nfs/dbraw/zinc/00/61/49/186006149.db2.gz AMRUCJWLQYKPPI-SECBINFHSA-N 0 0 286.807 3.549 10 0 CHAERN Cc1ccc(NC=C2C(=O)Nc3ccccc32)cc1C ZINC000104489560 186007742 /nfs/dbraw/zinc/00/77/42/186007742.db2.gz JLIKDYPTKYBPLE-XNTDXEJSSA-N 0 0 264.328 3.709 10 0 CHAERN Fc1ccc(Cl)cc1-c1nc(Cl)c2nccnc2n1 ZINC000091301748 180129262 /nfs/dbraw/zinc/12/92/62/180129262.db2.gz PHRTUHVIIGEEGW-UHFFFAOYSA-N 0 0 295.104 3.533 10 0 CHAERN CCCCc1cc(Br)cc(C(N)=O)c1Cl ZINC000091368789 180143355 /nfs/dbraw/zinc/14/33/55/180143355.db2.gz HHZQTYCQJXMMCR-UHFFFAOYSA-N 0 0 290.588 3.544 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(c2cc(N)ccc2F)CC1 ZINC000091353252 180138137 /nfs/dbraw/zinc/13/81/37/180138137.db2.gz UUMJVSLBUOOSMT-UHFFFAOYSA-N 0 0 294.370 3.522 10 0 CHAERN Cc1cc(C)c(-c2ncncc2Br)c(C)c1 ZINC000091366387 180142847 /nfs/dbraw/zinc/14/28/47/180142847.db2.gz QLZZBCQETSRYSB-UHFFFAOYSA-N 0 0 277.165 3.831 10 0 CHAERN Cc1cc(N)sc1-c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000106037960 186099544 /nfs/dbraw/zinc/09/95/44/186099544.db2.gz MGFHRCTYJCYCMI-WPRPVWTQSA-N 0 0 277.393 3.982 10 0 CHAERN COCCNc1ccc(SC2CCCC2)cc1 ZINC000107295295 186167764 /nfs/dbraw/zinc/16/77/64/186167764.db2.gz WTBVOGQRKOTIBX-UHFFFAOYSA-N 0 0 251.395 3.780 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccccc2N(C)C)s1 ZINC000111822088 186459898 /nfs/dbraw/zinc/45/98/98/186459898.db2.gz RGWVNKQVBDXFOQ-LLVKDONJSA-N 0 0 275.421 3.999 10 0 CHAERN CCCc1ccc([C@H](O)c2cc(F)ccc2F)cc1 ZINC000111821353 186460464 /nfs/dbraw/zinc/46/04/64/186460464.db2.gz GYCNFBTYDUVKFM-INIZCTEOSA-N 0 0 262.299 3.999 10 0 CHAERN NC(=O)Cc1cc2ccccc2c(-c2ccc(Cl)cc2)n1 ZINC000138782542 187905178 /nfs/dbraw/zinc/90/51/78/187905178.db2.gz DBGRGWBLYNNKNM-UHFFFAOYSA-N 0 0 296.757 3.583 10 0 CHAERN O[C@H](c1cc2ccncc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000144174161 187912131 /nfs/dbraw/zinc/91/21/31/187912131.db2.gz WXHLQHDZHYXMMQ-AWEZNQCLSA-N 0 0 293.153 3.951 10 0 CHAERN O=C([O-])[C@H](CCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000169805962 188665524 /nfs/dbraw/zinc/66/55/24/188665524.db2.gz MYTBLCSYYWKMOA-OAHLLOKOSA-N 0 0 295.810 3.774 10 0 CHAERN Cn1nnc(-c2cccs2)c1SCc1ccccc1 ZINC000334162495 206122079 /nfs/dbraw/zinc/12/20/79/206122079.db2.gz OOTWZIGDZVBJMY-UHFFFAOYSA-N 0 0 287.413 3.836 10 0 CHAERN CCOC(=O)c1cc(-c2ccc(F)cc2)c2ccncc2n1 ZINC000261508565 190040140 /nfs/dbraw/zinc/04/01/40/190040140.db2.gz USFVGFGGCFPCNO-UHFFFAOYSA-N 0 0 296.301 3.613 10 0 CHAERN Cc1cc2ncn(C(=O)c3ccccc3C)c2cc1C ZINC000000183856 169567459 /nfs/dbraw/zinc/56/74/59/169567459.db2.gz RJYQIGXVIZCBAS-UHFFFAOYSA-N 0 0 264.328 3.650 10 0 CHAERN O[C@@H](Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000055201158 256723812 /nfs/dbraw/zinc/72/38/12/256723812.db2.gz RHKBXIJRLCUBBJ-AWEZNQCLSA-N 0 0 266.262 3.982 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N[C@@H]1CC=CCC1 ZINC000179549895 260055070 /nfs/dbraw/zinc/05/50/70/260055070.db2.gz GTCCRIJCTFRYTI-GDBMZVCRSA-N 0 0 288.366 3.611 10 0 CHAERN CCCN(C(=O)NC1CCC(CC)CC1)C1CC1 ZINC000171428414 335065701 /nfs/dbraw/zinc/06/57/01/335065701.db2.gz KXPDBXNHNOTXQH-UHFFFAOYSA-N 0 0 252.402 3.539 10 0 CHAERN CCCC(=O)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000014395928 134692358 /nfs/dbraw/zinc/69/23/58/134692358.db2.gz GXLOXGAMJAOCNR-UHFFFAOYSA-N 0 0 297.402 3.964 10 0 CHAERN CCc1ccc(C(=O)N2CCSc3ccc(N)cc32)cc1 ZINC000038051257 134853412 /nfs/dbraw/zinc/85/34/12/134853412.db2.gz JNPLPGFBGIUWAY-UHFFFAOYSA-N 0 0 298.411 3.584 10 0 CHAERN Clc1cc2c(cc1Cl)N1CCCC[C@H]1CN2 ZINC000087418506 135049580 /nfs/dbraw/zinc/04/95/80/135049580.db2.gz IADCTTZTDALOLS-QMMMGPOBSA-N 0 0 257.164 3.778 10 0 CHAERN O=C(Nc1ccc2snnc2c1)NC1CCCCCC1 ZINC000005152162 170070758 /nfs/dbraw/zinc/07/07/58/170070758.db2.gz FMGPKTZBJWDBQL-UHFFFAOYSA-N 0 0 290.392 3.536 10 0 CHAERN CC(C)c1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000005238425 170078571 /nfs/dbraw/zinc/07/85/71/170078571.db2.gz NZWQGLMMPMCRNG-UHFFFAOYSA-N 0 0 299.418 3.609 10 0 CHAERN O=C1CCCN1[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000005332011 170086630 /nfs/dbraw/zinc/08/66/30/170086630.db2.gz VAGNKUQGTBABTE-QZTJIDSGSA-N 0 0 292.382 3.907 10 0 CHAERN CCOC(=O)[C@H](c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000005460235 170101499 /nfs/dbraw/zinc/10/14/99/170101499.db2.gz RLYXKRXVQQDHNH-LBPRGKRZSA-N 0 0 285.265 3.685 10 0 CHAERN Cc1cc[nH]c2nc(-c3cccc(Cl)c3)cc(=O)c1-2 ZINC000005504157 170105378 /nfs/dbraw/zinc/10/53/78/170105378.db2.gz ZBQNAMZDRCCHEF-UHFFFAOYSA-N 0 0 270.719 3.552 10 0 CHAERN CC(C)c1ccc(-c2csc3ncn(C)c(=O)c23)cc1 ZINC000005556616 170112991 /nfs/dbraw/zinc/11/29/91/170112991.db2.gz WSUUCXDDIXUJIK-UHFFFAOYSA-N 0 0 284.384 3.785 10 0 CHAERN CCCN(CCC)C(=O)c1ccc(SC)cc1OC ZINC000005591207 170116972 /nfs/dbraw/zinc/11/69/72/170116972.db2.gz XZTHQTDTTHZGGI-UHFFFAOYSA-N 0 0 281.421 3.679 10 0 CHAERN Cc1cccc(OCc2ccc(C(N)=S)cc2)c1C ZINC000005592547 170117366 /nfs/dbraw/zinc/11/73/66/170117366.db2.gz NLZDWAQTPOECEB-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN CCc1ccc(OCCC(N)=S)c(C(C)(C)C)c1 ZINC000005592789 170117433 /nfs/dbraw/zinc/11/74/33/170117433.db2.gz ZVIBCOQHPGAJCI-UHFFFAOYSA-N 0 0 265.422 3.602 10 0 CHAERN CC(C)NC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000005834849 170145480 /nfs/dbraw/zinc/14/54/80/170145480.db2.gz MAVLOCUHSSXSND-LGMDPLHJSA-N 0 0 265.356 3.752 10 0 CHAERN CC[C@@H](C)Oc1cc(N)nc(Sc2ccccc2C)n1 ZINC000005845840 170146809 /nfs/dbraw/zinc/14/68/09/170146809.db2.gz FINXZRNEMSTDDD-LLVKDONJSA-N 0 0 289.404 3.696 10 0 CHAERN Cc1cccc(C)c1Sc1nc(Cl)nc2[nH]cnc21 ZINC000005892743 170150948 /nfs/dbraw/zinc/15/09/48/170150948.db2.gz WHDNRPIYHICRPB-UHFFFAOYSA-N 0 0 290.779 3.774 10 0 CHAERN Cc1nc([C@@H]2CC(=O)c3cc(Cl)ccc3O2)cs1 ZINC000005943282 170159772 /nfs/dbraw/zinc/15/97/72/170159772.db2.gz HXSWSDBGJPRQQB-ZDUSSCGKSA-N 0 0 279.748 3.811 10 0 CHAERN O=C(/C=C\c1c(Cl)cccc1Cl)NCc1ccco1 ZINC000006132365 170178750 /nfs/dbraw/zinc/17/87/50/170178750.db2.gz WKOKWLNRXFJJJX-SREVYHEPSA-N 0 0 296.153 3.916 10 0 CHAERN O=C(Nc1nc2ccc(O)cc2s1)C1CCCCC1 ZINC000006243450 170184835 /nfs/dbraw/zinc/18/48/35/170184835.db2.gz TVVDFBVVLHQMCT-UHFFFAOYSA-N 0 0 276.361 3.521 10 0 CHAERN Cc1ccc(/C=C/C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000006272560 170187428 /nfs/dbraw/zinc/18/74/28/170187428.db2.gz VUIBJLMQHCLNQT-NOQIOLJMSA-N 0 0 257.377 3.798 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)n1cnc2ccccc21 ZINC000006302052 170189511 /nfs/dbraw/zinc/18/95/11/170189511.db2.gz CDHYPCOFCIKUIN-ACCUITESSA-N 0 0 262.312 3.780 10 0 CHAERN O=C(/C=C/c1c(F)cccc1Cl)N1CCCCC1 ZINC000006328789 170191921 /nfs/dbraw/zinc/19/19/21/170191921.db2.gz AKQWMNSBFWUDIL-BQYQJAHWSA-N 0 0 267.731 3.505 10 0 CHAERN CC[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000006440533 170201567 /nfs/dbraw/zinc/20/15/67/170201567.db2.gz WUCFBCMZEQITEF-AWEZNQCLSA-N 0 0 281.783 3.588 10 0 CHAERN C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CCC2=O ZINC000006500099 170207758 /nfs/dbraw/zinc/20/77/58/170207758.db2.gz VAJIVJCXOGUMLA-QDTBLXIISA-N 0 0 288.362 3.957 10 0 CHAERN FC(F)C(F)(F)Sc1nc2ccccc2[nH]1 ZINC000006588620 170216877 /nfs/dbraw/zinc/21/68/77/170216877.db2.gz XUGFCZMREGBYTL-UHFFFAOYSA-N 0 0 250.220 3.513 10 0 CHAERN O=C(NC(=S)Nc1cccc2ccccc21)C1CCCC1 ZINC000006644467 170221230 /nfs/dbraw/zinc/22/12/30/170221230.db2.gz JFUHZSWOUUFDMZ-UHFFFAOYSA-N 0 0 298.411 3.843 10 0 CHAERN CC[C@H](Oc1ccccc1)C(=O)N(CC)c1ccccc1 ZINC000006791053 170244528 /nfs/dbraw/zinc/24/45/28/170244528.db2.gz ASPAIAIIFAABLI-KRWDZBQOSA-N 0 0 283.371 3.897 10 0 CHAERN CC(=O)c1nc(-c2ccccc2Cl)n2ccccc12 ZINC000006855437 170249720 /nfs/dbraw/zinc/24/97/20/170249720.db2.gz DYGKILDXSQNEGZ-UHFFFAOYSA-N 0 0 270.719 3.857 10 0 CHAERN O=Cc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000007255954 170273806 /nfs/dbraw/zinc/27/38/06/170273806.db2.gz XCVDTCCPLCRATP-UHFFFAOYSA-N 0 0 263.296 3.626 10 0 CHAERN CCCNc1nc(-c2ccc(OC)c(F)c2)cs1 ZINC000007273872 170275136 /nfs/dbraw/zinc/27/51/36/170275136.db2.gz TWMDAGMMHCTWLN-UHFFFAOYSA-N 0 0 266.341 3.780 10 0 CHAERN Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000007343835 170278566 /nfs/dbraw/zinc/27/85/66/170278566.db2.gz POZKKKLLQMVARO-UHFFFAOYSA-N 0 0 284.746 3.881 10 0 CHAERN CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000008276617 170328459 /nfs/dbraw/zinc/32/84/59/170328459.db2.gz FADUECMVWFKFJO-VOORUYIGSA-N 0 0 287.403 3.793 10 0 CHAERN O=C(Nc1onc2c1CCC2)c1cc(Cl)ccc1Cl ZINC000008976393 170359819 /nfs/dbraw/zinc/35/98/19/170359819.db2.gz ACDDVLQCYFYCMB-UHFFFAOYSA-N 0 0 297.141 3.722 10 0 CHAERN Cc1cc(C=O)c(C)n1CCOc1cccc(C)c1C ZINC000009246144 170368124 /nfs/dbraw/zinc/36/81/24/170368124.db2.gz DBSGZWPMQSMRCC-UHFFFAOYSA-N 0 0 271.360 3.613 10 0 CHAERN NC(=S)c1cccc(OCc2ccccc2Cl)c1 ZINC000011831581 170445223 /nfs/dbraw/zinc/44/52/23/170445223.db2.gz UDHVCZSCQFDBLR-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN CCCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000011988827 170464737 /nfs/dbraw/zinc/46/47/37/170464737.db2.gz AZTBQLVIZGWGSX-UHFFFAOYSA-N 0 0 297.314 3.735 10 0 CHAERN Fc1cccc([C@@H]2SCc3nc4ccccc4n32)c1 ZINC000012942599 170522297 /nfs/dbraw/zinc/52/22/97/170522297.db2.gz KBLDVUXZJWDYOM-HNNXBMFYSA-N 0 0 270.332 3.969 10 0 CHAERN COc1ccc2[nH]c(C(=O)c3c(F)cccc3F)cc2c1 ZINC000013471022 170553217 /nfs/dbraw/zinc/55/32/17/170553217.db2.gz HGRDJYBYLDIVRE-UHFFFAOYSA-N 0 0 287.265 3.686 10 0 CHAERN Cc1cccc(C(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000013602692 170568006 /nfs/dbraw/zinc/56/80/06/170568006.db2.gz TXSRBRJNVBPYLK-OAHLLOKOSA-N 0 0 251.329 3.693 10 0 CHAERN Cc1cc(C)nc(N(C)c2ccccc2Br)n1 ZINC000013794367 170594639 /nfs/dbraw/zinc/59/46/39/170594639.db2.gz VDPKEDUBRRLWNO-UHFFFAOYSA-N 0 0 292.180 3.624 10 0 CHAERN CC[C@H]1CCCCN1C(=S)NCc1ccc(C)cc1 ZINC000013829428 170601993 /nfs/dbraw/zinc/60/19/93/170601993.db2.gz GQUUUISZOQSECL-HNNXBMFYSA-N 0 0 276.449 3.634 10 0 CHAERN COc1ccc2oc(CCc3ccccc3)cc(=O)c2c1 ZINC000014503966 170636059 /nfs/dbraw/zinc/63/60/59/170636059.db2.gz JOYYVGVYUHRBAE-UHFFFAOYSA-N 0 0 280.323 3.587 10 0 biogenic,in-vitro CHAERN CCOc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1 ZINC000014778616 170644746 /nfs/dbraw/zinc/64/47/46/170644746.db2.gz QMWOHXOBGGBLHJ-UHFFFAOYSA-N 0 0 270.328 3.921 10 0 CHAERN Brc1cnc2c(cnn2C2CCCCC2)c1 ZINC000019508752 170819461 /nfs/dbraw/zinc/81/94/61/170819461.db2.gz ZJXRHXAYMBTNJK-UHFFFAOYSA-N 0 0 280.169 3.699 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2nc3ccc(N)cc3s2)c1 ZINC000019803814 170872990 /nfs/dbraw/zinc/87/29/90/170872990.db2.gz YOCYCIXZPLKPAJ-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN NC(=S)c1ccc(COc2cccc(Cl)c2)cc1 ZINC000019806138 170874952 /nfs/dbraw/zinc/87/49/52/170874952.db2.gz OJJYVNKUNRUKIQ-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN CC1CCC(OCc2ccc(C(N)=S)cc2F)CC1 ZINC000019806225 170875104 /nfs/dbraw/zinc/87/51/04/170875104.db2.gz OGZGVLVAZBBBGX-UHFFFAOYSA-N 0 0 281.396 3.555 10 0 CHAERN NC(=S)COc1ccc(-c2ccccc2)cc1Cl ZINC000019806248 170875134 /nfs/dbraw/zinc/87/51/34/170875134.db2.gz VLTNOOYJQJUPLB-UHFFFAOYSA-N 0 0 277.776 3.672 10 0 CHAERN Fc1cc(Br)ccc1NCc1ccncc1 ZINC000019907967 170920017 /nfs/dbraw/zinc/92/00/17/170920017.db2.gz CFSIZGVWAJDJQP-UHFFFAOYSA-N 0 0 281.128 3.595 10 0 CHAERN COc1ccc(N[C@H]2CCOc3ccccc32)cc1OC ZINC000019908886 170920541 /nfs/dbraw/zinc/92/05/41/170920541.db2.gz JCNYRTMQGWWUQO-AWEZNQCLSA-N 0 0 285.343 3.640 10 0 CHAERN COc1ccc(OC)c(N[C@H](C)c2ccccc2OC)c1 ZINC000019910517 170921681 /nfs/dbraw/zinc/92/16/81/170921681.db2.gz HHZJYMUQCOPEHF-GFCCVEGCSA-N 0 0 287.359 3.886 10 0 CHAERN COc1ccc(Cl)cc1NCc1ccc(O)c(OC)c1 ZINC000019914021 170923876 /nfs/dbraw/zinc/92/38/76/170923876.db2.gz GGTGPGXOOXKYNX-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN COc1cccc([C@H](C)Nc2ccc3c(c2)OCCO3)c1 ZINC000019916205 170925476 /nfs/dbraw/zinc/92/54/76/170925476.db2.gz ZRVJYKONANAKKH-LBPRGKRZSA-N 0 0 285.343 3.640 10 0 CHAERN CC(=O)Nc1cccc(NC2[C@H](C)CCC[C@@H]2C)c1 ZINC000019917087 170925994 /nfs/dbraw/zinc/92/59/94/170925994.db2.gz TWQXISPMZBNGOJ-HBBFGDNQSA-N 0 0 260.381 3.882 10 0 CHAERN Fc1cc(Br)ccc1NCC(F)(F)F ZINC000020045185 170977340 /nfs/dbraw/zinc/97/73/40/170977340.db2.gz RIPIQCIUALKMIW-UHFFFAOYSA-N 0 0 272.039 3.562 10 0 CHAERN Cc1cc(Br)cc(C)c1NC[C@@H]1CCCO1 ZINC000020071047 170982154 /nfs/dbraw/zinc/98/21/54/170982154.db2.gz BTWXDQPCKQAQFJ-LBPRGKRZSA-N 0 0 284.197 3.657 10 0 CHAERN CCC(=O)Nc1cccc(N[C@@H](C)c2ccco2)c1 ZINC000020132024 171020563 /nfs/dbraw/zinc/02/05/63/171020563.db2.gz YBFNOKUIVRSBHQ-NSHDSACASA-N 0 0 258.321 3.801 10 0 CHAERN Cc1nn(C)c(C)c1NCc1ccc(Cl)cc1Cl ZINC000020134720 171022736 /nfs/dbraw/zinc/02/27/36/171022736.db2.gz QLEHKYJIWPOCKC-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2ccc(-c3nnco3)cc2)C1 ZINC000020186834 171050863 /nfs/dbraw/zinc/05/08/63/171050863.db2.gz BNMUNUBRGWKQKD-RISCZKNCSA-N 0 0 257.337 3.727 10 0 CHAERN C[C@H]1CCC[C@@H](Nc2ccc(-c3nnco3)cc2)C1 ZINC000020186832 171050890 /nfs/dbraw/zinc/05/08/90/171050890.db2.gz BNMUNUBRGWKQKD-SMDDNHRTSA-N 0 0 257.337 3.727 10 0 CHAERN Cc1ccc(NC(=O)CCc2ccccc2N)cc1Cl ZINC000020187523 171052020 /nfs/dbraw/zinc/05/20/20/171052020.db2.gz HDUQIDZXFODDGL-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN C[C@@H]1Cc2ccccc2N1Cc1ccc(N)cc1Cl ZINC000020192796 171058693 /nfs/dbraw/zinc/05/86/93/171058693.db2.gz BAEVJKIWOLZPFC-LLVKDONJSA-N 0 0 272.779 3.873 10 0 CHAERN CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1 ZINC000020210569 171073909 /nfs/dbraw/zinc/07/39/09/171073909.db2.gz RZGMWHFEAUXFOW-UHFFFAOYSA-N 0 0 285.387 3.571 10 0 CHAERN Cc1cc(C(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000020243382 171097175 /nfs/dbraw/zinc/09/71/75/171097175.db2.gz DNGZVTJIFSGHPG-UHFFFAOYSA-N 0 0 295.317 3.572 10 0 CHAERN NC(=O)c1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000020246397 171099981 /nfs/dbraw/zinc/09/99/81/171099981.db2.gz PILIEUFWQCDQRA-UHFFFAOYSA-N 0 0 295.169 3.704 10 0 CHAERN Nc1cccnc1NC(c1ccccc1)c1ccccc1 ZINC000020278674 171132313 /nfs/dbraw/zinc/13/23/13/171132313.db2.gz UXGQDKFRWSXOAN-UHFFFAOYSA-N 0 0 275.355 3.865 10 0 CHAERN CC(C)c1ccccc1N[C@@H](C)C(=O)NC1CCCC1 ZINC000020301074 171138805 /nfs/dbraw/zinc/13/88/05/171138805.db2.gz QQZMCXDJBHTUTI-ZDUSSCGKSA-N 0 0 274.408 3.669 10 0 CHAERN C[C@@H](Nc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC000020300861 171138980 /nfs/dbraw/zinc/13/89/80/171138980.db2.gz FLPJXKPVCNWMPL-CYBMUJFWSA-N 0 0 282.387 3.699 10 0 CHAERN Cc1cc(F)ccc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000020301511 171138992 /nfs/dbraw/zinc/13/89/92/171138992.db2.gz JGMXFSKJPNGGAH-LBPRGKRZSA-N 0 0 272.323 3.573 10 0 CHAERN CC(C)c1cccc(NCC(=O)Nc2ccc(F)cc2)c1 ZINC000020302980 171140095 /nfs/dbraw/zinc/14/00/95/171140095.db2.gz KUWNLDLBYVTSKQ-UHFFFAOYSA-N 0 0 286.350 4.000 10 0 CHAERN Cc1ccc(N2C(=S)N=NC2c2cccs2)cc1C ZINC000020303855 171140513 /nfs/dbraw/zinc/14/05/13/171140513.db2.gz GMODPNOMMCDJOH-UHFFFAOYSA-N 0 0 287.413 3.901 10 0 CHAERN CC(C)CNC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020313938 171145634 /nfs/dbraw/zinc/14/56/34/171145634.db2.gz FLEFWTQLFDXBAV-SECBINFHSA-N 0 0 289.206 3.566 10 0 CHAERN CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N ZINC000020344173 171154091 /nfs/dbraw/zinc/15/40/91/171154091.db2.gz CARPXUCGTQCWKX-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN CCCCCCNc1cccc(N2CCCC2=O)c1 ZINC000020360553 171159024 /nfs/dbraw/zinc/15/90/24/171159024.db2.gz ZVENZPPITNJPHA-UHFFFAOYSA-N 0 0 260.381 3.806 10 0 CHAERN Cc1ccc(O)c(C(=O)Nc2cccc(Cl)c2F)c1 ZINC000020363110 171162262 /nfs/dbraw/zinc/16/22/62/171162262.db2.gz VWSTWHLGPZHAPX-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020365048 171163745 /nfs/dbraw/zinc/16/37/45/171163745.db2.gz DXIIQZOUDIPMGF-LLVKDONJSA-N 0 0 280.437 3.514 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366361 171165406 /nfs/dbraw/zinc/16/54/06/171165406.db2.gz BILVRCHLFWUJGA-DTWKUNHWSA-N 0 0 289.206 3.709 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1ccc(SC)cc1 ZINC000020367549 171165645 /nfs/dbraw/zinc/16/56/45/171165645.db2.gz QSABZHKWORYUEJ-NSHDSACASA-N 0 0 280.437 3.514 10 0 CHAERN C[C@@H](Nc1ncccc1N)C12CC3CC(CC(C3)C1)C2 ZINC000020382052 171172434 /nfs/dbraw/zinc/17/24/34/171172434.db2.gz OESZQHVVCGFJSZ-SFCYXTAJSA-N 0 0 271.408 3.681 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Cc2ccccn2)cc1 ZINC000020427219 171192789 /nfs/dbraw/zinc/19/27/89/171192789.db2.gz NYAPBXKNUMNMHP-UHFFFAOYSA-N 0 0 253.345 3.805 10 0 CHAERN CCc1nnc(SCCC(C)C)n1-c1ccccc1 ZINC000020427675 171193457 /nfs/dbraw/zinc/19/34/57/171193457.db2.gz AFQMPQHCSTUFEX-UHFFFAOYSA-N 0 0 275.421 3.968 10 0 CHAERN OCc1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000020435393 171201130 /nfs/dbraw/zinc/20/11/30/171201130.db2.gz NOGLKVZTLVNUHT-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN CCCOc1ccc(Oc2ccccc2CO)cc1 ZINC000020473965 171217980 /nfs/dbraw/zinc/21/79/80/171217980.db2.gz MJBNFFWTTRLWSQ-UHFFFAOYSA-N 0 0 258.317 3.760 10 0 CHAERN Fc1cccc(F)c1N[C@@H]1CCOc2ccccc21 ZINC000020476071 171220375 /nfs/dbraw/zinc/22/03/75/171220375.db2.gz QBJGDJLAPCUTDB-CYBMUJFWSA-N 0 0 261.271 3.901 10 0 CHAERN CCCCCCOCc1ccc(C(=O)OC)cc1 ZINC000020506676 171228624 /nfs/dbraw/zinc/22/86/24/171228624.db2.gz QJRPYLJOJWTGBJ-UHFFFAOYSA-N 0 0 250.338 3.570 10 0 CHAERN FC(F)C(F)(F)COc1cccc(Br)c1 ZINC000020518690 171233265 /nfs/dbraw/zinc/23/32/65/171233265.db2.gz VRRJRTYDDGIWOO-UHFFFAOYSA-N 0 0 287.050 3.728 10 0 CHAERN COc1ccc(C)cc1N[C@@H](C)CC(C)(C)OC ZINC000020524343 171237146 /nfs/dbraw/zinc/23/71/46/171237146.db2.gz MLFOSNRKDANFPX-LBPRGKRZSA-N 0 0 251.370 3.619 10 0 CHAERN COC(C)(C)C[C@@H](C)Nc1cccc2ncccc21 ZINC000020524277 171237438 /nfs/dbraw/zinc/23/74/38/171237438.db2.gz ZCVKGFFITIFCRE-GFCCVEGCSA-N 0 0 258.365 3.850 10 0 CHAERN COC(C)(C)C[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000020524285 171237443 /nfs/dbraw/zinc/23/74/43/171237443.db2.gz VXBPLYYDFBYTFF-MRVPVSSYSA-N 0 0 261.287 3.719 10 0 CHAERN CC(=O)c1nc(-c2cccc(Br)c2)oc1C ZINC000020525479 171238176 /nfs/dbraw/zinc/23/81/76/171238176.db2.gz SXLAIZFBEFSWIV-UHFFFAOYSA-N 0 0 280.121 3.615 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCc1cc(C(N)=S)ccc1F ZINC000020551924 171247475 /nfs/dbraw/zinc/24/74/75/171247475.db2.gz UJZQKRDWWZYPDX-ABAIWWIYSA-N 0 0 295.423 3.945 10 0 CHAERN CN(Cc1cccc(F)c1)c1ccc(N)cc1Cl ZINC000020559462 171251010 /nfs/dbraw/zinc/25/10/10/171251010.db2.gz PUWCLGHPWORVLN-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN COc1cc(NC2[C@H](C)CCC[C@@H]2C)cc(OC)c1 ZINC000020560445 171251383 /nfs/dbraw/zinc/25/13/83/171251383.db2.gz NJVLAHQJPOPCJR-HBBFGDNQSA-N 0 0 263.381 3.940 10 0 CHAERN Cc1cnn([C@H](C)c2ccc(CC(C)C)cc2)c1N ZINC000020578761 171256741 /nfs/dbraw/zinc/25/67/41/171256741.db2.gz IEILGXMPRBXCAN-CYBMUJFWSA-N 0 0 257.381 3.582 10 0 CHAERN Cc1cnn([C@H](C)c2ccc3ccccc3c2)c1N ZINC000020578830 171256962 /nfs/dbraw/zinc/25/69/62/171256962.db2.gz SVWJVSUTPCMIAZ-GFCCVEGCSA-N 0 0 251.333 3.536 10 0 CHAERN CCCC1N=NC(=S)N1c1cccc(C(C)C)c1 ZINC000020590985 171261393 /nfs/dbraw/zinc/26/13/93/171261393.db2.gz NOZGCDCXZQPLTP-UHFFFAOYSA-N 0 0 261.394 3.632 10 0 CHAERN Cc1cc([C@@H](N)c2oc3ccccc3c2C)c(C)o1 ZINC000020592888 171262518 /nfs/dbraw/zinc/26/25/18/171262518.db2.gz BZMURURCRSAJMK-OAHLLOKOSA-N 0 0 255.317 3.999 10 0 CHAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000020592856 171262684 /nfs/dbraw/zinc/26/26/84/171262684.db2.gz HKNHBVBMCHFSQE-AWEZNQCLSA-N 0 0 258.708 3.529 10 0 CHAERN CCSc1nnc(C(C)(C)C)n1-c1ccccc1 ZINC000020838563 171275551 /nfs/dbraw/zinc/27/55/51/171275551.db2.gz KODXOMMOBMETKB-UHFFFAOYSA-N 0 0 261.394 3.677 10 0 CHAERN Clc1nc2ccccc2cc1CNCc1ccco1 ZINC000020967206 171282164 /nfs/dbraw/zinc/28/21/64/171282164.db2.gz ZKAOFFWQUOVRLZ-UHFFFAOYSA-N 0 0 272.735 3.771 10 0 CHAERN COc1ccc(C)cc1C(=O)NCCC1=CCCCC1 ZINC000021003013 171284618 /nfs/dbraw/zinc/28/46/18/171284618.db2.gz GUNKKCJSZPMJAM-UHFFFAOYSA-N 0 0 273.376 3.624 10 0 CHAERN CC(=O)Nc1cc(C)ccc1NC(=O)c1ccccc1C ZINC000021004075 171284961 /nfs/dbraw/zinc/28/49/61/171284961.db2.gz BILYXVFVPDYZPU-UHFFFAOYSA-N 0 0 282.343 3.514 10 0 CHAERN CC[C@H](C[C@@H](C)CC)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000021014850 171289210 /nfs/dbraw/zinc/28/92/10/171289210.db2.gz ICTHMPLRHMUAAP-NWDGAFQWSA-N 0 0 288.391 3.539 10 0 CHAERN CC[C@@H](C)C[C@H](CC)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000021014852 171289324 /nfs/dbraw/zinc/28/93/24/171289324.db2.gz ICTHMPLRHMUAAP-NEPJUHHUSA-N 0 0 288.391 3.539 10 0 CHAERN Nc1cc(Cl)ccc1-c1nc(-c2cccs2)no1 ZINC000021016003 171289776 /nfs/dbraw/zinc/28/97/76/171289776.db2.gz KBWRXXXXQCVRNH-UHFFFAOYSA-N 0 0 277.736 3.701 10 0 CHAERN CC(=O)c1cccc(NC(=O)C=Cc2cccc(C)c2)c1 ZINC000021336778 171303037 /nfs/dbraw/zinc/30/30/37/171303037.db2.gz JUNKZJSPUKDXLJ-MDZDMXLPSA-N 0 0 279.339 3.850 10 0 CHAERN O=Cc1ccccc1O[C@@H]1CCCc2ccccc21 ZINC000021502875 171306573 /nfs/dbraw/zinc/30/65/73/171306573.db2.gz LMNIJAOPQYBSDB-QGZVFWFLSA-N 0 0 252.313 3.956 10 0 CHAERN CCc1cccc(CC)c1Nc1cc(C(N)=S)ccn1 ZINC000021508475 171308842 /nfs/dbraw/zinc/30/88/42/171308842.db2.gz YQGHFPPTAWUZPQ-UHFFFAOYSA-N 0 0 285.416 3.584 10 0 CHAERN CCC[C@H](C)CNc1ccc2c(c1)OC(F)(F)O2 ZINC000021804579 171326902 /nfs/dbraw/zinc/32/69/02/171326902.db2.gz OGJPHSPZGNYBMX-VIFPVBQESA-N 0 0 257.280 3.856 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000021955532 171341306 /nfs/dbraw/zinc/34/13/06/171341306.db2.gz GIEVOEAFUVFXCV-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccccc1F ZINC000021957470 171341936 /nfs/dbraw/zinc/34/19/36/171341936.db2.gz HRGAGFCEMDIUHO-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@@]45C[C@@]34CCC(=O)C5)[C@@H]1CCC2=O ZINC000022055235 171350991 /nfs/dbraw/zinc/35/09/91/171350991.db2.gz ZXOGTZPVVUQMNN-NLQHDTCZSA-N 0 0 286.415 3.921 10 0 CHAERN Nc1cc(NC(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000022141678 171355003 /nfs/dbraw/zinc/35/50/03/171355003.db2.gz BNNGFFZSVLJHQM-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000022144568 171355914 /nfs/dbraw/zinc/35/59/14/171355914.db2.gz QWQSHXDYKUARMI-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Nc1ccc(F)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000022146554 171356788 /nfs/dbraw/zinc/35/67/88/171356788.db2.gz OBSQKMIBSDQMEP-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)CC1CCCC1 ZINC000022146291 171356839 /nfs/dbraw/zinc/35/68/39/171356839.db2.gz WUIZFIALEKBSGP-UHFFFAOYSA-N 0 0 286.297 3.806 10 0 CHAERN CCCCN(CCCC)c1nc2sccn2c1C=O ZINC000022157676 171363139 /nfs/dbraw/zinc/36/31/39/171363139.db2.gz ISOQSFKWSHUPHM-UHFFFAOYSA-N 0 0 279.409 3.615 10 0 CHAERN Cc1cccc(NC(=O)Nc2nc3ccc(N)cc3s2)c1 ZINC000022217372 171376084 /nfs/dbraw/zinc/37/60/84/171376084.db2.gz BEWZDNZNLFIGOA-UHFFFAOYSA-N 0 0 298.371 3.831 10 0 CHAERN COc1cccc(C(=O)c2coc3ccccc23)c1 ZINC000027529716 171519589 /nfs/dbraw/zinc/51/95/89/171519589.db2.gz GWBZENDTQXLNIC-UHFFFAOYSA-N 0 0 252.269 3.672 10 0 CHAERN CN(C)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1 ZINC000028710713 171571356 /nfs/dbraw/zinc/57/13/56/171571356.db2.gz QIMAUWZLCYTWFA-UHFFFAOYSA-N 0 0 271.751 3.721 10 0 CHAERN COc1cccc2c(C)cc(=O)n(CCc3ccccc3)c12 ZINC000032530812 171732193 /nfs/dbraw/zinc/73/21/93/171732193.db2.gz HQCQXNCZTBBZID-UHFFFAOYSA-N 0 0 293.366 3.561 10 0 CHAERN Cc1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000033329809 171784604 /nfs/dbraw/zinc/78/46/04/171784604.db2.gz OAORCQUAXKZIGG-XFXZXTDPSA-N 0 0 296.395 3.521 10 0 CHAERN CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OC)cc1 ZINC000033605204 171814512 /nfs/dbraw/zinc/81/45/12/171814512.db2.gz KHDNBLKBTBOSDJ-CYBMUJFWSA-N 0 0 292.375 3.846 10 0 CHAERN COc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1 ZINC000033814995 171821203 /nfs/dbraw/zinc/82/12/03/171821203.db2.gz MQUZZZVJAVDIPR-OAHLLOKOSA-N 0 0 272.275 3.541 10 0 in-vivo CHAERN CC(=O)c1c(-c2ccccc2)oc2ccccc2c1=O ZINC000034091283 171831422 /nfs/dbraw/zinc/83/14/22/171831422.db2.gz OLSYKHGNUXGDNP-UHFFFAOYSA-N 0 0 264.280 3.663 10 0 CHAERN O=C(COc1ccccc1)c1ccccc1Br ZINC000034529786 171843242 /nfs/dbraw/zinc/84/32/42/171843242.db2.gz IGPPSIYPTRSDCT-UHFFFAOYSA-N 0 0 291.144 3.711 10 0 CHAERN C[C@@H]1CC=CC[C@H]1COCc1ccc(Cl)nc1 ZINC000034958416 171903695 /nfs/dbraw/zinc/90/36/95/171903695.db2.gz UDRNAFFLXLTRDF-YPMHNXCESA-N 0 0 251.757 3.854 10 0 CHAERN CC(=O)c1ccc(Nc2ncc(Br)s2)cc1 ZINC000034987507 171914373 /nfs/dbraw/zinc/91/43/73/171914373.db2.gz IGLFYBIFTRNUCG-UHFFFAOYSA-N 0 0 297.177 3.852 10 0 CHAERN O=C(Nc1ccc(F)cc1F)c1c[nH]c2ccccc12 ZINC000035134637 172001609 /nfs/dbraw/zinc/00/16/09/172001609.db2.gz DJXBCZUWSIFPCA-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN C[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000035135046 172002026 /nfs/dbraw/zinc/00/20/26/172002026.db2.gz WJVMZELGLXLVEM-SCSAIBSYSA-N 0 0 251.198 3.593 10 0 CHAERN COC(=O)[C@H](C)CSc1ccc(C(C)(C)C)cc1 ZINC000035138092 172005308 /nfs/dbraw/zinc/00/53/08/172005308.db2.gz IVLQHIZRXNTROP-LLVKDONJSA-N 0 0 266.406 3.885 10 0 CHAERN Fc1cc(Br)ccc1NC[C@H]1CCCCO1 ZINC000035150793 172013699 /nfs/dbraw/zinc/01/36/99/172013699.db2.gz MWAGHSBNDVSHDM-SNVBAGLBSA-N 0 0 288.160 3.569 10 0 CHAERN Clc1cc(Cl)cc(NC[C@H]2CCCCO2)c1 ZINC000035150759 172013909 /nfs/dbraw/zinc/01/39/09/172013909.db2.gz YKFWCQIWBVVKQC-GFCCVEGCSA-N 0 0 260.164 3.974 10 0 CHAERN C=CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000035160157 172018538 /nfs/dbraw/zinc/01/85/38/172018538.db2.gz BZQKRRGOLIBALB-UHFFFAOYSA-N 0 0 250.512 3.771 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CC[C@H]2CCCC[C@H]2C1 ZINC000035161472 172021296 /nfs/dbraw/zinc/02/12/96/172021296.db2.gz DWEDHUYSNLIPPL-KGLIPLIRSA-N 0 0 282.387 3.820 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CCC[C@H]2CCCC[C@H]21 ZINC000035161489 172021392 /nfs/dbraw/zinc/02/13/92/172021392.db2.gz RAOSJMZXOCPNQJ-CXAGYDPISA-N 0 0 282.387 3.963 10 0 CHAERN Cc1ccc2cccc(OCc3nnsc3Cl)c2n1 ZINC000035163643 172024601 /nfs/dbraw/zinc/02/46/01/172024601.db2.gz CYJDUCZJQDSHBK-UHFFFAOYSA-N 0 0 291.763 3.627 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(F)c(F)c2)cc1C ZINC000035182316 172036285 /nfs/dbraw/zinc/03/62/85/172036285.db2.gz LPTZVFUZSHOVBN-UHFFFAOYSA-N 0 0 276.282 3.843 10 0 CHAERN C[C@H](Oc1ccccc1F)C(=O)c1ccc(F)cc1 ZINC000035183554 172036983 /nfs/dbraw/zinc/03/69/83/172036983.db2.gz LRPWKJXBYUXXSQ-JTQLQIEISA-N 0 0 262.255 3.615 10 0 CHAERN Cc1ccccc1O[C@H](C)C(=O)c1ccc(F)cc1 ZINC000035183794 172037374 /nfs/dbraw/zinc/03/73/74/172037374.db2.gz GCARBEMTTKUAJC-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1cccc(O[C@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035183730 172037508 /nfs/dbraw/zinc/03/75/08/172037508.db2.gz QAXBFKSVWMZAGY-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN CC(=O)c1cc(C)ccc1OCc1csc(C)n1 ZINC000035205777 172049484 /nfs/dbraw/zinc/04/94/84/172049484.db2.gz OVHXRLSRBUXJJM-UHFFFAOYSA-N 0 0 261.346 3.542 10 0 CHAERN Cc1cc(C)n(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000035206561 172051443 /nfs/dbraw/zinc/05/14/43/172051443.db2.gz XUDSPGPHZWTFFB-UHFFFAOYSA-N 0 0 275.661 3.556 10 0 CHAERN CCC(CC)N(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000035208012 172054202 /nfs/dbraw/zinc/05/42/02/172054202.db2.gz WCXORPSOJVSRFJ-UHFFFAOYSA-N 0 0 272.392 3.748 10 0 CHAERN CC1CCN(c2n[nH]c(=S)n2C2CCCCC2)CC1 ZINC000035222040 172064965 /nfs/dbraw/zinc/06/49/65/172064965.db2.gz FKAIJPBBNUZNTQ-UHFFFAOYSA-N 0 0 280.441 3.682 10 0 CHAERN C[C@H]1C[C@H](C)CN(c2n[nH]c(=S)n2C2CCCCC2)C1 ZINC000035222132 172065582 /nfs/dbraw/zinc/06/55/82/172065582.db2.gz JQEGTETWLXYOEW-RYUDHWBXSA-N 0 0 294.468 3.928 10 0 CHAERN Cc1ccc(NC(=O)Nc2ccc(C)cc2N)cc1 ZINC000035282686 172101628 /nfs/dbraw/zinc/10/16/28/172101628.db2.gz NQHAMOOTSSQCLM-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Oc1ccccc1OCc1ccc(Br)cc1F ZINC000035285131 172103561 /nfs/dbraw/zinc/10/35/61/172103561.db2.gz BTGVYLWRMWMRPV-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN Nc1ccc(F)cc1COc1ccccc1Br ZINC000035308806 172121781 /nfs/dbraw/zinc/12/17/81/172121781.db2.gz JDYQAYNSMNUPTP-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN COc1ccc(C(=O)Cc2ccccc2)c(Cl)c1 ZINC000035325292 172127610 /nfs/dbraw/zinc/12/76/10/172127610.db2.gz IMZNLUCBTKQPQR-UHFFFAOYSA-N 0 0 260.720 3.774 10 0 CHAERN Nc1ccc(Oc2ccccc2F)c2ncccc12 ZINC000035342195 172134087 /nfs/dbraw/zinc/13/40/87/172134087.db2.gz QAAAMHLPJNDKQO-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN Cc1nc2cc(NCc3ccccc3)c(N)cc2s1 ZINC000035342449 172134858 /nfs/dbraw/zinc/13/48/58/172134858.db2.gz BEYYUXQYSIDADP-UHFFFAOYSA-N 0 0 269.373 3.799 10 0 CHAERN Cc1nc2cc(SCC(C)C)c(N)cc2s1 ZINC000035343089 172135170 /nfs/dbraw/zinc/13/51/70/172135170.db2.gz XFVOIINNRWUIBN-UHFFFAOYSA-N 0 0 252.408 3.935 10 0 CHAERN Nc1c2ncsc2ccc1SCc1ccco1 ZINC000035345059 172137209 /nfs/dbraw/zinc/13/72/09/172137209.db2.gz VWGZYYUTJXDQBK-UHFFFAOYSA-N 0 0 262.359 3.764 10 0 CHAERN CC(C)CCCOc1ccc2scnc2c1N ZINC000035344965 172137330 /nfs/dbraw/zinc/13/73/30/172137330.db2.gz YUHAQLWZDFFWCC-UHFFFAOYSA-N 0 0 250.367 3.694 10 0 CHAERN O=C(c1cc2c(cc1Cl)NC(=O)C2)C1CCCCC1 ZINC000035359301 172149911 /nfs/dbraw/zinc/14/99/11/172149911.db2.gz GCZUOWMJNBPXGP-UHFFFAOYSA-N 0 0 277.751 3.598 10 0 CHAERN COc1ccc(Br)cc1C(=O)c1occc1C ZINC000035369366 172160920 /nfs/dbraw/zinc/16/09/20/172160920.db2.gz YPQQBZSJRQZLJQ-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN Cc1cc(C(=O)c2c[nH]c3cccc(C)c32)c(C)o1 ZINC000035369706 172161400 /nfs/dbraw/zinc/16/14/00/172161400.db2.gz LSRRXOXETCIFCB-UHFFFAOYSA-N 0 0 253.301 3.917 10 0 CHAERN CN[C@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000035468614 172217454 /nfs/dbraw/zinc/21/74/54/172217454.db2.gz DVOXBDPOGPAMSG-AWEZNQCLSA-N 0 0 267.706 3.927 10 0 CHAERN CN[C@@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035491629 172225664 /nfs/dbraw/zinc/22/56/64/172225664.db2.gz UQGPBUIYVVTLPK-CQSZACIVSA-N 0 0 267.706 3.927 10 0 CHAERN CCN[C@@H](c1ccc2c(c1)CCCC2)C(F)(F)F ZINC000035510734 172242330 /nfs/dbraw/zinc/24/23/30/172242330.db2.gz JFDPFMPDIVOTRF-ZDUSSCGKSA-N 0 0 257.299 3.778 10 0 CHAERN CCN[C@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000035540456 172246771 /nfs/dbraw/zinc/24/67/71/172246771.db2.gz PTMJOVXDSXPUAW-SECBINFHSA-N 0 0 253.214 3.535 10 0 CHAERN CCN[C@H](c1ccc(OC)cc1)C(F)(F)C(F)(F)F ZINC000035540729 172247207 /nfs/dbraw/zinc/24/72/07/172247207.db2.gz FQOGTCZBKPKOGO-SNVBAGLBSA-N 0 0 283.240 3.543 10 0 CHAERN CCN[C@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035544515 172252404 /nfs/dbraw/zinc/25/24/04/172252404.db2.gz NOJMLJQFZLNLOX-CYBMUJFWSA-N 0 0 271.307 3.864 10 0 CHAERN CCN[C@@H](c1ccc(C)o1)c1ccc(F)cc1F ZINC000035547238 172255306 /nfs/dbraw/zinc/25/53/06/172255306.db2.gz OBFPOVZKENWCKE-CQSZACIVSA-N 0 0 251.276 3.565 10 0 CHAERN Cc1ccccc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000035553286 172259778 /nfs/dbraw/zinc/25/97/78/172259778.db2.gz UFVYEHOHUMZSAP-UHFFFAOYSA-N 0 0 268.360 3.940 10 0 CHAERN C[C@@H](O)c1ccccc1OC/C=C/c1ccccc1 ZINC000035627191 172306075 /nfs/dbraw/zinc/30/60/75/172306075.db2.gz ACDBBXTVTWDEIK-DNGMOHDESA-N 0 0 254.329 3.832 10 0 CHAERN C[C@@H](O)CCc1ccc(OCc2cccs2)cc1 ZINC000035627411 172306410 /nfs/dbraw/zinc/30/64/10/172306410.db2.gz QIPOSRDFVHKYFH-GFCCVEGCSA-N 0 0 262.374 3.641 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N1CCc2ccccc21 ZINC000035631350 172313630 /nfs/dbraw/zinc/31/36/30/172313630.db2.gz ZBKQAUZLXYHLFL-LLVKDONJSA-N 0 0 257.308 3.573 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000035632285 172314807 /nfs/dbraw/zinc/31/48/07/172314807.db2.gz BWDUCFMBSWHGOY-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COc1ccccc1Oc1cccc(F)c1[C@H](C)O ZINC000035632336 172314966 /nfs/dbraw/zinc/31/49/66/172314966.db2.gz OHCYTLOQOURGNJ-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN Cc1cc(Oc2cccc(C)c2N)nc(C(C)C)n1 ZINC000035663841 172342814 /nfs/dbraw/zinc/34/28/14/172342814.db2.gz BJDIIPWIVAYFCZ-UHFFFAOYSA-N 0 0 257.337 3.591 10 0 CHAERN C[C@@H](Nc1ccc(Br)cc1N)c1cccnc1 ZINC000035692046 172360581 /nfs/dbraw/zinc/36/05/81/172360581.db2.gz PRPWLZWEYDUMCU-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN C[C@@H](Nc1ccc(Br)cc1N)c1ccncc1 ZINC000035693225 172362512 /nfs/dbraw/zinc/36/25/12/172362512.db2.gz HRYPCLHYCZPGAH-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc(CN(C)c2ccc(Br)cc2N)o1 ZINC000035699242 172368217 /nfs/dbraw/zinc/36/82/17/172368217.db2.gz ZDQGNSJLIAXRPB-UHFFFAOYSA-N 0 0 295.180 3.569 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717888 172371924 /nfs/dbraw/zinc/37/19/24/172371924.db2.gz JEMOQKRDVRVFKS-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN CN(Cc1ccsc1)c1ccc(N)cc1Cl ZINC000035718721 172373227 /nfs/dbraw/zinc/37/32/27/172373227.db2.gz UDXWYURYIRVIHS-UHFFFAOYSA-N 0 0 252.770 3.620 10 0 CHAERN COc1ccc([C@@H](C)N[C@@H](C)c2ccco2)c(OC)c1 ZINC000035738769 172392320 /nfs/dbraw/zinc/39/23/20/172392320.db2.gz KEGQTEOCAJUEDO-NEPJUHHUSA-N 0 0 275.348 3.709 10 0 CHAERN C[C@H]1CC(=O)c2cc(Br)ccc2S1 ZINC000035741344 172394509 /nfs/dbraw/zinc/39/45/09/172394509.db2.gz TUDXZEWVFKFPIM-LURJTMIESA-N 0 0 257.152 3.516 10 0 CHAERN C[C@H](CC(=O)[O-])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000035752478 172396646 /nfs/dbraw/zinc/39/66/46/172396646.db2.gz FQVFBNGVMVRTRF-OAHLLOKOSA-N 0 0 283.371 3.552 10 0 CHAERN COC(=O)[C@@H](C)CNc1cc(Cl)c(Cl)cc1Cl ZINC000035757697 172397976 /nfs/dbraw/zinc/39/79/76/172397976.db2.gz YJEGFOFVCLTOJQ-LURJTMIESA-N 0 0 296.581 3.868 10 0 CHAERN CCC(=O)N1CCc2cc(OC)ccc2[C@H]1c1ccccc1 ZINC000036114413 172444308 /nfs/dbraw/zinc/44/43/08/172444308.db2.gz RWAUZPHYMQFYSS-LJQANCHMSA-N 0 0 295.382 3.579 10 0 CHAERN Fc1ccc(NCc2cccc3c2OCO3)c(Cl)c1 ZINC000036168342 172485323 /nfs/dbraw/zinc/48/53/23/172485323.db2.gz KHRFKZHPEPANQE-UHFFFAOYSA-N 0 0 279.698 3.820 10 0 CHAERN COc1cc(OC)cc(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000036205386 172516760 /nfs/dbraw/zinc/51/67/60/172516760.db2.gz ICVKYWZRFLWYBN-SNVBAGLBSA-N 0 0 292.306 3.689 10 0 CHAERN Fc1ccc(Br)cc1NC[C@@H]1CCCCO1 ZINC000036231010 172528192 /nfs/dbraw/zinc/52/81/92/172528192.db2.gz QUBMCPKHCQLLIN-JTQLQIEISA-N 0 0 288.160 3.569 10 0 CHAERN OCc1ccc(Br)cc1Oc1ccc(F)cc1 ZINC000036985527 172850909 /nfs/dbraw/zinc/85/09/09/172850909.db2.gz WIOXLDMZQRXCGP-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN CCC[C@H](C)CNc1ccccc1S(=O)(=O)C(F)F ZINC000037086411 172943543 /nfs/dbraw/zinc/94/35/43/172943543.db2.gz QEQMNHLDCYDVIE-JTQLQIEISA-N 0 0 291.363 3.531 10 0 CHAERN CCC[C@@H](C)CNc1cc(C(=O)N(C)C)ccc1Cl ZINC000037125344 172971219 /nfs/dbraw/zinc/97/12/19/172971219.db2.gz CAYFBKOOLVKQMM-LLVKDONJSA-N 0 0 282.815 3.890 10 0 CHAERN CSc1cccc(NCc2cn(C)nc2C(C)C)c1 ZINC000037188419 173018119 /nfs/dbraw/zinc/01/81/19/173018119.db2.gz YUDJBJQWQMDARF-UHFFFAOYSA-N 0 0 275.421 3.878 10 0 CHAERN CC(=O)Nc1ccc(N[C@@H](C)c2scnc2C)cc1 ZINC000037187618 173018613 /nfs/dbraw/zinc/01/86/13/173018613.db2.gz QGIQLSRFZJLNED-JTQLQIEISA-N 0 0 275.377 3.583 10 0 CHAERN CC(C)(C)c1nc(CSc2ncccc2N)cs1 ZINC000037190547 173019942 /nfs/dbraw/zinc/01/99/42/173019942.db2.gz ZUSLRWFAISFNNE-UHFFFAOYSA-N 0 0 279.434 3.710 10 0 CHAERN Nc1ccc(SCc2c(F)cccc2Cl)cn1 ZINC000037192492 173022044 /nfs/dbraw/zinc/02/20/44/173022044.db2.gz JMVSCQYVOMIIHL-UHFFFAOYSA-N 0 0 268.744 3.749 10 0 CHAERN Fc1ccc(F)c(N[C@@H]2CCc3ccccc3C2)c1 ZINC000037198425 173024846 /nfs/dbraw/zinc/02/48/46/173024846.db2.gz XSFJRRFAQCEHGE-CQSZACIVSA-N 0 0 259.299 3.934 10 0 CHAERN Cc1ccc(NCc2cn(C)nc2C(C)C)cc1C ZINC000037202396 173025990 /nfs/dbraw/zinc/02/59/90/173025990.db2.gz HRPOJDRCYFWMTM-UHFFFAOYSA-N 0 0 257.381 3.772 10 0 CHAERN Nc1nc(Cc2nc3cccc(Cl)c3s2)cs1 ZINC000037206058 173027454 /nfs/dbraw/zinc/02/74/54/173027454.db2.gz PXJYIPGGJISSJG-UHFFFAOYSA-N 0 0 281.793 3.579 10 0 CHAERN CC(C)(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000037291259 173096625 /nfs/dbraw/zinc/09/66/25/173096625.db2.gz AAQJALGHYUKGPZ-UHFFFAOYSA-N 0 0 283.297 3.771 10 0 CHAERN CC[C@H](Nc1ccccc1Cn1cccn1)C(C)C ZINC000037292464 173096628 /nfs/dbraw/zinc/09/66/28/173096628.db2.gz SFYXNLHRSFFROV-HNNXBMFYSA-N 0 0 257.381 3.778 10 0 CHAERN CC[C@H](Nc1cnc(-c2ccccc2)nc1)C(C)C ZINC000037302827 173107960 /nfs/dbraw/zinc/10/79/60/173107960.db2.gz POKLQEDGPSIVPP-HNNXBMFYSA-N 0 0 255.365 3.990 10 0 CHAERN COc1cc(Cl)c(C)cc1Nc1ccc(Cl)nn1 ZINC000037329071 173130645 /nfs/dbraw/zinc/13/06/45/173130645.db2.gz WYGBQPWTQXNOCX-UHFFFAOYSA-N 0 0 284.146 3.844 10 0 CHAERN Cc1cccc(NC(=O)Nc2c(C)cccc2N)c1 ZINC000037331187 173132324 /nfs/dbraw/zinc/13/23/24/173132324.db2.gz VKDHRNMFYKJJPS-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN C[C@H]1CCCC[C@H]1OCC(=O)c1cc(F)ccc1F ZINC000037343839 173143282 /nfs/dbraw/zinc/14/32/82/173143282.db2.gz XKIPYSKVKJIFJR-ZUZCIYMTSA-N 0 0 268.303 3.743 10 0 CHAERN Cc1cccc(-c2[nH]nc(N)c2-c2ccc(F)cc2)c1 ZINC000037348879 173143735 /nfs/dbraw/zinc/14/37/35/173143735.db2.gz WNUUFFLKVDKXDW-UHFFFAOYSA-N 0 0 267.307 3.773 10 0 CHAERN Cn1nc(C2CCC2)c(-c2c(F)cccc2Cl)c1N ZINC000037351382 173145515 /nfs/dbraw/zinc/14/55/15/173145515.db2.gz RBQBVJLWGGKGRO-UHFFFAOYSA-N 0 0 279.746 3.729 10 0 CHAERN Cc1ccc(C)c(C(=O)c2c(F)cc(F)cc2F)c1 ZINC000037358875 173148818 /nfs/dbraw/zinc/14/88/18/173148818.db2.gz MKEVXPAQNKEOOV-UHFFFAOYSA-N 0 0 264.246 3.952 10 0 CHAERN O=C([O-])[C@@H](c1c(Cl)cccc1Cl)[NH+]1CCCCC1 ZINC000037361997 173151708 /nfs/dbraw/zinc/15/17/08/173151708.db2.gz MOSLMZKIRTZEDZ-GFCCVEGCSA-N 0 0 288.174 3.605 10 0 CHAERN CCN(C)c1cc(Oc2ccc(F)cc2Cl)ncn1 ZINC000037377077 173166595 /nfs/dbraw/zinc/16/65/95/173166595.db2.gz XFJABTAPVIOKOE-UHFFFAOYSA-N 0 0 281.718 3.518 10 0 CHAERN Nc1ccccc1CSc1ccc(F)cc1F ZINC000037381867 173168185 /nfs/dbraw/zinc/16/81/85/173168185.db2.gz UIKYUIIKQZGOBR-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Cc1cccc(-c2nc3cc(Cl)ccc3n2C)c1N ZINC000037440242 173210476 /nfs/dbraw/zinc/21/04/76/173210476.db2.gz ZFPBKXUWCMHULL-UHFFFAOYSA-N 0 0 271.751 3.784 10 0 CHAERN Cc1nn(C)c(Cl)c1COCc1ccccc1Cl ZINC000037515421 173246670 /nfs/dbraw/zinc/24/66/70/173246670.db2.gz NYXVXWNIIUNAAW-UHFFFAOYSA-N 0 0 285.174 3.752 10 0 CHAERN C[C@H]1CC(C)(C)C[C@](O)(Cc2ccccc2F)C1 ZINC000037529918 173252888 /nfs/dbraw/zinc/25/28/88/173252888.db2.gz VJIHMLHHBOPYOA-BLLLJJGKSA-N 0 0 250.357 3.946 10 0 CHAERN C[C@@](O)(Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037530704 173252963 /nfs/dbraw/zinc/25/29/63/173252963.db2.gz JSOBVIGJAIPTET-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN O[C@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000037532289 173253842 /nfs/dbraw/zinc/25/38/42/173253842.db2.gz ZEUFDPCQPKSNLI-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN Nc1ccc(Cl)cc1C(=O)NCCC1CCCCC1 ZINC000037741717 173663360 /nfs/dbraw/zinc/66/33/60/173663360.db2.gz XYQNNGBMKOYAQW-UHFFFAOYSA-N 0 0 280.799 3.622 10 0 CHAERN Cc1ccc2oc([C@H]3Cc4ccccc4N3)nc2c1 ZINC000037746416 173668365 /nfs/dbraw/zinc/66/83/65/173668365.db2.gz XWTHXWOJBGOUJK-CQSZACIVSA-N 0 0 250.301 3.846 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2Cl)CCCC[C@H]1C ZINC000037955116 173896688 /nfs/dbraw/zinc/89/66/88/173896688.db2.gz UWBFUOQKUKBRGA-ABAIWWIYSA-N 0 0 281.783 3.874 10 0 CHAERN COC(=O)[C@@H](Nc1cccc(Cl)c1)[C@H]1CC=CCC1 ZINC000037955711 173897505 /nfs/dbraw/zinc/89/75/05/173897505.db2.gz NWDUEADDCYNSNS-FZMZJTMJSA-N 0 0 279.767 3.650 10 0 CHAERN CCOC(=O)C1(Nc2ccc(F)cc2)CCCCC1 ZINC000037956252 173897924 /nfs/dbraw/zinc/89/79/24/173897924.db2.gz CJQGZHJDYXWLSJ-UHFFFAOYSA-N 0 0 265.328 3.504 10 0 CHAERN COC(=O)[C@@](C)(NC1CCCCC1)c1cccc(Cl)c1 ZINC000037971932 173923874 /nfs/dbraw/zinc/92/38/74/173923874.db2.gz BEIYQBHBCCWXKX-INIZCTEOSA-N 0 0 295.810 3.651 10 0 CHAERN CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000038028071 174014974 /nfs/dbraw/zinc/01/49/74/174014974.db2.gz YQRSWNFWWBJNRZ-MRXNPFEDSA-N 0 0 275.392 3.639 10 0 CHAERN CCCOc1cccc(CNc2ccc(OC)c(O)c2)c1 ZINC000038038334 174039206 /nfs/dbraw/zinc/03/92/06/174039206.db2.gz XJPYXJNIEBWGCZ-UHFFFAOYSA-N 0 0 287.359 3.802 10 0 CHAERN Nc1cc(F)c(Sc2ncnc3ccccc32)c(F)c1 ZINC000038040453 174040401 /nfs/dbraw/zinc/04/04/01/174040401.db2.gz CYDJUXGQKXWJIT-UHFFFAOYSA-N 0 0 289.310 3.641 10 0 CHAERN COc1ccc(NCc2cc(Cl)ccc2OC)cc1O ZINC000038051587 174062760 /nfs/dbraw/zinc/06/27/60/174062760.db2.gz HMKXELVADSHDTP-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)n2cc(Cl)cn2)cc1C ZINC000038053821 174065187 /nfs/dbraw/zinc/06/51/87/174065187.db2.gz VKHGVOFJZCZRQD-LLVKDONJSA-N 0 0 262.740 3.597 10 0 CHAERN CCc1cc2c(ncnc2Oc2ccccc2N)s1 ZINC000038056611 174067703 /nfs/dbraw/zinc/06/77/03/174067703.db2.gz CCIBJPBERIUJOP-UHFFFAOYSA-N 0 0 271.345 3.628 10 0 CHAERN Cc1ccc(C(=O)c2ccc3c(c2)CCCO3)s1 ZINC000038057617 174068363 /nfs/dbraw/zinc/06/83/63/174068363.db2.gz BFDJYBGVQSCVJL-UHFFFAOYSA-N 0 0 258.342 3.613 10 0 CHAERN CCCC1CCC(N[C@H](C)CC)(C(=O)OCC)CC1 ZINC000038067485 174078926 /nfs/dbraw/zinc/07/89/26/174078926.db2.gz CAIUILQGDPQRSF-VQCLRJIVSA-N 0 0 269.429 3.667 10 0 CHAERN Nc1cccc(-c2ccc(SC(F)F)cc2)n1 ZINC000038069072 174080611 /nfs/dbraw/zinc/08/06/11/174080611.db2.gz LGYXAAHZFBUAQQ-UHFFFAOYSA-N 0 0 252.289 3.646 10 0 CHAERN O=Cc1ccc(-c2ccc3c(c2)CCCO3)cc1F ZINC000038071979 174082544 /nfs/dbraw/zinc/08/25/44/174082544.db2.gz DTPZZNZMPBRKSL-UHFFFAOYSA-N 0 0 256.276 3.630 10 0 CHAERN COc1cc(F)c(-c2ccc(F)c(C=O)c2)c(F)c1 ZINC000038071671 174082608 /nfs/dbraw/zinc/08/26/08/174082608.db2.gz GMTOMQRQEAYURA-UHFFFAOYSA-N 0 0 266.218 3.592 10 0 CHAERN COC(=O)c1sc(Oc2cccc(C)c2)nc1Cl ZINC000038082287 174091291 /nfs/dbraw/zinc/09/12/91/174091291.db2.gz IKFCQDVVMOVETK-UHFFFAOYSA-N 0 0 283.736 3.684 10 0 CHAERN CC(=O)c1ccc(C(C)(C)C)cc1Br ZINC000038241190 174137642 /nfs/dbraw/zinc/13/76/42/174137642.db2.gz XYVLYQOBKLEWKO-UHFFFAOYSA-N 0 0 255.155 3.949 10 0 CHAERN COc1ccc2c(Cl)cc(Cl)nc2c1OC ZINC000039079978 174162990 /nfs/dbraw/zinc/16/29/90/174162990.db2.gz ZGUGOAPGTJSNTO-UHFFFAOYSA-N 0 0 258.104 3.559 10 0 CHAERN CCOC(=O)c1nc(-c2ccc(OC)cc2)sc1Cl ZINC000039121842 174163001 /nfs/dbraw/zinc/16/30/01/174163001.db2.gz KNTAZJIZBHETDE-UHFFFAOYSA-N 0 0 297.763 3.649 10 0 CHAERN Oc1cc(O)c(-c2ccccc2)cc1Br ZINC000039119191 174163328 /nfs/dbraw/zinc/16/33/28/174163328.db2.gz CDNIWJHGJLNDQO-UHFFFAOYSA-N 0 0 265.106 3.527 10 0 CHAERN CCOC(=O)Nc1nc(C(C)(C)C)c(Cl)s1 ZINC000039123757 174163833 /nfs/dbraw/zinc/16/38/33/174163833.db2.gz SGDMQXCJHGIIPA-UHFFFAOYSA-N 0 0 262.762 3.662 10 0 CHAERN Cc1cc(=S)[nH]c2c(Br)cccc12 ZINC000040175150 174200909 /nfs/dbraw/zinc/20/09/09/174200909.db2.gz CINMJDUURHWJID-UHFFFAOYSA-N 0 0 254.152 3.594 10 0 CHAERN CCc1ccc(OCCn2cnc3ccccc32)cc1 ZINC000040223926 174207420 /nfs/dbraw/zinc/20/74/20/174207420.db2.gz ULGPPXXYNXZZJH-UHFFFAOYSA-N 0 0 266.344 3.678 10 0 CHAERN COc1ccc(Br)cc1[C@@H](O)C(C)(C)C ZINC000040241597 174213731 /nfs/dbraw/zinc/21/37/31/174213731.db2.gz IDPHYANIVWFZME-LLVKDONJSA-N 0 0 273.170 3.537 10 0 CHAERN Cc1nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2[nH]1 ZINC000040311878 174231228 /nfs/dbraw/zinc/23/12/28/174231228.db2.gz JXWSHFJTAOACHV-UHFFFAOYSA-N 0 0 285.734 3.777 10 0 CHAERN Cc1ccccc1-c1nc2ccc(Cl)cc2n1CCO ZINC000040401039 174253150 /nfs/dbraw/zinc/25/31/50/174253150.db2.gz FXHLBLMEHNZQSU-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN Cc1ccccc1-c1nc2cc(Cl)ccc2n1CCO ZINC000040401040 174253296 /nfs/dbraw/zinc/25/32/96/174253296.db2.gz VLNKYPRWEJBBOE-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN COCCCn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040402967 174253736 /nfs/dbraw/zinc/25/37/36/174253736.db2.gz PMQLPQAOBMPOPL-UHFFFAOYSA-N 0 0 290.750 3.986 10 0 CHAERN C[C@@H](O)c1cc2c(cccc2OCc2ccccc2)[nH]1 ZINC000040433885 174261049 /nfs/dbraw/zinc/26/10/49/174261049.db2.gz BITKWXSLPTZMHO-GFCCVEGCSA-N 0 0 267.328 3.800 10 0 CHAERN CCN(c1ccccc1)c1ncnc(NC2CCCC2)c1N ZINC000040679788 174374970 /nfs/dbraw/zinc/37/49/70/174374970.db2.gz VDHHOPSRYOUQHP-UHFFFAOYSA-N 0 0 297.406 3.571 10 0 CHAERN CCc1ccc(Oc2ncnc(NC(C)(C)C)c2N)cc1 ZINC000040680743 174375064 /nfs/dbraw/zinc/37/50/64/174375064.db2.gz HEBYLESXPZBVSJ-UHFFFAOYSA-N 0 0 286.379 3.624 10 0 CHAERN Cc1cc(C)cc(Nc2ncnc(NCCC(C)C)c2N)c1 ZINC000040682156 174375497 /nfs/dbraw/zinc/37/54/97/174375497.db2.gz LRDXGSBOGUQNKO-UHFFFAOYSA-N 0 0 299.422 3.877 10 0 CHAERN CC(C)Oc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687869 174375929 /nfs/dbraw/zinc/37/59/29/174375929.db2.gz XFBILGSZFJNBRR-UHFFFAOYSA-N 0 0 295.342 3.792 10 0 CHAERN Cc1ccccc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040708569 174380358 /nfs/dbraw/zinc/38/03/58/174380358.db2.gz QABVLNJGENGMCC-UHFFFAOYSA-N 0 0 297.406 3.855 10 0 CHAERN Cc1ccc(Oc2ncnc(N3CCCCCC3)c2N)cc1 ZINC000040725620 174386981 /nfs/dbraw/zinc/38/69/81/174386981.db2.gz UQJAZCQUAZBVOA-UHFFFAOYSA-N 0 0 298.390 3.540 10 0 CHAERN CCSc1nn2c(C)c(-c3ccccc3)nc2s1 ZINC000040965081 174441184 /nfs/dbraw/zinc/44/11/84/174441184.db2.gz UJQUOGAGDNPUEY-UHFFFAOYSA-N 0 0 275.402 3.878 10 0 CHAERN Cc1ccc2nccc(NC(=O)c3cccs3)c2c1 ZINC000041057254 174465359 /nfs/dbraw/zinc/46/53/59/174465359.db2.gz AFUCXAOEPWNYMD-UHFFFAOYSA-N 0 0 268.341 3.857 10 0 CHAERN Fc1cccc(-c2ccc(Br)nc2)c1 ZINC000041321822 174518627 /nfs/dbraw/zinc/51/86/27/174518627.db2.gz CLGIDODLUWGIJN-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN COc1ccc(C[C@H](O)c2ccccc2Cl)cc1 ZINC000041355336 174533061 /nfs/dbraw/zinc/53/30/61/174533061.db2.gz FXFICDFHZFQBJI-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN Cc1cc(C)c(OC[C@H](O)c2ccccc2)c(C)c1 ZINC000042277276 174673526 /nfs/dbraw/zinc/67/35/26/174673526.db2.gz QXLYQKQSNYWRJT-INIZCTEOSA-N 0 0 256.345 3.724 10 0 CHAERN Cc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000042403547 174710651 /nfs/dbraw/zinc/71/06/51/174710651.db2.gz KPXFZRMWFOHPNT-UHFFFAOYSA-N 0 0 258.752 3.984 10 0 CHAERN CC(C)CN(c1ccc([C@H](C)O)cc1F)C1CC1 ZINC000042558099 174794403 /nfs/dbraw/zinc/79/44/03/174794403.db2.gz BFSCCMRIPBTBNH-NSHDSACASA-N 0 0 251.345 3.504 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1ccccc1C(N)=S ZINC000042582451 174806486 /nfs/dbraw/zinc/80/64/86/174806486.db2.gz WJTFWLIYIBKVHE-WCQYABFASA-N 0 0 262.422 3.702 10 0 CHAERN Oc1ccc(CNc2cc(F)ccc2F)cc1Cl ZINC000043476723 175054823 /nfs/dbraw/zinc/05/48/23/175054823.db2.gz KLEHUXAXJLIJBC-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN O[C@@H]1c2ccccc2C[C@@H]1CCCc1ccccc1 ZINC000043659379 175085818 /nfs/dbraw/zinc/08/58/18/175085818.db2.gz DNGBDWCAKAQUEU-WMZOPIPTSA-N 0 0 252.357 3.915 10 0 CHAERN Oc1ccccc1OCc1sccc1Br ZINC000043676075 175088383 /nfs/dbraw/zinc/08/83/83/175088383.db2.gz VFJOJDUJGCGZLC-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN CCCC(=O)CCc1sccc1Br ZINC000043676090 175088470 /nfs/dbraw/zinc/08/84/70/175088470.db2.gz FINXXUNEZONKSE-UHFFFAOYSA-N 0 0 261.184 3.812 10 0 CHAERN Brc1ccc(COC[C@H]2CCCCO2)s1 ZINC000043679498 175090086 /nfs/dbraw/zinc/09/00/86/175090086.db2.gz NSCNRJIUDNPKQX-SECBINFHSA-N 0 0 291.210 3.596 10 0 CHAERN Cn1cc(SCc2sccc2Br)cn1 ZINC000043682203 175091212 /nfs/dbraw/zinc/09/12/12/175091212.db2.gz ODKLGUVOEMDZNT-UHFFFAOYSA-N 0 0 289.223 3.536 10 0 CHAERN Cc1cc(OCc2cc(Br)cs2)ccc1N ZINC000043686600 175094626 /nfs/dbraw/zinc/09/46/26/175094626.db2.gz MCVOEFHMLSDJNG-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Fc1cc(F)cc(-c2cccc(Br)n2)c1 ZINC000044120308 175142963 /nfs/dbraw/zinc/14/29/63/175142963.db2.gz RYMDIBHUJAMMNG-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN O=C1C[C@H](c2ccc(F)cc2)Oc2cc(F)ccc21 ZINC000045370067 175363499 /nfs/dbraw/zinc/36/34/99/175363499.db2.gz YKJLGNVYFBPKJK-CQSZACIVSA-N 0 0 260.239 3.671 10 0 in-vivo CHAERN Cc1cccc(-c2ncccc2CNC(=O)C2CCCC2)c1 ZINC000065171217 175702934 /nfs/dbraw/zinc/70/29/34/175702934.db2.gz XBEOHXPZPAHZJG-UHFFFAOYSA-N 0 0 294.398 3.863 10 0 CHAERN Oc1cc(Br)cc(-c2cc(F)ccc2O)c1 ZINC000065343799 175713151 /nfs/dbraw/zinc/71/31/51/175713151.db2.gz GOJTYVDGAGFVAP-UHFFFAOYSA-N 0 0 283.096 3.666 10 0 CHAERN O=c1cc[nH]c(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065356134 175721731 /nfs/dbraw/zinc/72/17/31/175721731.db2.gz JOIOWJZHLGAAAN-UHFFFAOYSA-N 0 0 277.323 3.621 10 0 CHAERN Cc1cccc(/C=C/C(=O)N(C)Cc2ccccc2)c1 ZINC000070715191 176003327 /nfs/dbraw/zinc/00/33/27/176003327.db2.gz QHZMVDKWWZRVLX-VAWYXSNFSA-N 0 0 265.356 3.667 10 0 CHAERN Cc1noc(C)c1-c1nc(C)c(C(C)C)c(Cl)n1 ZINC000071138445 176036994 /nfs/dbraw/zinc/03/69/94/176036994.db2.gz VGLMZVZUWBABLS-UHFFFAOYSA-N 0 0 265.744 3.834 10 0 CHAERN N=C1c2cc(F)ccc2CN1c1ccccc1Cl ZINC000071268640 176102159 /nfs/dbraw/zinc/10/21/59/176102159.db2.gz CDNIUQJTXWNSOS-UHFFFAOYSA-N 0 0 260.699 3.825 10 0 CHAERN C[C@@H](Cc1cccs1)Nc1c(N)ccc(F)c1F ZINC000071270214 176103842 /nfs/dbraw/zinc/10/38/42/176103842.db2.gz HJSMYWAAZNWKHJ-QMMMGPOBSA-N 0 0 268.332 3.652 10 0 CHAERN Cc1ccc(OCc2ccc(F)cc2F)c(C=O)c1 ZINC000071408721 176156942 /nfs/dbraw/zinc/15/69/42/176156942.db2.gz XWNZHCDKCWIRDJ-UHFFFAOYSA-N 0 0 262.255 3.665 10 0 CHAERN COc1ccccc1-c1nc2ccc(N)cc2s1 ZINC000071577630 176206288 /nfs/dbraw/zinc/20/62/88/176206288.db2.gz IUTRJPKJKYXKIJ-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN COc1ccc(N(C)c2ccc3c(ccn3C)c2)cc1 ZINC000071711856 176249136 /nfs/dbraw/zinc/24/91/36/176249136.db2.gz SKFDNJCYDYHDCH-UHFFFAOYSA-N 0 0 266.344 3.955 10 0 CHAERN FC(F)(F)c1ccc(-c2nc(Cl)nc(Cl)n2)cc1 ZINC000072191954 176336094 /nfs/dbraw/zinc/33/60/94/176336094.db2.gz IFJKVUODHCTCCT-UHFFFAOYSA-N 0 0 294.063 3.864 10 0 CHAERN Fc1ccc(-c2ccc(Br)cn2)cc1F ZINC000072191855 176336134 /nfs/dbraw/zinc/33/61/34/176336134.db2.gz VQDGEXONUHUKGY-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN N[C@H](c1ccc2c3c(cccc31)CC2)C(F)(F)F ZINC000072190832 176336360 /nfs/dbraw/zinc/33/63/60/176336360.db2.gz ADNMKLPFFALVAL-CYBMUJFWSA-N 0 0 251.251 3.501 10 0 CHAERN COc1ccc(-c2ccoc2Br)cc1 ZINC000072191931 176336457 /nfs/dbraw/zinc/33/64/57/176336457.db2.gz XIKGRQWJSVSTFF-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN Clc1cccc(-c2cccc(Br)n2)n1 ZINC000072204069 176341931 /nfs/dbraw/zinc/34/19/31/176341931.db2.gz WUQHECJENPGAPG-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN c1ccc(Nc2nc(N3CCCC3)nc3ccccc32)cc1 ZINC000072260376 176351903 /nfs/dbraw/zinc/35/19/03/176351903.db2.gz RFIYUYWUHSMDLU-UHFFFAOYSA-N 0 0 290.370 3.974 10 0 CHAERN C[C@H]1CNc2cc(F)c(F)cc2CN1C(=O)OC(C)(C)C ZINC000072266551 176352204 /nfs/dbraw/zinc/35/22/04/176352204.db2.gz QGYZYIMGYFCCOK-VIFPVBQESA-N 0 0 298.333 3.516 10 0 CHAERN Cc1ccc(C(=O)c2cc(Cl)ccc2N)cc1C ZINC000075835334 176802076 /nfs/dbraw/zinc/80/20/76/176802076.db2.gz NAZQJTFZDSFWSO-UHFFFAOYSA-N 0 0 259.736 3.770 10 0 CHAERN Cc1ccc(-c2noc(N)c2-c2ccccn2)cc1C ZINC000076371551 177007854 /nfs/dbraw/zinc/00/78/54/177007854.db2.gz OVWYZAZBUHEFHI-UHFFFAOYSA-N 0 0 265.316 3.603 10 0 CHAERN Cc1cc(Br)c2cc(C)c(C)cc2n1 ZINC000077255289 177244706 /nfs/dbraw/zinc/24/47/06/177244706.db2.gz MOVFYAPVSPBOOW-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN FC1(F)CCC(c2nc([C@@H]3CC34CC4)no2)CC1 ZINC000334969614 225378660 /nfs/dbraw/zinc/37/86/60/225378660.db2.gz MEDCJPDHNYARPN-VIFPVBQESA-N 0 0 254.280 3.630 10 0 CHAERN O=C(NCCC1CCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171738705 335076589 /nfs/dbraw/zinc/07/65/89/335076589.db2.gz HTYONANMAJGVRC-ZIAGYGMSSA-N 0 0 293.357 3.765 10 0 CHAERN C[C@H]1CC(c2noc(C[C@H]3CCCC(=O)N3)n2)C[C@H](C)C1 ZINC000329561530 227603333 /nfs/dbraw/zinc/60/33/33/227603333.db2.gz GETWGAPVCMRDTL-NQBHXWOUSA-N 0 0 291.395 3.661 10 0 CHAERN Oc1cccc2c1CCC[C@H]2c1nc(CC2CCC2)no1 ZINC000329578344 227615774 /nfs/dbraw/zinc/61/57/74/227615774.db2.gz KMSSKTLGLNGSKO-CQSZACIVSA-N 0 0 284.359 3.586 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccoc1Cl ZINC000192349969 227776298 /nfs/dbraw/zinc/77/62/98/227776298.db2.gz QPPNBKVZOUZYCS-ZDUSSCGKSA-N 0 0 293.725 3.880 10 0 CHAERN Cc1cnc(C2CCN(C(=O)[C@@H]3CCC[C@H]3C)CC2)s1 ZINC000336055775 228182936 /nfs/dbraw/zinc/18/29/36/228182936.db2.gz YPCKUAIIFIBASU-BXUZGUMPSA-N 0 0 292.448 3.594 10 0 CHAERN C[C@H]1C[C@H](c2noc(C3CCC(=O)CC3)n2)C[C@@H](C)C1 ZINC000336092948 228186733 /nfs/dbraw/zinc/18/67/33/228186733.db2.gz VKZSCAOWEBZOGN-PJXYFTJBSA-N 0 0 276.380 3.836 10 0 CHAERN Cc1nc(C)c(-c2nc(C(C)(C)C3CCC3)no2)s1 ZINC000333052967 228189048 /nfs/dbraw/zinc/18/90/48/228189048.db2.gz CJMBXMUWYALPSQ-UHFFFAOYSA-N 0 0 277.393 3.888 10 0 CHAERN C[C@H]1C[C@@H](c2nc(C(C)(C)C3CCC3)no2)CCC1=O ZINC000333060402 228189083 /nfs/dbraw/zinc/18/90/83/228189083.db2.gz DQMTVKYPLURLSW-QWRGUYRKSA-N 0 0 276.380 3.620 10 0 CHAERN C[C@@H]1C[C@@H](c2nc(C(C)(C)C3CCC3)no2)CCC1=O ZINC000333060401 228189155 /nfs/dbraw/zinc/18/91/55/228189155.db2.gz DQMTVKYPLURLSW-MNOVXSKESA-N 0 0 276.380 3.620 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nnc(C)n1C(C)C ZINC000333710157 228211156 /nfs/dbraw/zinc/21/11/56/228211156.db2.gz PSABYTDFEPXFJM-UHFFFAOYSA-N 0 0 294.424 3.880 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nc(C)c(C)c(=O)[nH]1 ZINC000333711614 228211157 /nfs/dbraw/zinc/21/11/57/228211157.db2.gz PYSTWDVANQPNGC-UHFFFAOYSA-N 0 0 293.392 3.511 10 0 CHAERN COc1ccc([C@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000312607917 260179977 /nfs/dbraw/zinc/17/99/77/260179977.db2.gz PUEACJYKMCYEIE-LBPRGKRZSA-N 0 0 273.380 3.725 10 0 CHAERN CSCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000041635576 260184504 /nfs/dbraw/zinc/18/45/04/260184504.db2.gz ASSMLZAIOQQUMD-HNNXBMFYSA-N 0 0 261.390 3.712 10 0 CHAERN Cc1nccc(C[NH2+][C@@H]2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000086957339 260210927 /nfs/dbraw/zinc/21/09/27/260210927.db2.gz IKOGRBYWQCMSJJ-LSDHHAIUSA-N 0 0 275.440 3.870 10 0 CHAERN COc1ccc([C@H](C)Nc2nc(C)c(C)s2)cc1OC ZINC000087302590 260212986 /nfs/dbraw/zinc/21/29/86/260212986.db2.gz QWXNVNJZRGJAJH-JTQLQIEISA-N 0 0 292.404 3.950 10 0 CHAERN Cc1nc([C@@H](C)NC(=O)NC2(C)CCC(C)CC2)cs1 ZINC000408101165 260230404 /nfs/dbraw/zinc/23/04/04/260230404.db2.gz HTHGOTHGOHTCOG-LOIXOFCESA-N 0 0 295.452 3.781 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc3cc[nH]c32)o1 ZINC000088732980 260234626 /nfs/dbraw/zinc/23/46/26/260234626.db2.gz AFAKPELHLKWNGQ-LLVKDONJSA-N 0 0 268.316 3.560 10 0 CHAERN Cc1nn(C)c(C)c1CNc1nc2ccc(C)cc2s1 ZINC000092341101 260269536 /nfs/dbraw/zinc/26/95/36/260269536.db2.gz PCBINXHBTFDFEJ-UHFFFAOYSA-N 0 0 286.404 3.567 10 0 CHAERN FC(F)(F)c1ccc2sc(NCc3ccon3)nc2c1 ZINC000093297739 260274333 /nfs/dbraw/zinc/27/43/33/260274333.db2.gz ZOCONYUYHQQFGH-UHFFFAOYSA-N 0 0 299.277 3.915 10 0 CHAERN Nc1cccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000040712479 260380254 /nfs/dbraw/zinc/38/02/54/260380254.db2.gz PDJNDNDFLMQBBK-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCS[C@@H](C)C1 ZINC000152256255 261062127 /nfs/dbraw/zinc/06/21/27/261062127.db2.gz YBICLFNYLHWGCD-STQMWFEESA-N 0 0 288.416 3.840 10 0 CHAERN CCOCCC1(C(=O)Nc2ccccc2OC)CCCC1 ZINC000153059927 261072835 /nfs/dbraw/zinc/07/28/35/261072835.db2.gz NEMHQFWFLOWETO-UHFFFAOYSA-N 0 0 291.391 3.621 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000172090006 261073725 /nfs/dbraw/zinc/07/37/25/261073725.db2.gz XFALSRNKOSLWOE-GDLCADMTSA-N 0 0 293.357 3.763 10 0 CHAERN CCCCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154075799 261087166 /nfs/dbraw/zinc/08/71/66/261087166.db2.gz BLHZRUQVNBTZBI-LSDHHAIUSA-N 0 0 293.407 3.665 10 0 CHAERN COc1cc([C@H](C)Nc2cccc(F)n2)ccc1F ZINC000161567337 261095025 /nfs/dbraw/zinc/09/50/25/261095025.db2.gz HGKSVFSFYARRAJ-VIFPVBQESA-N 0 0 264.275 3.542 10 0 CHAERN CC(C)COc1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 ZINC000155406679 261101452 /nfs/dbraw/zinc/10/14/52/261101452.db2.gz WPYABNNYFJIXIF-AWEZNQCLSA-N 0 0 292.423 3.832 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccccc2F)o1 ZINC000156108501 261113853 /nfs/dbraw/zinc/11/38/53/261113853.db2.gz IXFVYKFVHWRTEZ-YPMHNXCESA-N 0 0 289.350 3.783 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)o1 ZINC000156538936 261125310 /nfs/dbraw/zinc/12/53/10/261125310.db2.gz FZDSZHCXJMGKEB-MRXNPFEDSA-N 0 0 298.386 3.735 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cnc(C(C)C)s2)o1 ZINC000158942822 261175083 /nfs/dbraw/zinc/17/50/83/261175083.db2.gz HPQROCSAZFOVCZ-SNVBAGLBSA-N 0 0 278.377 3.659 10 0 CHAERN CCC1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000175677098 261240505 /nfs/dbraw/zinc/24/05/05/261240505.db2.gz DBMFXRHAFUOWIK-STQMWFEESA-N 0 0 293.357 3.765 10 0 CHAERN Cc1ccc(CN(C)C(=O)c2ccc(C)c(Cl)c2)o1 ZINC000103063465 261275038 /nfs/dbraw/zinc/27/50/38/261275038.db2.gz LBQMPAIWYGHMAP-UHFFFAOYSA-N 0 0 277.751 3.822 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000103387173 261281279 /nfs/dbraw/zinc/28/12/79/261281279.db2.gz ZBQWSWSHAJEDKF-JTQLQIEISA-N 0 0 292.404 3.641 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000176524971 261292816 /nfs/dbraw/zinc/29/28/16/261292816.db2.gz QOLCUVFBOFEVAC-HUUCEWRRSA-N 0 0 289.419 3.804 10 0 CHAERN Cc1ccc(/C=C/CC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000176591257 261298270 /nfs/dbraw/zinc/29/82/70/261298270.db2.gz SFRBVIMIDIVTFV-LAQIPUCWSA-N 0 0 293.366 3.648 10 0 CHAERN CC1(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000176635223 261300685 /nfs/dbraw/zinc/30/06/85/261300685.db2.gz QGEOFLLJQFUJTK-MNOVXSKESA-N 0 0 292.345 3.597 10 0 CHAERN COc1ccc([C@@H](C)Nc2nc3ccccc3[nH]2)cc1OC ZINC000301086817 261329925 /nfs/dbraw/zinc/32/99/25/261329925.db2.gz MDHAEKHNHHOUCJ-LLVKDONJSA-N 0 0 297.358 3.753 10 0 CHAERN Cc1cc(Br)cnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301640420 261338790 /nfs/dbraw/zinc/33/87/90/261338790.db2.gz NBAILHQUMSNGHC-TXEJJXNPSA-N 0 0 293.208 3.555 10 0 CHAERN CCn1ccnc1C[S@@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177294672 261345199 /nfs/dbraw/zinc/34/51/99/261345199.db2.gz FFFXTXLCFAWVTI-NSPYISDASA-N 0 0 296.823 3.566 10 0 CHAERN Cc1cncc(N[C@@H](C)c2ccc(Cl)s2)n1 ZINC000302214008 261349540 /nfs/dbraw/zinc/34/95/40/261349540.db2.gz IDDYFOVOZUIWGE-QMMMGPOBSA-N 0 0 253.758 3.673 10 0 CHAERN CC[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624327 261356036 /nfs/dbraw/zinc/35/60/36/261356036.db2.gz HKUPWYPCJMLEBS-ZIAGYGMSSA-N 0 0 290.798 3.507 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C(C)(C)CC(C)C)o1 ZINC000177596262 261364394 /nfs/dbraw/zinc/36/43/94/261364394.db2.gz KGDHKDROUSKRIJ-LBPRGKRZSA-N 0 0 251.370 3.838 10 0 CHAERN CCC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000177827691 261370384 /nfs/dbraw/zinc/37/03/84/261370384.db2.gz AOZCICARUMAQKK-MNOVXSKESA-N 0 0 277.330 3.804 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CCCCO2)cc1 ZINC000178393298 261389220 /nfs/dbraw/zinc/38/92/20/261389220.db2.gz UVZVTQPPZJHGFX-CZUORRHYSA-N 0 0 275.392 3.556 10 0 CHAERN C[C@@H](CC(=O)Nc1ccc2c(c1)CCN2)C(C)(C)C ZINC000108943493 261389570 /nfs/dbraw/zinc/38/95/70/261389570.db2.gz WGUFOLWKUGFWNM-NSHDSACASA-N 0 0 260.381 3.665 10 0 CHAERN CC[C@@H](CC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171567146 261470996 /nfs/dbraw/zinc/47/09/96/261470996.db2.gz NORACMJMYZNQIN-KBPBESRZSA-N 0 0 277.433 3.534 10 0 CHAERN CC(C)CN(C(=O)N[C@H]1CCOc2ccccc21)C(C)C ZINC000172648516 261506456 /nfs/dbraw/zinc/50/64/56/261506456.db2.gz TZIWGZKEHLTOOG-HNNXBMFYSA-N 0 0 290.407 3.586 10 0 CHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)C(C)C)s1 ZINC000174745113 261582230 /nfs/dbraw/zinc/58/22/30/261582230.db2.gz VVGYRHOPFPMTIL-CMPLNLGQSA-N 0 0 297.468 3.761 10 0 CHAERN Cc1cnc(COC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)o1 ZINC000175461906 261609584 /nfs/dbraw/zinc/60/95/84/261609584.db2.gz IDUBAKFJVPUNJL-JKSUJKDBSA-N 0 0 299.370 3.953 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182849648 261953567 /nfs/dbraw/zinc/95/35/67/261953567.db2.gz HUYAUSLAXSCENR-SSDOTTSWSA-N 0 0 276.714 3.784 10 0 CHAERN CC(C)c1noc(CN[C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000183201646 261967230 /nfs/dbraw/zinc/96/72/30/261967230.db2.gz RGDZYFQKTMPPKE-MRXNPFEDSA-N 0 0 299.418 3.996 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)CCc2ccncc2)CC(C)(C)C1 ZINC000183500024 261978079 /nfs/dbraw/zinc/97/80/79/261978079.db2.gz OQWCZUMEFNGWOZ-GDBMZVCRSA-N 0 0 288.435 3.545 10 0 CHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCCC2(CC2)C1 ZINC000184135668 262009620 /nfs/dbraw/zinc/00/96/20/262009620.db2.gz UIJJRLFLWVSPFH-SJORKVTESA-N 0 0 299.414 3.557 10 0 CHAERN CC(C)n1ccnc1CN1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184794290 262029758 /nfs/dbraw/zinc/02/97/58/262029758.db2.gz KTLZBQMWWOHCAL-ZDUSSCGKSA-N 0 0 295.386 3.544 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C(C)C)o1 ZINC000185507947 262057925 /nfs/dbraw/zinc/05/79/25/262057925.db2.gz IKSZJODXWWYZLX-ILXRZTDVSA-N 0 0 275.392 3.934 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(F)c(C)c2)C12CCOCC2 ZINC000186469228 262094497 /nfs/dbraw/zinc/09/44/97/262094497.db2.gz PXGXBENKAUVPSZ-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN O=C(c1cc(O)ccc1Cl)N1CCCC12CCCC2 ZINC000311745430 262340697 /nfs/dbraw/zinc/34/06/97/262340697.db2.gz BWKHJFFUAWKLOE-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN CCCC[C@@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270155 262342558 /nfs/dbraw/zinc/34/25/58/262342558.db2.gz QFCNPLGUIQEJBO-DLUQRMLASA-N 0 0 289.423 3.727 10 0 CHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000055274567 262344673 /nfs/dbraw/zinc/34/46/73/262344673.db2.gz OQTRPOVHSBAOLV-VXGBXAGGSA-N 0 0 271.282 3.538 10 0 CHAERN CC(C)n1c(N)nnc1SCC1CCCCCC1 ZINC000124841195 262566694 /nfs/dbraw/zinc/56/66/94/262566694.db2.gz BODNKJZPIJWMCQ-UHFFFAOYSA-N 0 0 268.430 3.504 10 0 CHAERN CN(Cc1cscn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291250458 263121126 /nfs/dbraw/zinc/12/11/26/263121126.db2.gz LYRZEAGXNUYMHL-MNOVXSKESA-N 0 0 278.343 3.696 10 0 CHAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1Br ZINC000093197715 263228619 /nfs/dbraw/zinc/22/86/19/263228619.db2.gz IQSLGHLUGZMIFR-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN CC(C)[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000171938833 335085722 /nfs/dbraw/zinc/08/57/22/335085722.db2.gz URZHKMIIECTDED-ZBFHGGJFSA-N 0 0 289.419 3.657 10 0 CHAERN FC(F)(F)CCCCNc1ccc(Br)cn1 ZINC000125844337 264070911 /nfs/dbraw/zinc/07/09/11/264070911.db2.gz PAMODVFPNHTYMN-UHFFFAOYSA-N 0 0 297.118 3.989 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000126813266 264226608 /nfs/dbraw/zinc/22/66/08/264226608.db2.gz UYFPNRKJVHYAHT-HZPDHXFCSA-N 0 0 298.430 3.764 10 0 CHAERN CCCCc1ccc(NCc2cnn(C)c2C)cc1 ZINC000093649326 265186473 /nfs/dbraw/zinc/18/64/73/265186473.db2.gz BIHBWSQEBRUMHV-UHFFFAOYSA-N 0 0 257.381 3.683 10 0 CHAERN C[C@@H](O)[C@H](C)Oc1ccc2cc(Br)ccc2c1 ZINC000094654893 265248859 /nfs/dbraw/zinc/24/88/59/265248859.db2.gz YUKIWERCJVRVOB-ZJUUUORDSA-N 0 0 295.176 3.750 10 0 CHAERN CCC1(CNc2nn3cc(C(C)(C)C)nc3s2)CC1 ZINC000301520295 265981963 /nfs/dbraw/zinc/98/19/63/265981963.db2.gz DAADPGQRQAROFR-UHFFFAOYSA-N 0 0 278.425 3.690 10 0 CHAERN Clc1ncc(CN2C[C@H]3CCCCC[C@H]32)s1 ZINC000363037929 267073999 /nfs/dbraw/zinc/07/39/99/267073999.db2.gz PYRYKPMMJISWBY-MWLCHTKSSA-N 0 0 256.802 3.561 10 0 CHAERN O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccco1 ZINC000116049328 267121143 /nfs/dbraw/zinc/12/11/43/267121143.db2.gz RFKTYYFYDWSRRX-INIZCTEOSA-N 0 0 292.338 3.805 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccco1 ZINC000116048026 267121232 /nfs/dbraw/zinc/12/12/32/267121232.db2.gz ADSWWEFNDUREBY-HNNXBMFYSA-N 0 0 280.327 3.738 10 0 CHAERN O=C(c1cccc(F)c1F)N1CCC[C@H]1c1ccco1 ZINC000116044271 267121344 /nfs/dbraw/zinc/12/13/44/267121344.db2.gz RBUNYWGNVWYLKE-LBPRGKRZSA-N 0 0 277.270 3.535 10 0 CHAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@H]1c1ccco1 ZINC000116210895 267133688 /nfs/dbraw/zinc/13/36/88/267133688.db2.gz SOOSVNTVPXZHLW-JTQLQIEISA-N 0 0 299.157 3.892 10 0 CHAERN O=C(Nc1ccccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116405981 267152114 /nfs/dbraw/zinc/15/21/14/267152114.db2.gz FFBXIWYRNZRGDI-CYBMUJFWSA-N 0 0 274.295 3.788 10 0 CHAERN O=C([C@@H]1CSc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000118229738 267245158 /nfs/dbraw/zinc/24/51/58/267245158.db2.gz NHRLKLWNASJFHN-ZIAGYGMSSA-N 0 0 299.395 3.833 10 0 CHAERN CCN(C(=O)N1CCCC[C@@H]1c1ccc(C)o1)C(C)C ZINC000119000508 267292066 /nfs/dbraw/zinc/29/20/66/267292066.db2.gz JBRBDOOHYHHSPW-CQSZACIVSA-N 0 0 278.396 3.965 10 0 CHAERN CCN(C(=O)N1CCCC[C@H]1c1nccs1)C(C)C ZINC000119056290 267294354 /nfs/dbraw/zinc/29/43/54/267294354.db2.gz HERQYPOSRJXGOB-LBPRGKRZSA-N 0 0 281.425 3.520 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2cc(F)c(F)c(F)c2)o1 ZINC000119330628 267322662 /nfs/dbraw/zinc/32/26/62/267322662.db2.gz USESIUVYJIWJNW-QMMMGPOBSA-N 0 0 298.264 3.888 10 0 CHAERN Cc1ccc(F)c(C(=O)N2C[C@H]3CCCCC[C@H]32)c1 ZINC000371177710 267360598 /nfs/dbraw/zinc/36/05/98/267360598.db2.gz UKQQVKCGUOYLPE-IUODEOHRSA-N 0 0 261.340 3.539 10 0 CHAERN Cc1cc(Br)ccc1NC(=O)C1CC(C)C1 ZINC000531239251 327895522 /nfs/dbraw/zinc/89/55/22/327895522.db2.gz PAVYGJIRQAQDEU-UHFFFAOYSA-N 0 0 282.181 3.742 10 0 CHAERN C[C@@H](NC(=O)Nc1cccnn1)c1ccc(C(C)(C)C)cc1 ZINC000152083167 328060664 /nfs/dbraw/zinc/06/06/64/328060664.db2.gz SXIREDFAXGSPGQ-GFCCVEGCSA-N 0 0 298.390 3.657 10 0 CHAERN Cc1cccc(CNC(=O)N(C)CCC2CCCCC2)n1 ZINC000101607990 328361131 /nfs/dbraw/zinc/36/11/31/328361131.db2.gz GKIRRUAHHOCISK-UHFFFAOYSA-N 0 0 289.423 3.502 10 0 CHAERN CCc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1C ZINC000388826909 328512521 /nfs/dbraw/zinc/51/25/21/328512521.db2.gz URBPVWSSQPQATC-XHSDSOJGSA-N 0 0 259.393 3.783 10 0 CHAERN CCC1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000070262588 328552583 /nfs/dbraw/zinc/55/25/83/328552583.db2.gz ALKYQBFDYLPJPD-UHFFFAOYSA-N 0 0 273.302 3.876 10 0 CHAERN Cc1nnc(NC(=O)/C=C\c2ccc(C(C)C)cc2)s1 ZINC000033743379 326900850 /nfs/dbraw/zinc/90/08/50/326900850.db2.gz DFIJETKQNGALGT-TWGQIWQCSA-N 0 0 287.388 3.622 10 0 CHAERN CC1(C)[C@H](Nc2cccc(-c3cnco3)c2)[C@@H]2CCO[C@@H]21 ZINC000085635841 326974499 /nfs/dbraw/zinc/97/44/99/326974499.db2.gz OBKNBLDONROHEP-IMJJTQAJSA-N 0 0 284.359 3.567 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)/C=C\c2cccnc2)o1 ZINC000255556595 326993464 /nfs/dbraw/zinc/99/34/64/326993464.db2.gz WPKBNMJCXQPAMD-YHWKNFMLSA-N 0 0 296.370 3.750 10 0 CHAERN C[C@H]1CC(c2noc(-c3cncc(F)c3)n2)C[C@H](C)C1 ZINC000408222874 327297917 /nfs/dbraw/zinc/29/79/17/327297917.db2.gz CACJACMHISOUHA-NXEZZACHSA-N 0 0 275.327 3.810 10 0 CHAERN CCCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(C)c1 ZINC000150746776 327370223 /nfs/dbraw/zinc/37/02/23/327370223.db2.gz PQSJKQMLRMYFMM-CJNGLKHVSA-N 0 0 291.391 3.680 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1CCCC12CCCC2 ZINC000365132049 327409197 /nfs/dbraw/zinc/40/91/97/327409197.db2.gz KIFSDFFHBPPWPG-UHFFFAOYSA-N 0 0 283.293 3.653 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151478121 327472347 /nfs/dbraw/zinc/47/23/47/327472347.db2.gz DWPYLMJIRPKQHC-SRVKXCTJSA-N 0 0 294.361 3.841 10 0 CHAERN COc1cc(C)sc1C(=O)N[C@@H](C)c1ccccc1C ZINC000113788078 328636034 /nfs/dbraw/zinc/63/60/34/328636034.db2.gz DNUNAJGRXXOPPY-LBPRGKRZSA-N 0 0 289.400 3.865 10 0 CHAERN C[C@@H]1CC[C@H](C)N(c2nn3cc(C(C)(C)C)nc3s2)C1 ZINC000301421105 328827927 /nfs/dbraw/zinc/82/79/27/328827927.db2.gz DWSGQQNSEWVFNM-MNOVXSKESA-N 0 0 292.452 3.713 10 0 CHAERN Clc1ncccc1CN1CCC(c2nccs2)CC1 ZINC000377521320 329017536 /nfs/dbraw/zinc/01/75/36/329017536.db2.gz ZOOITBXWECJCTJ-UHFFFAOYSA-N 0 0 293.823 3.571 10 0 CHAERN Cc1nc([C@H](C)Nc2cnc3ccccc3n2)cs1 ZINC000170543351 329067413 /nfs/dbraw/zinc/06/74/13/329067413.db2.gz SNWZFIIRDXBTIA-VIFPVBQESA-N 0 0 270.361 3.568 10 0 CHAERN O=C(CCC1CCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646244 329075133 /nfs/dbraw/zinc/07/51/33/329075133.db2.gz XFCWQZQZMMAPPB-CQSZACIVSA-N 0 0 292.448 3.820 10 0 CHAERN C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2ccccc2c1 ZINC000172088244 329080980 /nfs/dbraw/zinc/08/09/80/329080980.db2.gz MUNLZWRNXUGUDB-BTPDRXCOSA-N 0 0 295.382 3.585 10 0 CHAERN CC(C)(C)CNC(=O)N1CC=C(c2cccs2)CC1 ZINC000172225216 329084036 /nfs/dbraw/zinc/08/40/36/329084036.db2.gz INNOGMJAVHRDRF-UHFFFAOYSA-N 0 0 278.421 3.593 10 0 CHAERN CC1(C[NH2+][C@H]2CCC[C@@H](C(=O)[O-])C2)CCCCCC1 ZINC000394586953 329127501 /nfs/dbraw/zinc/12/75/01/329127501.db2.gz GPAPQXNAJILUSN-KGLIPLIRSA-N 0 0 267.413 3.580 10 0 CHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173059794 329139835 /nfs/dbraw/zinc/13/98/35/329139835.db2.gz DMPYPCBLYKSJFB-GOEBONIOSA-N 0 0 291.439 3.690 10 0 CHAERN CCCc1ncc(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000173047794 329142616 /nfs/dbraw/zinc/14/26/16/329142616.db2.gz NZIDAZMHWHBJKL-NSHDSACASA-N 0 0 290.388 3.666 10 0 CHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547609 329198144 /nfs/dbraw/zinc/19/81/44/329198144.db2.gz MSAWIQXIHDMXHC-NHYWBVRUSA-N 0 0 298.415 3.615 10 0 CHAERN COCCC[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178612464 329201377 /nfs/dbraw/zinc/20/13/77/329201377.db2.gz VCRICXUQRSJHMC-MAUKXSAKSA-N 0 0 284.403 3.576 10 0 CHAERN COCCCCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123490030 329205019 /nfs/dbraw/zinc/20/50/19/329205019.db2.gz WAJMZZUCCWRCPE-QGZVFWFLSA-N 0 0 289.419 3.633 10 0 CHAERN Cc1nscc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000182300121 329241615 /nfs/dbraw/zinc/24/16/15/329241615.db2.gz YPUSQSOIFULXRC-BMIGLBTASA-N 0 0 286.400 3.820 10 0 CHAERN CC(C)OCCCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000182335402 329241818 /nfs/dbraw/zinc/24/18/18/329241818.db2.gz FBYNBFVEPZBKGY-CVEARBPZSA-N 0 0 281.440 3.524 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccco2)CC(C)(C)C1 ZINC000182490148 329242443 /nfs/dbraw/zinc/24/24/43/329242443.db2.gz FXYHQTPKEMARJZ-QWHCGFSZSA-N 0 0 263.381 3.700 10 0 CHAERN Cc1ccc([C@@H](C)NCc2nc(-c3cccc(C)c3)no2)o1 ZINC000182572817 329242843 /nfs/dbraw/zinc/24/28/43/329242843.db2.gz HZDXNZBSTGSGEH-CYBMUJFWSA-N 0 0 297.358 3.797 10 0 CHAERN C[C@H]1CC(C(=O)N[C@@H]2CCOc3ccccc32)C[C@H](C)C1 ZINC000182607192 329243245 /nfs/dbraw/zinc/24/32/45/329243245.db2.gz WNZHVKIYUIMDNE-XJKCOSOUSA-N 0 0 287.403 3.699 10 0 CHAERN O=C(NCCC[C@@H]1CCCCO1)[C@H]1C[C@H]1C1CCCCC1 ZINC000183461933 329247896 /nfs/dbraw/zinc/24/78/96/329247896.db2.gz IDDTZXWOPUCKSR-ULQDDVLXSA-N 0 0 293.451 3.668 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2cncc(F)c2)n1 ZINC000183441264 329247946 /nfs/dbraw/zinc/24/79/46/329247946.db2.gz CGNTWQQKDNGQNI-CYBMUJFWSA-N 0 0 296.349 3.888 10 0 CHAERN O[C@H]1CCOc2c(NC3CCCCCC3)cccc21 ZINC000184069267 329255566 /nfs/dbraw/zinc/25/55/66/329255566.db2.gz RLBBSQCQYGJXMU-HNNXBMFYSA-N 0 0 261.365 3.637 10 0 CHAERN Cc1cnc([C@@H](C)Nc2nc3ccccc3s2)o1 ZINC000226547836 329261119 /nfs/dbraw/zinc/26/11/19/329261119.db2.gz BSBURMLXKRIGND-SECBINFHSA-N 0 0 259.334 3.766 10 0 CHAERN CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000300382830 329266708 /nfs/dbraw/zinc/26/67/08/329266708.db2.gz KMUMOIVRAMEJEZ-SKDRFNHKSA-N 0 0 286.188 3.866 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185432514 329273583 /nfs/dbraw/zinc/27/35/83/329273583.db2.gz SOAXMRQOAIDXDL-XZHRJIJLSA-N 0 0 261.365 3.936 10 0 CHAERN Cc1cnc(NCc2c[nH]nc2-c2ccc(C)cc2)s1 ZINC000185853203 329333543 /nfs/dbraw/zinc/33/35/43/329333543.db2.gz LPMIBBXKLLJIJK-UHFFFAOYSA-N 0 0 284.388 3.762 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cccc(F)c2C)C12CCOCC2 ZINC000186478703 329342934 /nfs/dbraw/zinc/34/29/34/329342934.db2.gz PWZXKVMJZXJBNW-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cc(C)cc(F)c2)C12CCOCC2 ZINC000186478315 329343022 /nfs/dbraw/zinc/34/30/22/329343022.db2.gz PUNMLIHDTZHRSW-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cccc(F)c2C)C12CCOCC2 ZINC000186478677 329343066 /nfs/dbraw/zinc/34/30/66/329343066.db2.gz PWZXKVMJZXJBNW-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN CC(C)C[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548418 329345199 /nfs/dbraw/zinc/34/51/99/329345199.db2.gz YERUVHIAMGVGIK-NSHDSACASA-N 0 0 261.369 3.510 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)C(C)C)cs1 ZINC000187101820 329353245 /nfs/dbraw/zinc/35/32/45/329353245.db2.gz BAZQOUDDVYOQNG-FZMZJTMJSA-N 0 0 295.452 3.590 10 0 CHAERN Cc1ccccc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189939492 329390383 /nfs/dbraw/zinc/39/03/83/329390383.db2.gz MSQCLRQBJLOVQR-INIZCTEOSA-N 0 0 281.355 3.557 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/C(C)(C)C ZINC000189949821 329390559 /nfs/dbraw/zinc/39/05/59/329390559.db2.gz XVFKFUFBWJQHNJ-PLWJUESGSA-N 0 0 273.376 3.537 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CC1CCCC1 ZINC000190618586 329399962 /nfs/dbraw/zinc/39/99/62/329399962.db2.gz XOZPITURVWKBQO-HNNXBMFYSA-N 0 0 273.376 3.515 10 0 CHAERN CC[C@@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191197537 329410242 /nfs/dbraw/zinc/41/02/42/329410242.db2.gz GFQAGKLFUIZNMZ-NEPJUHHUSA-N 0 0 281.346 3.717 10 0 CHAERN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)COC ZINC000191543693 329417255 /nfs/dbraw/zinc/41/72/55/329417255.db2.gz LJBQTOJDBAEMDU-ZDUSSCGKSA-N 0 0 277.408 3.984 10 0 CHAERN O=C(c1ccoc1Cl)N1CCC[C@H]1c1ccco1 ZINC000192313530 329431270 /nfs/dbraw/zinc/43/12/70/329431270.db2.gz QBUJEITVBOGNKU-JTQLQIEISA-N 0 0 265.696 3.503 10 0 CHAERN O=C(c1ccnc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116044967 329544346 /nfs/dbraw/zinc/54/43/46/329544346.db2.gz LWMDZQJWCPNLDY-MRXNPFEDSA-N 0 0 292.338 3.805 10 0 CHAERN CCCCO[C@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117720016 329546277 /nfs/dbraw/zinc/54/62/77/329546277.db2.gz DUFCPNUKQTUQFC-CYBMUJFWSA-N 0 0 293.432 3.569 10 0 CHAERN O=C(c1cccc(F)c1)N1CC=C(c2cccs2)CC1 ZINC000117721126 329546438 /nfs/dbraw/zinc/54/64/38/329546438.db2.gz KMYAXBWSRBNPAM-UHFFFAOYSA-N 0 0 287.359 3.817 10 0 CHAERN CNc1ccc(C(F)(F)F)cc1Br ZINC000123505335 329559724 /nfs/dbraw/zinc/55/97/24/329559724.db2.gz MILAKCJRZZQIRW-UHFFFAOYSA-N 0 0 254.049 3.510 10 0 CHAERN CC1(CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCCCC1 ZINC000127785522 329602144 /nfs/dbraw/zinc/60/21/44/329602144.db2.gz VWFFYASFZOFTRO-YJBOKZPZSA-N 0 0 293.451 3.501 10 0 CHAERN Cc1cccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c1C ZINC000130851736 329628992 /nfs/dbraw/zinc/62/89/92/329628992.db2.gz BCWOVARPKKVWBS-HUUCEWRRSA-N 0 0 298.434 3.643 10 0 CHAERN c1coc(-c2ccc(N[C@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)n1 ZINC000194165823 329685374 /nfs/dbraw/zinc/68/53/74/329685374.db2.gz GXVNYQQWNGFBBV-OWCLPIDISA-N 0 0 296.370 3.711 10 0 CHAERN c1csc([C@@H]2CCCCN2c2cnc3ccccc3n2)n1 ZINC000195313428 329692744 /nfs/dbraw/zinc/69/27/44/329692744.db2.gz LEEBIVXKDWGQBW-AWEZNQCLSA-N 0 0 296.399 3.818 10 0 CHAERN C[C@@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000245778202 329747555 /nfs/dbraw/zinc/74/75/55/329747555.db2.gz YKJVBUBMPDIUPE-MGPQQGTHSA-N 0 0 274.408 3.721 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H](C)O2)c1C ZINC000246025266 329769634 /nfs/dbraw/zinc/76/96/34/329769634.db2.gz MWGPTLVDOHBACC-COXVUDFISA-N 0 0 287.403 3.534 10 0 CHAERN O=C(c1ccccc1Cl)N1CCC[C@H]1c1nccs1 ZINC000074909271 329865727 /nfs/dbraw/zinc/86/57/27/329865727.db2.gz IFFPODDITAPTSJ-LBPRGKRZSA-N 0 0 292.791 3.774 10 0 CHAERN O=C(CCc1cccs1)N1CCC[C@H]1c1nccs1 ZINC000074909345 329865734 /nfs/dbraw/zinc/86/57/34/329865734.db2.gz VNSILMSWQJCAMJ-LBPRGKRZSA-N 0 0 292.429 3.501 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000248366578 329889868 /nfs/dbraw/zinc/88/98/68/329889868.db2.gz SHNYIPSQBRXOPN-CTASWTNQSA-N 0 0 273.376 3.688 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCC[C@H]2CCCCO2)CC(C)(C)C1 ZINC000248622184 329896090 /nfs/dbraw/zinc/89/60/90/329896090.db2.gz YFXVKONDPUGXSI-RBSFLKMASA-N 0 0 281.440 3.524 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000248648146 329896694 /nfs/dbraw/zinc/89/66/94/329896694.db2.gz QLAVFTZTQSUULN-IIAWOOMASA-N 0 0 293.407 3.751 10 0 CHAERN CCn1ncc2ccc(N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc21 ZINC000252734075 329946144 /nfs/dbraw/zinc/94/61/44/329946144.db2.gz SDSKCQRNDYBPPN-DJIMGWMZSA-N 0 0 299.418 3.672 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3occc3C)C2)cc1 ZINC000078187556 329947191 /nfs/dbraw/zinc/94/71/91/329947191.db2.gz VGNQPVDBFWIUCV-UKRRQHHQSA-N 0 0 299.370 3.615 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccoc3C)C2)cc1 ZINC000078187543 329947230 /nfs/dbraw/zinc/94/72/30/329947230.db2.gz PPLFNTYQCNOGCV-WFASDCNBSA-N 0 0 299.370 3.615 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000078671147 329967707 /nfs/dbraw/zinc/96/77/07/329967707.db2.gz CWYHAJGCDMFGIN-WDEREUQCSA-N 0 0 256.802 3.821 10 0 CHAERN Cc1ccccc1[C@H](NC(=O)C[C@H](O)C(C)C)C(C)(C)C ZINC000162093335 329972009 /nfs/dbraw/zinc/97/20/09/329972009.db2.gz SGCVKEUKZBECQW-RDJZCZTQSA-N 0 0 291.435 3.605 10 0 CHAERN C[C@H](NC(=O)CC1CCC1)c1ccc(F)c(Cl)c1 ZINC000079727077 330056726 /nfs/dbraw/zinc/05/67/26/330056726.db2.gz CSJIMFHLSGEOMO-VIFPVBQESA-N 0 0 269.747 3.847 10 0 CHAERN Cc1csc([C@H](C)N[C@H](C)c2csc(C)n2)n1 ZINC000080270280 330116246 /nfs/dbraw/zinc/11/62/46/330116246.db2.gz NQHQFCZNHAIVOB-BDAKNGLRSA-N 0 0 267.423 3.628 10 0 CHAERN Fc1cc(CN2C[C@@H]3CCC[C@@H]32)ccc1Br ZINC000533081558 330331545 /nfs/dbraw/zinc/33/15/45/330331545.db2.gz BHHNPQMXSBENTC-GWCFXTLKSA-N 0 0 284.172 3.573 10 0 CHAERN Fc1ccc(CN2C[C@H]3CCC[C@@H]32)cc1Br ZINC000533081726 330331742 /nfs/dbraw/zinc/33/17/42/330331742.db2.gz QORJVQIPEJJORF-MFKMUULPSA-N 0 0 284.172 3.573 10 0 CHAERN Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)on1 ZINC000045235373 330340950 /nfs/dbraw/zinc/34/09/50/330340950.db2.gz KAMNKICWEGUTDD-GFCCVEGCSA-N 0 0 286.375 3.772 10 0 CHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000107337885 330349060 /nfs/dbraw/zinc/34/90/60/330349060.db2.gz LAPYSKGTKDXWIM-KBPBESRZSA-N 0 0 292.448 3.511 10 0 CHAERN COc1csc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000119516223 330375209 /nfs/dbraw/zinc/37/52/09/330375209.db2.gz BREPESVFBLNLJB-JTQLQIEISA-N 0 0 293.363 3.695 10 0 CHAERN CCS(=O)(CC)=Nc1ccc(Br)cc1 ZINC000536950411 330382241 /nfs/dbraw/zinc/38/22/41/330382241.db2.gz HMFPGYSHVIIJTF-UHFFFAOYSA-N 0 0 276.199 3.588 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536952117 330382490 /nfs/dbraw/zinc/38/24/90/330382490.db2.gz BFVJIROVRMRTLQ-CZUORRHYSA-N 0 0 281.396 3.559 10 0 CHAERN CCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225251 330391594 /nfs/dbraw/zinc/39/15/94/330391594.db2.gz QNSYGDRTRUAAEE-HOTGVXAUSA-N 0 0 290.455 3.760 10 0 CHAERN CCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225249 330391638 /nfs/dbraw/zinc/39/16/38/330391638.db2.gz QNSYGDRTRUAAEE-HZPDHXFCSA-N 0 0 290.455 3.760 10 0 CHAERN CCCn1ccc(CNc2cc(F)ccc2F)c1 ZINC000091009121 330397823 /nfs/dbraw/zinc/39/78/23/330397823.db2.gz GGJBNUPVCUJRTN-UHFFFAOYSA-N 0 0 250.292 3.788 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N(C)CCC2CC2)cc1F ZINC000122403412 330421387 /nfs/dbraw/zinc/42/13/87/330421387.db2.gz HOFGNSVDKKGRPK-LBPRGKRZSA-N 0 0 278.371 3.637 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc2c1CCCN2 ZINC000061412217 330437891 /nfs/dbraw/zinc/43/78/91/330437891.db2.gz BMWYYZFHQGLNTA-CJNGLKHVSA-N 0 0 286.419 3.743 10 0 CHAERN CC[C@](C)(CCO)Nc1nc(C)nc2sc(C)c(C)c21 ZINC000312373613 330462802 /nfs/dbraw/zinc/46/28/02/330462802.db2.gz AXZMSDPRUUNGDU-OAHLLOKOSA-N 0 0 293.436 3.580 10 0 CHAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCSC(C)(C)C1 ZINC000083691284 330482195 /nfs/dbraw/zinc/48/21/95/330482195.db2.gz USMMRBWHQALNCD-CYBMUJFWSA-N 0 0 292.448 3.593 10 0 CHAERN CCCC[C@@H](CC)C(=O)N1CCCc2c(N)cccc21 ZINC000163645433 331065008 /nfs/dbraw/zinc/06/50/08/331065008.db2.gz MGVZGTOLRHDOOA-CYBMUJFWSA-N 0 0 274.408 3.764 10 0 CHAERN C[C@H](NC(=O)COC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000164745404 331303284 /nfs/dbraw/zinc/30/32/84/331303284.db2.gz PTKJBCIEOZHXNE-ZDUSSCGKSA-N 0 0 291.435 3.976 10 0 CHAERN CC(=O)Nc1ccc(N[C@@H](C)c2cncs2)cc1Cl ZINC000165032053 331305768 /nfs/dbraw/zinc/30/57/68/331305768.db2.gz QHTQJABJKPVAMI-QMMMGPOBSA-N 0 0 295.795 3.928 10 0 CHAERN CC/C=C/COCc1ccc(Br)cc1 ZINC000308274263 333026787 /nfs/dbraw/zinc/02/67/87/333026787.db2.gz XKXNTNOELPNBGH-ONEGZZNKSA-N 0 0 255.155 3.932 10 0 CHAERN CCC1(C(=O)N[C@@H](C)COCc2ccccc2)CCCC1 ZINC000176653843 333045202 /nfs/dbraw/zinc/04/52/02/333045202.db2.gz NNZLWKLBYUKCFH-HNNXBMFYSA-N 0 0 289.419 3.678 10 0 CHAERN CCc1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000311801643 333072731 /nfs/dbraw/zinc/07/27/31/333072731.db2.gz UJHBQRXGXLURKY-DGCLKSJQSA-N 0 0 264.413 3.850 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000087036095 333081045 /nfs/dbraw/zinc/08/10/45/333081045.db2.gz UHLNALTXVWZXPR-GFCCVEGCSA-N 0 0 288.416 3.508 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1F ZINC000088233921 333087347 /nfs/dbraw/zinc/08/73/47/333087347.db2.gz XXQFRWNVFWOCME-SNVBAGLBSA-N 0 0 293.288 3.903 10 0 CHAERN CC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088352593 333088161 /nfs/dbraw/zinc/08/81/61/333088161.db2.gz YAQMBXBFPYACPM-LBPRGKRZSA-N 0 0 299.345 3.828 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184388335 333128149 /nfs/dbraw/zinc/12/81/49/333128149.db2.gz YENMXGTVXHFZCB-NWDGAFQWSA-N 0 0 296.361 3.508 10 0 CHAERN CCCCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(Cl)c1 ZINC000184848316 333132706 /nfs/dbraw/zinc/13/27/06/333132706.db2.gz WEVQOKJYUOXCHN-HZMBPMFUSA-N 0 0 281.783 3.657 10 0 CHAERN CCc1ccc([C@@H](C)NC(=O)c2c[nH]nc2C(C)C)cc1 ZINC000188823028 333174288 /nfs/dbraw/zinc/17/42/88/333174288.db2.gz BSNDIFCJCRXCQR-GFCCVEGCSA-N 0 0 285.391 3.587 10 0 CHAERN COc1ccc2[nH]c(C(=O)N[C@@H](C)c3ccc(C)o3)cc2c1 ZINC000188924692 333176341 /nfs/dbraw/zinc/17/63/41/333176341.db2.gz KZIAIUTZKPPESJ-NSHDSACASA-N 0 0 298.342 3.569 10 0 CHAERN C[C@@H](NC(=O)Nc1cnns1)c1ccc2ccccc2c1 ZINC000192319026 333234288 /nfs/dbraw/zinc/23/42/88/333234288.db2.gz AIRYMXNYSWKVKG-SNVBAGLBSA-N 0 0 298.371 3.574 10 0 CHAERN CCC1CCC(NC(=O)N(C)[C@H](C)c2cccnc2)CC1 ZINC000195253246 333249229 /nfs/dbraw/zinc/24/92/29/333249229.db2.gz WZUFDVAHWCMZHR-VQCLRJIVSA-N 0 0 289.423 3.753 10 0 CHAERN C[C@H]1CCCC[C@]1(O)c1ccc(Br)cc1 ZINC000521401043 333250003 /nfs/dbraw/zinc/25/00/03/333250003.db2.gz FHOQYJIWJKHJRR-GXFFZTMASA-N 0 0 269.182 3.847 10 0 CHAERN CCO[C@@H](C(=O)N[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000193890868 333260520 /nfs/dbraw/zinc/26/05/20/333260520.db2.gz UPLNQRSAXUQQJM-MAUKXSAKSA-N 0 0 297.398 3.950 10 0 CHAERN CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000194161620 333266494 /nfs/dbraw/zinc/26/64/94/333266494.db2.gz FMOVNXVMEGIJDX-HUUCEWRRSA-N 0 0 287.403 3.843 10 0 CHAERN CC1(C)[C@H](Nc2cccc(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000227060222 333275347 /nfs/dbraw/zinc/27/53/47/333275347.db2.gz QWOBLIQFFBXUNI-JHJVBQTASA-N 0 0 285.309 3.931 10 0 CHAERN CC[C@H](C)Oc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000250401331 333305244 /nfs/dbraw/zinc/30/52/44/333305244.db2.gz LWVATFLPOYSQPJ-XEZPLFJOSA-N 0 0 291.391 3.618 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(C)cc1Br ZINC000229643300 333307163 /nfs/dbraw/zinc/30/71/63/333307163.db2.gz PMHKKFPJVNQPJS-MFKMUULPSA-N 0 0 296.208 3.676 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)NCc1ccccc1Br ZINC000230054968 333312554 /nfs/dbraw/zinc/31/25/54/333312554.db2.gz OQZWKXJJFVTPCJ-CMPLNLGQSA-N 0 0 296.208 3.502 10 0 CHAERN Cc1cc(Br)cnc1NC(=O)[C@H]1CCC[C@H]1C ZINC000230060185 333312662 /nfs/dbraw/zinc/31/26/62/333312662.db2.gz DSBXNEVYWJZODD-KCJUWKMLSA-N 0 0 297.196 3.527 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1-c1cnc(C2CC2)o1 ZINC000530251057 333530296 /nfs/dbraw/zinc/53/02/96/333530296.db2.gz PHXSKIJPFDPSOT-UHFFFAOYSA-N 0 0 268.238 3.820 10 0 CHAERN CCN(CC)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000126803822 333609264 /nfs/dbraw/zinc/60/92/64/333609264.db2.gz FKXSVFKVPWIYAF-JKSUJKDBSA-N 0 0 259.393 3.782 10 0 CHAERN CCc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000128225255 333644883 /nfs/dbraw/zinc/64/48/83/333644883.db2.gz RLOUMKQZLKYWAI-MRXNPFEDSA-N 0 0 298.386 3.889 10 0 CHAERN Cc1csc(NC(=O)N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000128658598 333692833 /nfs/dbraw/zinc/69/28/33/333692833.db2.gz IHKLVVVLOWGTEH-JTQLQIEISA-N 0 0 293.367 3.782 10 0 CHAERN CC(C)[C@H](C)NC(=O)Cc1cc(Cl)ccc1Cl ZINC000129874676 333797513 /nfs/dbraw/zinc/79/75/13/333797513.db2.gz YYXOATDAMZRCOM-VIFPVBQESA-N 0 0 274.191 3.697 10 0 CHAERN O=C(Nc1ccccc1Cl)c1cccc2c1CCCN2 ZINC000130112407 333815443 /nfs/dbraw/zinc/81/54/43/333815443.db2.gz KTFCYNHGVWKRMF-UHFFFAOYSA-N 0 0 286.762 3.950 10 0 CHAERN Cc1cccc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000072577404 333944371 /nfs/dbraw/zinc/94/43/71/333944371.db2.gz IDDZXVZNGLZAAO-CABCVRRESA-N 0 0 282.387 3.673 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)CC2(O)CCCC2)cc1 ZINC000072812677 333962236 /nfs/dbraw/zinc/96/22/36/333962236.db2.gz YVOVWFZLJOZXEF-AWEZNQCLSA-N 0 0 289.419 3.682 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000074001983 333982169 /nfs/dbraw/zinc/98/21/69/333982169.db2.gz RULNEPPTZCGVRR-CYBMUJFWSA-N 0 0 292.398 3.587 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCCC1(C)C ZINC000077510007 334106978 /nfs/dbraw/zinc/10/69/78/334106978.db2.gz BCVXCBNDPWPECA-ZDUSSCGKSA-N 0 0 260.381 3.640 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H]2CCCC(C)(C)C2)c1 ZINC000079975831 334164734 /nfs/dbraw/zinc/16/47/34/334164734.db2.gz XHGUIUIKYPDVMH-AWEZNQCLSA-N 0 0 274.408 3.735 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2cccc(N3CCCC3=O)c2)C1 ZINC000080428402 334171203 /nfs/dbraw/zinc/17/12/03/334171203.db2.gz IDZKFGPQEYVRMY-HIFRSBDPSA-N 0 0 272.392 3.804 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(Cn3cccn3)cc2)C1 ZINC000080457564 334171624 /nfs/dbraw/zinc/17/16/24/334171624.db2.gz OZMSJFJARNJPNM-WMLDXEAASA-N 0 0 269.392 3.922 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000080453322 334171675 /nfs/dbraw/zinc/17/16/75/334171675.db2.gz GAAUZSYRBJBQKU-MNOVXSKESA-N 0 0 276.405 3.721 10 0 CHAERN CC[C@H](C)[C@@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000245480796 334196392 /nfs/dbraw/zinc/19/63/92/334196392.db2.gz XOPXTVIOUZZPTI-XQQFMLRXSA-N 0 0 295.452 3.814 10 0 CHAERN Cc1nc2cc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)ccc2o1 ZINC000245495213 334197215 /nfs/dbraw/zinc/19/72/15/334197215.db2.gz OZWSNBUJIWDCMA-JYAVWHMHSA-N 0 0 270.332 3.511 10 0 CHAERN C[C@@H]1COCC[C@H]1Nc1cc(Cl)cc2cccnc21 ZINC000311527256 334224416 /nfs/dbraw/zinc/22/44/16/334224416.db2.gz XGCJYQBUSBSUHW-ZWNOBZJWSA-N 0 0 276.767 3.725 10 0 CHAERN CC1(C)[C@H](Nc2cccc(-c3cnco3)c2)[C@H]2CCCO[C@H]21 ZINC000247069455 334274896 /nfs/dbraw/zinc/27/48/96/334274896.db2.gz YHNVHPHYEVNZHU-DJIMGWMZSA-N 0 0 298.386 3.957 10 0 CHAERN C[C@H](c1cc(F)ccc1F)N1CCC[C@H]1c1cnn(C)c1 ZINC000247248683 334278219 /nfs/dbraw/zinc/27/82/19/334278219.db2.gz DTTXEXWXOWXFFX-BZNIZROVSA-N 0 0 291.345 3.596 10 0 CHAERN FC1(F)CCC[C@@H](CN2CCNc3ccccc32)C1 ZINC000261558965 334295483 /nfs/dbraw/zinc/29/54/83/334295483.db2.gz XGHORMPKLMVJMR-GFCCVEGCSA-N 0 0 266.335 3.744 10 0 CHAERN CC[C@H](C)N(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000248417092 334300788 /nfs/dbraw/zinc/30/07/88/334300788.db2.gz QRIVSSIYWZLFRF-DVOMOZLQSA-N 0 0 274.408 3.668 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248508331 334304384 /nfs/dbraw/zinc/30/43/84/334304384.db2.gz ZRBRYXXQODVGDU-CZXHOFHRSA-N 0 0 291.357 3.906 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000248508334 334304410 /nfs/dbraw/zinc/30/44/10/334304410.db2.gz ZRBRYXXQODVGDU-FMSGJZPZSA-N 0 0 291.357 3.906 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248566299 334306413 /nfs/dbraw/zinc/30/64/13/334306413.db2.gz NJNFUEVBJPGJDN-NNYUYHANSA-N 0 0 279.346 3.906 10 0 CHAERN CC[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCCO[C@H]1C ZINC000248702301 334314018 /nfs/dbraw/zinc/31/40/18/334314018.db2.gz FUYPPJMSFLZYEH-NUEKZKHPSA-N 0 0 287.403 3.560 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[C@@H]1C ZINC000086674147 334314619 /nfs/dbraw/zinc/31/46/19/334314619.db2.gz AKRLPUKSUBDJST-GXFFZTMASA-N 0 0 257.337 3.646 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCCC[C@H]2CCCCO2)CC(C)(C)C1 ZINC000248865032 334319906 /nfs/dbraw/zinc/31/99/06/334319906.db2.gz HNESOMIPXKYGEA-OWCLPIDISA-N 0 0 295.467 3.914 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(C)C)cc1F ZINC000249377536 334332966 /nfs/dbraw/zinc/33/29/66/334332966.db2.gz YZFJYDIZTNTYHB-UBHSHLNASA-N 0 0 263.356 3.603 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000250541359 334345965 /nfs/dbraw/zinc/34/59/65/334345965.db2.gz NHBJZDTYRQBTJW-BHYGNILZSA-N 0 0 293.451 3.763 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000152859816 334519900 /nfs/dbraw/zinc/51/99/00/334519900.db2.gz UGFKGTJICPKHBF-RYUDHWBXSA-N 0 0 283.412 3.715 10 0 CHAERN CC(C)N(C)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000153008133 334538919 /nfs/dbraw/zinc/53/89/19/334538919.db2.gz SKYIUNLMHNBSLE-HNNXBMFYSA-N 0 0 274.408 3.750 10 0 CHAERN CCCN(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000153198293 334569710 /nfs/dbraw/zinc/56/97/10/334569710.db2.gz VJGYDEJUDJKXCB-IUODEOHRSA-N 0 0 260.381 3.676 10 0 CHAERN CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc(Cl)cn1 ZINC000155073340 334712509 /nfs/dbraw/zinc/71/25/09/334712509.db2.gz LYTUFMHHJLCDDQ-KBPBESRZSA-N 0 0 292.810 3.914 10 0 CHAERN C[C@@H](Nc1ccc(OC(F)F)cn1)c1cccs1 ZINC000271230964 334742195 /nfs/dbraw/zinc/74/21/95/334742195.db2.gz FTPIXDGETUUDBX-MRVPVSSYSA-N 0 0 270.304 3.918 10 0 CHAERN CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157783765 334784105 /nfs/dbraw/zinc/78/41/05/334784105.db2.gz KHSBUFKEVQYKRN-CQSZACIVSA-N 0 0 263.356 3.756 10 0 CHAERN CCn1nccc1CNc1nc2ccc(Cl)cc2s1 ZINC000181540455 335768592 /nfs/dbraw/zinc/76/85/92/335768592.db2.gz GEBDZZAWWINWGI-UHFFFAOYSA-N 0 0 292.795 3.778 10 0 CHAERN Cc1c2nc(NCc3cccnc3)sc2ccc1F ZINC000181984460 335793640 /nfs/dbraw/zinc/79/36/40/335793640.db2.gz LDEVKKXUUGZOBX-UHFFFAOYSA-N 0 0 273.336 3.751 10 0 CHAERN CC(C)c1nnc(CNc2ccc(C(C)C)cc2)n1C ZINC000194989967 336042099 /nfs/dbraw/zinc/04/20/99/336042099.db2.gz DBMNQRGFXOPTFM-UHFFFAOYSA-N 0 0 272.396 3.674 10 0 CHAERN CC(C)c1nnc(CNc2cccc(Cl)c2Cl)n1C ZINC000194987208 336042255 /nfs/dbraw/zinc/04/22/55/336042255.db2.gz VSNYZQVDHXCHDY-UHFFFAOYSA-N 0 0 299.205 3.857 10 0 CHAERN CCc1nc(CN=c2[nH]c3ccc(C)cc3s2)cs1 ZINC000381347361 336059874 /nfs/dbraw/zinc/05/98/74/336059874.db2.gz DMGCLTFPOSHHMT-UHFFFAOYSA-N 0 0 289.429 3.658 10 0 CHAERN CCC1CCC(Nc2ccc(S(C)(=O)=O)cc2F)CC1 ZINC000381431838 336063284 /nfs/dbraw/zinc/06/32/84/336063284.db2.gz UUXZIKADIAGVIG-UHFFFAOYSA-N 0 0 299.411 3.610 10 0 CHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000333720167 533794578 /nfs/dbraw/zinc/79/45/78/533794578.db2.gz NUCCCOOQOUZMOT-PWSUYJOCSA-N 0 0 296.330 3.690 10 0 CHAERN C[C@H](SCc1nnc(C2CC2)n1C)c1cccc(F)c1 ZINC000179822428 518183872 /nfs/dbraw/zinc/18/38/72/518183872.db2.gz JRMUDGNTBGZQPZ-JTQLQIEISA-N 0 0 291.395 3.826 10 0 CHAERN CC(=O)c1ccc(Oc2ccc3nccnc3n2)c(Cl)c1 ZINC000120385052 518400460 /nfs/dbraw/zinc/40/04/60/518400460.db2.gz FTJSDYYJLNKTEG-UHFFFAOYSA-N 0 0 299.717 3.673 10 0 CHAERN CC(C)(C)NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000069200389 518722457 /nfs/dbraw/zinc/72/24/57/518722457.db2.gz FREWXHCDFGFULZ-BQYQJAHWSA-N 0 0 272.175 3.921 10 0 CHAERN CC(C)C[C@H](C)N(C)C(=O)c1cc(Cl)ccc1O ZINC000055482328 519309951 /nfs/dbraw/zinc/30/99/51/519309951.db2.gz CFSJARRLXAGJLI-JTQLQIEISA-N 0 0 269.772 3.552 10 0 CHAERN CC(C)C[C@H](C)[N@H+](C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062755531 519313405 /nfs/dbraw/zinc/31/34/05/519313405.db2.gz AZQADECLURIOQL-ZFWWWQNUSA-N 0 0 263.381 3.569 10 0 CHAERN CC(=O)Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000062770033 519437766 /nfs/dbraw/zinc/43/77/66/519437766.db2.gz HMJHXKAVEXQOIE-UHFFFAOYSA-N 0 0 252.672 3.871 10 0 CHAERN CC(C)N(C)C(=O)N[C@H](C)c1ccccc1Br ZINC000086340307 519597946 /nfs/dbraw/zinc/59/79/46/519597946.db2.gz NNSFISHSNMSUGH-SNVBAGLBSA-N 0 0 299.212 3.560 10 0 CHAERN CC(C)COc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000138970171 519763772 /nfs/dbraw/zinc/76/37/72/519763772.db2.gz AAIOJBBRJLBBHR-UONOGXRCSA-N 0 0 287.407 3.856 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)c1cncc(F)c1 ZINC000049576891 519825726 /nfs/dbraw/zinc/82/57/26/519825726.db2.gz NRGVACQKWWKASU-KCPJHIHWSA-N 0 0 251.345 3.501 10 0 CHAERN CC(C)c1ccccc1N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634839 519846963 /nfs/dbraw/zinc/84/69/63/519846963.db2.gz SRUSJUZWJMOQTD-KBPBESRZSA-N 0 0 295.448 3.578 10 0 CHAERN CC(C)c1ccccc1Oc1ccnc(C(N)=S)c1 ZINC000061813474 519847857 /nfs/dbraw/zinc/84/78/57/519847857.db2.gz XFUISMFLFYZSNA-UHFFFAOYSA-N 0 0 272.373 3.632 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1cccc(F)c1 ZINC000049531434 519857947 /nfs/dbraw/zinc/85/79/47/519857947.db2.gz ZXPIZQWCPOQDIU-SECBINFHSA-N 0 0 265.357 3.812 10 0 CHAERN CCC1CCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788182 519859861 /nfs/dbraw/zinc/85/98/61/519859861.db2.gz FLCYIXZTWCDUHO-UHFFFAOYSA-N 0 0 282.840 3.601 10 0 CHAERN CC(C)c1nn(C)cc1N[C@@H]1CCCc2occc21 ZINC000280895566 519883696 /nfs/dbraw/zinc/88/36/96/519883696.db2.gz PJORULTYSMEESX-GFCCVEGCSA-N 0 0 259.353 3.626 10 0 CHAERN CCCCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187012355 519923579 /nfs/dbraw/zinc/92/35/79/519923579.db2.gz BEDFQNMGAFQCAW-ZDUSSCGKSA-N 0 0 266.410 3.695 10 0 CHAERN CCCCCCC(=O)NC1CCN(c2cccs2)CC1 ZINC000156037155 519955314 /nfs/dbraw/zinc/95/53/14/519955314.db2.gz AAWDWWBEBXSNEU-UHFFFAOYSA-N 0 0 294.464 3.804 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2ccc(F)cc21 ZINC000050870530 520265695 /nfs/dbraw/zinc/26/56/95/520265695.db2.gz OSUKMIPJAQELPI-UHFFFAOYSA-N 0 0 258.218 3.825 10 0 CHAERN CCNc1cc(C)nc(-c2ccc(Br)s2)n1 ZINC000050864603 520270958 /nfs/dbraw/zinc/27/09/58/520270958.db2.gz VXGCCWZWFFIYDT-UHFFFAOYSA-N 0 0 298.209 3.708 10 0 CHAERN CCNc1ccnc2c(OCC(F)(F)F)cccc12 ZINC000050843645 520348989 /nfs/dbraw/zinc/34/89/89/520348989.db2.gz RWYHMAGBFSWSEM-UHFFFAOYSA-N 0 0 270.254 3.608 10 0 CHAERN CCN(CC(C)C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861815 520415637 /nfs/dbraw/zinc/41/56/37/520415637.db2.gz VQSTYXGZSVFJQZ-UHFFFAOYSA-N 0 0 280.437 3.781 10 0 CHAERN CCCOc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139065183 520417398 /nfs/dbraw/zinc/41/73/98/520417398.db2.gz NLHHRNLFTLLGNO-CHWSQXEVSA-N 0 0 273.380 3.610 10 0 CHAERN CCCOc1cccc([C@H](O)c2ccc(C)cc2)c1 ZINC000061668160 520470264 /nfs/dbraw/zinc/47/02/64/520470264.db2.gz KPQMBVKZKIFAOJ-QGZVFWFLSA-N 0 0 256.345 3.866 10 0 CHAERN CCC[C@@H](C)N(C)c1ccc(C(N)=S)cc1Cl ZINC000062795320 520647639 /nfs/dbraw/zinc/64/76/39/520647639.db2.gz VSWWZFMUDMOLRX-SECBINFHSA-N 0 0 270.829 3.599 10 0 CHAERN CCCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127847992 520833417 /nfs/dbraw/zinc/83/34/17/520833417.db2.gz IYEAVWJSXGNRNC-HUUCEWRRSA-N 0 0 293.407 3.847 10 0 CHAERN Fc1cccc(Cl)c1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114202230 534521170 /nfs/dbraw/zinc/52/11/70/534521170.db2.gz JYHOJUWVAZAMLP-HNNXBMFYSA-N 0 0 293.773 3.929 10 0 CHAERN CC1CCC(=CC(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000114691420 520909854 /nfs/dbraw/zinc/90/98/54/520909854.db2.gz XBBRJWOAIFITAW-VYIIXAMBSA-N 0 0 287.407 3.600 10 0 CHAERN CCCCSCc1cc2ccc(OC)cc2nc1N ZINC000050838337 520958341 /nfs/dbraw/zinc/95/83/41/520958341.db2.gz LFYQGEFBTRNJBK-UHFFFAOYSA-N 0 0 276.405 3.859 10 0 CHAERN CCCC[C@@H](C)Nc1ccc(C(N)=S)cc1Cl ZINC000062796064 521011899 /nfs/dbraw/zinc/01/18/99/521011899.db2.gz CYWWXSMHBXYVMW-SECBINFHSA-N 0 0 270.829 3.965 10 0 CHAERN CCC[C@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061277220 521178965 /nfs/dbraw/zinc/17/89/65/521178965.db2.gz VTZLHUJSEPSDIG-ZDUSSCGKSA-N 0 0 273.405 3.980 10 0 CHAERN CCOC(=O)[C@@]1(Nc2ccc(Cl)cc2)CCCSC1 ZINC000061590592 521184090 /nfs/dbraw/zinc/18/40/90/521184090.db2.gz CJTNSMJIUACOKN-CQSZACIVSA-N 0 0 299.823 3.581 10 0 CHAERN CCOc1ccc([C@@](C)(O)c2ccc(C)cc2)cc1 ZINC000055190485 521250224 /nfs/dbraw/zinc/25/02/24/521250224.db2.gz MNTYDGJHRKZXOE-KRWDZBQOSA-N 0 0 256.345 3.650 10 0 CHAERN CCC(C)(C)C(=O)Nc1c(C)cc(Br)cc1N ZINC000054401565 521273915 /nfs/dbraw/zinc/27/39/15/521273915.db2.gz QSVOUPBVHZWPIK-UHFFFAOYSA-N 0 0 299.212 3.714 10 0 CHAERN CCCc1cc(NC)nc(-c2ccc(SC)cc2)n1 ZINC000050864898 521378075 /nfs/dbraw/zinc/37/80/75/521378075.db2.gz XTKICXUNBGZSEK-UHFFFAOYSA-N 0 0 273.405 3.860 10 0 CHAERN CCOc1cccc(OCc2cccc(N)c2C)c1 ZINC000051845327 521404341 /nfs/dbraw/zinc/40/43/41/521404341.db2.gz JZNCHUBYKQZYEI-UHFFFAOYSA-N 0 0 257.333 3.555 10 0 CHAERN CCCc1ccccc1N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601212 521433530 /nfs/dbraw/zinc/43/35/30/521433530.db2.gz ZOOZSLLMAMAZHR-GASCZTMLSA-N 0 0 257.377 3.730 10 0 CHAERN CCN(c1ccccc1C)c1cc2c(cc1N)OCCO2 ZINC000055389255 521502231 /nfs/dbraw/zinc/50/22/31/521502231.db2.gz ULLPMYVACDDMRB-UHFFFAOYSA-N 0 0 284.359 3.506 10 0 CHAERN CCCc1nc(N(C)c2ccccc2C)sc1CO ZINC000055004216 521529030 /nfs/dbraw/zinc/52/90/30/521529030.db2.gz WFONCYISYFPQCB-UHFFFAOYSA-N 0 0 276.405 3.664 10 0 CHAERN CCC1(CC)CCN(c2ccc(Cl)c(CO)n2)CC1 ZINC000062955407 521688433 /nfs/dbraw/zinc/68/84/33/521688433.db2.gz RXUHMONNWPKZAS-UHFFFAOYSA-N 0 0 282.815 3.634 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(C)s2)c1 ZINC000037086616 521806659 /nfs/dbraw/zinc/80/66/59/521806659.db2.gz ZLBPUUAYQHFYEG-GFCCVEGCSA-N 0 0 288.416 3.898 10 0 CHAERN CC[C@H](C)c1noc(N)c1-c1cc(F)cc(F)c1 ZINC000049351203 522065349 /nfs/dbraw/zinc/06/53/49/522065349.db2.gz QLSMRFVKMGNAHH-ZETCQYMHSA-N 0 0 252.264 3.716 10 0 CHAERN CC[C@@H](C)c1ccccc1OCc1nnsc1NC ZINC000050831274 522440040 /nfs/dbraw/zinc/44/00/40/522440040.db2.gz JTDUHBKYMMEMJJ-SNVBAGLBSA-N 0 0 277.393 3.672 10 0 CHAERN CCc1nc2cc(Br)c(C)c(C)c2o1 ZINC000062536934 522480515 /nfs/dbraw/zinc/48/05/15/522480515.db2.gz JBRDSDVXWVUJSS-UHFFFAOYSA-N 0 0 254.127 3.770 10 0 CHAERN CNc1c(F)cccc1C(=O)Nc1ccccc1Cl ZINC000054206450 522546550 /nfs/dbraw/zinc/54/65/50/522546550.db2.gz NOXKCRPVTSNIOW-UHFFFAOYSA-N 0 0 278.714 3.773 10 0 CHAERN CNc1c2c(nc3c(F)ccc(Cl)c31)CCC2 ZINC000050869138 522547163 /nfs/dbraw/zinc/54/71/63/522547163.db2.gz IRQWMRMVLLPCQX-UHFFFAOYSA-N 0 0 250.704 3.558 10 0 CHAERN CNc1cc(C)nc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000050864466 522564871 /nfs/dbraw/zinc/56/48/71/522564871.db2.gz UIKWNONTKIPNHP-UHFFFAOYSA-N 0 0 268.147 3.801 10 0 CHAERN CNc1cc(COc2c(C)cc(Cl)cc2C)ccn1 ZINC000052734321 522568156 /nfs/dbraw/zinc/56/81/56/522568156.db2.gz HMRBBDMVMQCKAN-UHFFFAOYSA-N 0 0 276.767 3.973 10 0 CHAERN CCc1noc(C)c1NC(=O)N[C@@H](C)c1cc(C)oc1C ZINC000155486639 522868502 /nfs/dbraw/zinc/86/85/02/522868502.db2.gz PBNWJJRMFHFTDH-VIFPVBQESA-N 0 0 291.351 3.638 10 0 CHAERN CC[C@@H]([NH2+][C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000049356104 522907822 /nfs/dbraw/zinc/90/78/22/522907822.db2.gz YRWBARCVYIQITD-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN COCc1cc(Cl)nc(-c2cc(C)ccc2C)n1 ZINC000051700440 522926905 /nfs/dbraw/zinc/92/69/05/522926905.db2.gz WAKBHJWVCMSDMS-UHFFFAOYSA-N 0 0 262.740 3.560 10 0 CHAERN COc1cc([C@H](O)Cc2cccs2)cc(Cl)c1OC ZINC000053785331 522952036 /nfs/dbraw/zinc/95/20/36/522952036.db2.gz UTSXZUBHBKFXTK-GFCCVEGCSA-N 0 0 298.791 3.695 10 0 CHAERN CC[C@@H](OC)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000157365905 523024596 /nfs/dbraw/zinc/02/45/96/523024596.db2.gz ODTMEVDWPPQOTO-CQSZACIVSA-N 0 0 284.315 3.693 10 0 CHAERN CCn1cc(COc2c(Cl)cc(Cl)cc2C=O)cn1 ZINC000050539978 523389053 /nfs/dbraw/zinc/38/90/53/523389053.db2.gz RURWHDQFHOMIKN-UHFFFAOYSA-N 0 0 299.157 3.601 10 0 CHAERN CCn1nccc1CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000126980361 523727760 /nfs/dbraw/zinc/72/77/60/523727760.db2.gz HWLMGRANDSQJAW-OAHLLOKOSA-N 0 0 273.380 3.532 10 0 CHAERN CCc1ccc(N(C)c2ncc(C(C)=O)s2)cc1 ZINC000054863196 523959816 /nfs/dbraw/zinc/95/98/16/523959816.db2.gz LGLGVCSVCVDNJC-UHFFFAOYSA-N 0 0 260.362 3.676 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)SC)o1 ZINC000128386955 524053156 /nfs/dbraw/zinc/05/31/56/524053156.db2.gz OHKYPZYNBAHCJY-DGCLKSJQSA-N 0 0 281.421 3.647 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccco2)o1 ZINC000128448635 524053166 /nfs/dbraw/zinc/05/31/66/524053166.db2.gz RFBPDWZWBORYID-CYBMUJFWSA-N 0 0 273.332 3.802 10 0 CHAERN COc1ccc(COC(C)(C)C)cc1Br ZINC000049601130 524111779 /nfs/dbraw/zinc/11/17/79/524111779.db2.gz GOKXCIZECHUOAG-UHFFFAOYSA-N 0 0 273.170 3.773 10 0 CHAERN C[C@@H](CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C ZINC000063202045 524384016 /nfs/dbraw/zinc/38/40/16/524384016.db2.gz LNZPEELWESRTTK-JTQLQIEISA-N 0 0 266.360 3.809 10 0 CHAERN C[C@@H]1CCC[C@](O)(Cc2c(F)cccc2Cl)C1 ZINC000049346166 524432013 /nfs/dbraw/zinc/43/20/13/524432013.db2.gz KUTKACQMRLSIKS-QMTHXVAHSA-N 0 0 256.748 3.963 10 0 CHAERN Cc1ccc(CNc2ccc(Br)cc2N)o1 ZINC000053035846 524615634 /nfs/dbraw/zinc/61/56/34/524615634.db2.gz WODWHRRNLBKROP-UHFFFAOYSA-N 0 0 281.153 3.545 10 0 CHAERN Cc1cc(CC(=O)N[C@H](C)c2ccc(C(C)C)cc2)no1 ZINC000074399564 524629747 /nfs/dbraw/zinc/62/97/47/524629747.db2.gz JYYJVFDJMGZQGY-CYBMUJFWSA-N 0 0 286.375 3.526 10 0 CHAERN Cc1ccc(Cc2nc3c(c(Cl)n2)CCC3)cc1C ZINC000061681400 524693088 /nfs/dbraw/zinc/69/30/88/524693088.db2.gz LIVGAGQLCMPPGL-UHFFFAOYSA-N 0 0 272.779 3.826 10 0 CHAERN COc1ccc(N[C@H](C)CC(C)(C)OC)cc1C ZINC000049528422 524707957 /nfs/dbraw/zinc/70/79/57/524707957.db2.gz ISQAZBMIHPWGAP-GFCCVEGCSA-N 0 0 251.370 3.619 10 0 CHAERN Cc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)on1 ZINC000130292034 524744105 /nfs/dbraw/zinc/74/41/05/524744105.db2.gz ZEPNHNMSHLBMEZ-IRXDYDNUSA-N 0 0 298.386 3.526 10 0 CHAERN COc1ccccc1[C@@H](O)c1ccc(Cl)cc1F ZINC000062785511 524744110 /nfs/dbraw/zinc/74/41/10/524744110.db2.gz YTRTYCXNMGXHKZ-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN C[C@H](Cc1cccs1)Nc1nncc2ccccc21 ZINC000070140890 524756075 /nfs/dbraw/zinc/75/60/75/524756075.db2.gz GBNNZBZOPWFKTD-LLVKDONJSA-N 0 0 269.373 3.734 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)NC(c1cccs1)c1cccs1 ZINC000125560162 524959549 /nfs/dbraw/zinc/95/95/49/524959549.db2.gz GRFBYFUJVVRKGB-VHSXEESVSA-N 0 0 292.429 3.607 10 0 CHAERN Cc1cc(F)ccc1CNc1cccnc1Cl ZINC000050575133 524979709 /nfs/dbraw/zinc/97/97/09/524979709.db2.gz DTZLCWSFJGUAGG-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000087176442 525128717 /nfs/dbraw/zinc/12/87/17/525128717.db2.gz CLWHPIALZQJRHV-PWSUYJOCSA-N 0 0 299.773 3.616 10 0 CHAERN Cc1ccccc1CNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000244263140 525171329 /nfs/dbraw/zinc/17/13/29/525171329.db2.gz WNTADHBDZMYCQH-CQSZACIVSA-N 0 0 296.418 3.633 10 0 CHAERN C[C@@H]1C[C@@H](C)CCN1c1nc2ccc(N)cc2s1 ZINC000063104527 525200091 /nfs/dbraw/zinc/20/00/91/525200091.db2.gz CBXDKKGLNNXITK-VHSXEESVSA-N 0 0 261.394 3.503 10 0 CHAERN Cc1cc(N[C@@H](C)c2cccc(Br)c2)ncn1 ZINC000040727336 525291994 /nfs/dbraw/zinc/29/19/94/525291994.db2.gz HEEBKBYAEBBSCA-JTQLQIEISA-N 0 0 292.180 3.721 10 0 CHAERN C[C@@H](NC(=O)c1ccc(N)c(F)c1)c1ccc(Cl)s1 ZINC000054413396 525330237 /nfs/dbraw/zinc/33/02/37/525330237.db2.gz LBALDXAFWQRJJS-SSDOTTSWSA-N 0 0 298.770 3.614 10 0 CHAERN COc1ccc([C@H](C)Nc2ccc(Cl)cn2)cc1OC ZINC000040491195 525338364 /nfs/dbraw/zinc/33/83/64/525338364.db2.gz WSOMDCHCNADOQZ-JTQLQIEISA-N 0 0 292.766 3.925 10 0 CHAERN COc1ccc([C@H](O)Cc2cccc(Cl)c2)cc1C ZINC000052945477 525377532 /nfs/dbraw/zinc/37/75/32/525377532.db2.gz BYGBJUUDODDZCT-OAHLLOKOSA-N 0 0 276.763 3.933 10 0 CHAERN CSCCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000130193946 525405578 /nfs/dbraw/zinc/40/55/78/525405578.db2.gz ZRDXRGDEQPGMNZ-HNNXBMFYSA-N 0 0 277.433 3.714 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCSCC[C@H]1C ZINC000190179109 525409987 /nfs/dbraw/zinc/40/99/87/525409987.db2.gz AHNQEMIWABCISR-KGLIPLIRSA-N 0 0 292.448 3.593 10 0 CHAERN C[C@@H]1C[C@H](Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1 ZINC000061517742 525458153 /nfs/dbraw/zinc/45/81/53/525458153.db2.gz VBTKVBFSNFHXOI-SFYZADRCSA-N 0 0 290.194 3.772 10 0 CHAERN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743521 525578446 /nfs/dbraw/zinc/57/84/46/525578446.db2.gz ANHIZAPXDDOFRP-XHDPSFHLSA-N 0 0 288.778 3.909 10 0 CHAERN CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066766196 525611600 /nfs/dbraw/zinc/61/16/00/525611600.db2.gz CSTPVXKKVWQRCV-BDAKNGLRSA-N 0 0 289.803 3.655 10 0 CHAERN C[C@H](Nc1ccc(C(N)=S)cc1)c1ccsc1 ZINC000061367619 525649148 /nfs/dbraw/zinc/64/91/48/525649148.db2.gz HPYNEMQOWPWMLC-VIFPVBQESA-N 0 0 262.403 3.555 10 0 CHAERN Cc1ccc(SCc2nc3sccc3c(N)n2)cc1 ZINC000050833950 525664193 /nfs/dbraw/zinc/66/41/93/525664193.db2.gz RCQYMOJIAJDWHN-UHFFFAOYSA-N 0 0 287.413 3.874 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C2CCC2)o1 ZINC000102902026 525701723 /nfs/dbraw/zinc/70/17/23/525701723.db2.gz XLWZVGJMRSZVBV-TZMCWYRMSA-N 0 0 276.380 3.623 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=S)c(Cl)c1)c1ccncc1 ZINC000061849286 525702544 /nfs/dbraw/zinc/70/25/44/525702544.db2.gz KUMCBAZOBFIBAB-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN Cc1ccc(-c2c(N)n(C)nc2C2CCC2)cc1C ZINC000061681290 525709704 /nfs/dbraw/zinc/70/97/04/525709704.db2.gz KRWZAMIMVRIFSG-UHFFFAOYSA-N 0 0 255.365 3.554 10 0 CHAERN C[C@@H](Nc1ncnc(Cl)c1N)c1ccc(Cl)s1 ZINC000062363380 525732305 /nfs/dbraw/zinc/73/23/05/525732305.db2.gz DZWSDDPGCZGYRY-RXMQYKEDSA-N 0 0 289.191 3.600 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccc(C(N)=S)cc2)s1 ZINC000049186093 525751836 /nfs/dbraw/zinc/75/18/36/525751836.db2.gz FEWQGNXXGWDQLV-SNVBAGLBSA-N 0 0 276.430 3.864 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccn2)o1 ZINC000127775303 525797471 /nfs/dbraw/zinc/79/74/71/525797471.db2.gz MJGDDQZLENWCRW-INIZCTEOSA-N 0 0 298.386 3.669 10 0 CHAERN Cc1c(N)cccc1NC(=O)CCSC1CCCC1 ZINC000062829201 525819134 /nfs/dbraw/zinc/81/91/34/525819134.db2.gz FLIDDPIVPHHZQE-UHFFFAOYSA-N 0 0 278.421 3.582 10 0 CHAERN Cc1c(NC2CC2)n[nH]c1-c1ccc(Br)cc1 ZINC000062669034 525866891 /nfs/dbraw/zinc/86/68/91/525866891.db2.gz GHEFSFDOIFFYNM-UHFFFAOYSA-N 0 0 292.180 3.722 10 0 CHAERN Cc1ccsc1[C@H](O)Cc1cccc(Cl)c1 ZINC000052945497 525891313 /nfs/dbraw/zinc/89/13/13/525891313.db2.gz VUPLBFWQDWSIFX-GFCCVEGCSA-N 0 0 252.766 3.986 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2C)o1 ZINC000072604692 525904665 /nfs/dbraw/zinc/90/46/65/525904665.db2.gz PYZBPNCQGFHOFF-NSHDSACASA-N 0 0 276.311 3.918 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C2CC=CC2)o1 ZINC000127831509 525991397 /nfs/dbraw/zinc/99/13/97/525991397.db2.gz JEPNECBPBDAABR-CQSZACIVSA-N 0 0 259.349 3.608 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2c(C)ccn2C)o1 ZINC000189900289 525993116 /nfs/dbraw/zinc/99/31/16/525993116.db2.gz FUTPVXMVUGKWBH-CQSZACIVSA-N 0 0 286.375 3.602 10 0 CHAERN C[C@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccnc1 ZINC000125026401 526109301 /nfs/dbraw/zinc/10/93/01/526109301.db2.gz VBZKFVJBTRAZML-QWQRMKEZSA-N 0 0 294.398 3.940 10 0 CHAERN Cc1ccc2[nH]c(Sc3ccccc3N)nc2c1 ZINC000061439777 526256113 /nfs/dbraw/zinc/25/61/13/526256113.db2.gz BLVBATHPIIWBRT-UHFFFAOYSA-N 0 0 255.346 3.605 10 0 CHAERN O[C@H](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000049346771 526296705 /nfs/dbraw/zinc/29/67/05/526296705.db2.gz QCDXKVIAKLYKRG-GFCCVEGCSA-N 0 0 264.727 3.625 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049577099 526296749 /nfs/dbraw/zinc/29/67/49/526296749.db2.gz LZEUTZNVJKIHCX-CYBMUJFWSA-N 0 0 286.133 3.804 10 0 CHAERN O[C@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052900172 526297714 /nfs/dbraw/zinc/29/77/14/526297714.db2.gz MUYKWMBLVZGFKP-LBPRGKRZSA-N 0 0 297.217 3.657 10 0 CHAERN S=c1[nH]c2cc(Cl)ccc2n1Cc1nccs1 ZINC000049534137 526387472 /nfs/dbraw/zinc/38/74/72/526387472.db2.gz JPGGNLRQMWGSIU-UHFFFAOYSA-N 0 0 281.793 3.857 10 0 CHAERN Fc1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000135769827 526396396 /nfs/dbraw/zinc/39/63/96/526396396.db2.gz WQEMNUJSWZNZOZ-RKDXNWHRSA-N 0 0 262.250 3.754 10 0 CHAERN O=C(CCCC1CCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119881203 526417238 /nfs/dbraw/zinc/41/72/38/526417238.db2.gz UOPDOHMCQBOWBD-SJLPKXTDSA-N 0 0 293.451 3.501 10 0 CHAERN c1cc(NCC2CCOCC2)cc2nc(C3CC3)oc12 ZINC000052176638 526433240 /nfs/dbraw/zinc/43/32/40/526433240.db2.gz QUBFIWBABHVQCX-UHFFFAOYSA-N 0 0 272.348 3.544 10 0 CHAERN c1ccc(-c2nc(N[C@@H]3CCOc4ccccc43)no2)cc1 ZINC000156952957 526454226 /nfs/dbraw/zinc/45/42/26/526454226.db2.gz FKAKUUAZSRCSNA-CQSZACIVSA-N 0 0 293.326 3.672 10 0 CHAERN c1ccc(OCCNc2ccc3c(c2)CCC3)cc1 ZINC000049137254 526486485 /nfs/dbraw/zinc/48/64/85/526486485.db2.gz QZORFQOVVSTCOA-UHFFFAOYSA-N 0 0 253.345 3.666 10 0 CHAERN O=C(c1ccc(Cl)s1)c1cc(F)ccc1F ZINC000051171179 526683646 /nfs/dbraw/zinc/68/36/46/526683646.db2.gz IJPMVCAZSOEAHS-UHFFFAOYSA-N 0 0 258.676 3.911 10 0 CHAERN Cc1nc(CN[C@@H](c2ccccc2)C2CCC2)oc1C ZINC000104702101 526891581 /nfs/dbraw/zinc/89/15/81/526891581.db2.gz JMPFAESXSCBICH-KRWDZBQOSA-N 0 0 270.376 3.922 10 0 CHAERN Clc1ccc(NCc2nc(-c3cccs3)n[nH]2)cc1 ZINC000054700246 526955536 /nfs/dbraw/zinc/95/55/36/526955536.db2.gz RYBQDPFXLYRNCR-UHFFFAOYSA-N 0 0 290.779 3.799 10 0 CHAERN Cn1c(CN(c2ccccc2)C2CCCC2)nnc1C1CC1 ZINC000066567218 527052618 /nfs/dbraw/zinc/05/26/18/527052618.db2.gz DYXODLCCJOSLKS-UHFFFAOYSA-N 0 0 296.418 3.642 10 0 CHAERN Cc1nc[nH]c1CNc1ccc(SC(F)(F)F)cc1 ZINC000054795575 527215888 /nfs/dbraw/zinc/21/58/88/527215888.db2.gz WCWOTFUJMXHHGG-UHFFFAOYSA-N 0 0 287.310 3.942 10 0 CHAERN O=C(Cc1cccs1)c1cnc2ccccc2c1 ZINC000052900079 527304204 /nfs/dbraw/zinc/30/42/04/527304204.db2.gz PVVYFSNXAQKCGF-UHFFFAOYSA-N 0 0 253.326 3.722 10 0 CHAERN Nc1cc(-c2ccccc2)nc2cc(F)c(F)cc12 ZINC000050870003 527440282 /nfs/dbraw/zinc/44/02/82/527440282.db2.gz LZYAHCQPVJQAQL-UHFFFAOYSA-N 0 0 256.255 3.762 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1F ZINC000052842038 527508052 /nfs/dbraw/zinc/50/80/52/527508052.db2.gz YOXOYIXMAYFENH-UHFFFAOYSA-N 0 0 281.334 3.683 10 0 CHAERN OC1(c2cc(Cl)ccc2Cl)Cc2ccccc2C1 ZINC000055190410 527512276 /nfs/dbraw/zinc/51/22/76/527512276.db2.gz UTYSVLLWAIVWMJ-UHFFFAOYSA-N 0 0 279.166 3.980 10 0 CHAERN Cn1nc([C@H]2C[C@H]3CC[C@@H]2C3)c(-c2cccs2)c1N ZINC000052901646 527558028 /nfs/dbraw/zinc/55/80/28/527558028.db2.gz YMQBTPUMKQCSJA-AXFHLTTASA-N 0 0 273.405 3.634 10 0 CHAERN Nc1onc(C[C@H]2C[C@H]3CC[C@@H]2C3)c1-c1cccs1 ZINC000052902153 527581793 /nfs/dbraw/zinc/58/17/93/527581793.db2.gz SSDIXNVNRDNHHH-HBNTYKKESA-N 0 0 274.389 3.964 10 0 CHAERN O[C@@H]1CCCCC[C@H]1c1ccccc1OC(F)(F)F ZINC000055230216 527668460 /nfs/dbraw/zinc/66/84/60/527668460.db2.gz HLYPEQPNBOIUIN-CMPLNLGQSA-N 0 0 274.282 3.994 10 0 CHAERN FC(F)(F)[C@@H]1CCC[C@@H](Nc2cncc(Cl)n2)C1 ZINC000267164355 527677355 /nfs/dbraw/zinc/67/73/55/527677355.db2.gz AVPYSTYHYWYTOG-HTQZYQBOSA-N 0 0 279.693 3.663 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(NCc2ccncn2)c1 ZINC000054788540 527682642 /nfs/dbraw/zinc/68/26/42/527682642.db2.gz UCIGXTHCIJTNHF-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(OCC(C)C)c1 ZINC000087409016 527697733 /nfs/dbraw/zinc/69/77/33/527697733.db2.gz OINFHLOZNLQHOO-CYBMUJFWSA-N 0 0 287.407 3.936 10 0 CHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000330073888 528489634 /nfs/dbraw/zinc/48/96/34/528489634.db2.gz KTWSBOJIQUZMDR-MJBXVCDLSA-N 0 0 290.411 3.506 10 0 CHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000330073887 528489848 /nfs/dbraw/zinc/48/98/48/528489848.db2.gz KTWSBOJIQUZMDR-MELADBBJSA-N 0 0 290.411 3.506 10 0 CHAERN CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000405762227 570411217 /nfs/dbraw/zinc/41/12/17/570411217.db2.gz GWMXEVSAUANDDE-UHFFFAOYSA-N 0 0 269.728 3.890 10 0 CHAERN CC(C)(C)OC(=O)Nc1ccc2ccc(Cl)nc2n1 ZINC000521400139 566895404 /nfs/dbraw/zinc/89/54/04/566895404.db2.gz BWMKFUUMWWGWNJ-UHFFFAOYSA-N 0 0 279.727 3.630 10 0 CHAERN CC1(C)Oc2ccccc2O[C@]1(C)OC(=O)c1ccccc1 ZINC000032105454 567089160 /nfs/dbraw/zinc/08/91/60/567089160.db2.gz BJOXZERPYYGXIF-GOSISDBHSA-N 0 0 298.338 3.810 10 0 CHAERN CC(=O)O[C@H]1CCCCCCCCCC[C@@H]1C1OCCO1 ZINC000048523828 567090576 /nfs/dbraw/zinc/09/05/76/567090576.db2.gz YSEIGAWXYFYXOY-HOTGVXAUSA-N 0 0 298.423 3.822 10 0 CHAERN Cc1ccc(NC(=O)Oc2noc(-c3ccccc3)n2)cc1 ZINC000048547187 567091255 /nfs/dbraw/zinc/09/12/55/567091255.db2.gz LUDRIRVNOGQECJ-UHFFFAOYSA-N 0 0 295.298 3.656 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000058826165 567217570 /nfs/dbraw/zinc/21/75/70/567217570.db2.gz QRIWWNLWSSFGKK-GHMZBOCLSA-N 0 0 253.773 3.772 10 0 CHAERN Cc1cccnc1OCc1cc(F)cc2cccnc21 ZINC000616582138 567212432 /nfs/dbraw/zinc/21/24/32/567212432.db2.gz FLKKRUUPPWTBQD-UHFFFAOYSA-N 0 0 268.291 3.656 10 0 CHAERN COC(CCSc1cccc(Br)c1)OC ZINC000616574017 567213420 /nfs/dbraw/zinc/21/34/20/567213420.db2.gz WWWSTRGADSTQKV-UHFFFAOYSA-N 0 0 291.210 3.550 10 0 CHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2C)c1 ZINC000003481538 567852908 /nfs/dbraw/zinc/85/29/08/567852908.db2.gz QDECEVRIZSGEFX-DHZHZOJOSA-N 0 0 297.354 3.664 10 0 CHAERN Brc1c(-c2cccs2)nc2ccccn12 ZINC000000122367 567872503 /nfs/dbraw/zinc/87/25/03/567872503.db2.gz JBWKQJPDEFIHQG-UHFFFAOYSA-N 0 0 279.162 3.825 10 0 CHAERN C[C@@H]1C[C@H](C)Nc2c(Br)c(C(C)(C)C)nn21 ZINC000235696150 567890041 /nfs/dbraw/zinc/89/00/41/567890041.db2.gz VPVNFIJHOKVOIE-JGVFFNPUSA-N 0 0 286.217 3.708 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1ccc2ncccc2c1 ZINC000406100847 567892610 /nfs/dbraw/zinc/89/26/10/567892610.db2.gz KOZFQLKSQMJJBS-VQHVLOKHSA-N 0 0 255.317 3.590 10 0 CHAERN Fc1cccc(-c2cc(C(F)F)nc(Cl)n2)c1 ZINC000409429025 567899720 /nfs/dbraw/zinc/89/97/20/567899720.db2.gz HLWFKDUFXOUREL-UHFFFAOYSA-N 0 0 258.630 3.874 10 0 CHAERN CCOC(=O)c1c(C)nc(-c2ccco2)cc1C(F)(F)F ZINC000409429310 567899737 /nfs/dbraw/zinc/89/97/37/567899737.db2.gz QPUIEERHFAODHJ-UHFFFAOYSA-N 0 0 299.248 3.846 10 0 CHAERN CCOC(=O)c1ccc(CCc2ccccc2)cc1 ZINC000082048351 567906984 /nfs/dbraw/zinc/90/69/84/567906984.db2.gz NGNHJRTXZFMMKW-UHFFFAOYSA-N 0 0 254.329 3.649 10 0 CHAERN CC(C)Cc1ccc2ccc(Br)nc2n1 ZINC000725252092 567910226 /nfs/dbraw/zinc/91/02/26/567910226.db2.gz DIDZZCHMOMQXSG-UHFFFAOYSA-N 0 0 265.154 3.591 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)c2c(CO)cc(Cl)nc21 ZINC000725259081 567917010 /nfs/dbraw/zinc/91/70/10/567917010.db2.gz CFPRZWRDJYNMOP-KOLCDFICSA-N 0 0 253.773 3.864 10 0 CHAERN COCC[C@@H](CNc1ccccc1)c1ccccc1 ZINC000725266970 567923802 /nfs/dbraw/zinc/92/38/02/567923802.db2.gz OITSNCZYCPHGBC-INIZCTEOSA-N 0 0 255.361 3.919 10 0 CHAERN CC(C)(C)c1ccc2c(c1)C[C@H](O)[C@H](C(C)(C)C)N2 ZINC000725268442 567924017 /nfs/dbraw/zinc/92/40/17/567924017.db2.gz QVLYQFMVGKHRDU-LSDHHAIUSA-N 0 0 261.409 3.728 10 0 CHAERN COc1ccc(C(=O)c2ccc(Cl)cc2)cc1C ZINC000011631614 570219796 /nfs/dbraw/zinc/21/97/96/570219796.db2.gz MQUNHTMSLSWKSA-UHFFFAOYSA-N 0 0 260.720 3.888 10 0 CHAERN O[C@H](c1ccc(Br)c(Cl)c1)C(F)(F)F ZINC000236585433 570227810 /nfs/dbraw/zinc/22/78/10/570227810.db2.gz GRRMRHIHIKXJGB-SSDOTTSWSA-N 0 0 289.478 3.698 10 0 CHAERN O=Cc1ccc(-c2cnc(F)c(C(F)(F)F)c2)cc1 ZINC000584880639 570228672 /nfs/dbraw/zinc/22/86/72/570228672.db2.gz GDROZEQZADNRMV-UHFFFAOYSA-N 0 0 269.197 3.719 10 0 CHAERN CN(C)c1ncc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000584880470 570228763 /nfs/dbraw/zinc/22/87/63/570228763.db2.gz CUSFZNCLCRMOSH-UHFFFAOYSA-N 0 0 284.256 3.973 10 0 CHAERN CNc1c(N)cnc2c(Oc3ccccc3)cccc21 ZINC000584882423 570229436 /nfs/dbraw/zinc/22/94/36/570229436.db2.gz GUSSOEPBQYBHAG-UHFFFAOYSA-N 0 0 265.316 3.651 10 0 CHAERN CCC[C@H](C)c1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243164 570255086 /nfs/dbraw/zinc/25/50/86/570255086.db2.gz NISZDEKNQAGSQX-JTQLQIEISA-N 0 0 259.353 3.606 10 0 CHAERN CCc1cc2nc(C3CCCC3)nn2c(Br)c1 ZINC000725248229 570256069 /nfs/dbraw/zinc/25/60/69/570256069.db2.gz OYNSFUKNMLGALW-UHFFFAOYSA-N 0 0 294.196 3.712 10 0 CHAERN CC[C@H](C)Cc1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248300 570256167 /nfs/dbraw/zinc/25/61/67/570256167.db2.gz QJOYZTCFEZYIKH-QMMMGPOBSA-N 0 0 296.212 3.697 10 0 CHAERN CCN1CCO[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000048547123 570298552 /nfs/dbraw/zinc/29/85/52/570298552.db2.gz ZPERLSNOHOAQQL-GOSISDBHSA-N 0 0 283.371 3.616 10 0 CHAERN Fc1ccc(Cl)cc1-c1cnc(Br)cn1 ZINC000669382595 570352855 /nfs/dbraw/zinc/35/28/55/570352855.db2.gz CASJOFLVGNMGKG-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN CCOC(=O)c1sc(Br)cc1CC(C)C ZINC000675057485 570364790 /nfs/dbraw/zinc/36/47/90/570364790.db2.gz DALJEEDPDHDVSF-UHFFFAOYSA-N 0 0 291.210 3.886 10 0 CHAERN C[C@@H]1CCC[C@](O)(c2cccc(Br)c2)C1 ZINC000675059284 570365372 /nfs/dbraw/zinc/36/53/72/570365372.db2.gz MNRIEKBOSLAIHL-ZWNOBZJWSA-N 0 0 269.182 3.847 10 0 CHAERN CCC(C)(C)C1CCC(O)(c2cnc(N)s2)CC1 ZINC000125403774 570366344 /nfs/dbraw/zinc/36/63/44/570366344.db2.gz QKFRFBDCYGABBV-UHFFFAOYSA-N 0 0 268.426 3.539 10 0 CHAERN CCCCCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406017639 570411531 /nfs/dbraw/zinc/41/15/31/570411531.db2.gz LNRAGSIVJDQFLL-CQSZACIVSA-N 0 0 291.391 3.841 10 0 CHAERN C[C@@H](NC(=O)OCc1ccccc1)C(=O)CCC(C)(C)C ZINC000406025445 570411835 /nfs/dbraw/zinc/41/18/35/570411835.db2.gz QIMNRVLFZRPQJL-CYBMUJFWSA-N 0 0 291.391 3.697 10 0 CHAERN C[C@@H](C[N@H+](CC(=O)[O-])CC(C)(C)C)C1CCCCC1 ZINC000692653640 954704322 /nfs/dbraw/zinc/70/43/22/954704322.db2.gz OAKDFYLSGGXUTF-ZDUSSCGKSA-N 0 0 269.429 3.636 10 0 CHAERN O=C([O-])c1cc(C[NH2+]C(C2CCC2)C2CCC2)cs1 ZINC000689080765 976207779 /nfs/dbraw/zinc/20/77/79/976207779.db2.gz MTQMZQBVLCDUMK-UHFFFAOYSA-N 0 0 279.405 3.505 10 0 CHAERN Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000701823238 977045719 /nfs/dbraw/zinc/04/57/19/977045719.db2.gz MTDSNRVSFOUEED-UHFFFAOYSA-N 0 0 295.382 3.858 10 0 CHAERN CCCC1CC[NH+](Cc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000701830489 977046950 /nfs/dbraw/zinc/04/69/50/977046950.db2.gz OHUOUCYPCIAZOO-UHFFFAOYSA-N 0 0 275.392 3.705 10 0 CHAERN C[C@@H](CC1CCCCC1)[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000701872382 977051145 /nfs/dbraw/zinc/05/11/45/977051145.db2.gz AXISPZPREVGVJP-NSHDSACASA-N 0 0 281.421 3.895 10 0 CHAERN C[C@H](c1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711393958 977543404 /nfs/dbraw/zinc/54/34/04/977543404.db2.gz PWJZMSCYDARUAG-LLVKDONJSA-N 0 0 275.373 3.639 10 0 CHAERN CCC[C@@H](OC(=O)c1ncoc1C)c1ccccc1 ZINC000105765478 1123069851 /nfs/dbraw/zinc/06/98/51/1123069851.db2.gz LGYUXOJWQXBERI-CYBMUJFWSA-N 0 0 259.305 3.681 10 0 CHAERN Clc1sccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194187492 1125552655 /nfs/dbraw/zinc/55/26/55/1125552655.db2.gz ILMHAKRALGEURU-FBIMIBRVSA-N 0 0 269.797 3.771 10 0 CHAERN Cc1cc(NC(=O)CSC(C)(C)C)ccc1F ZINC000103026626 1129684250 /nfs/dbraw/zinc/68/42/50/1129684250.db2.gz AYSHHGQZYLMBIO-UHFFFAOYSA-N 0 0 255.358 3.604 10 0 CHAERN CCOC(=O)c1cc(-c2ccc(CC)cc2)nnc1Cl ZINC000409425882 1118544183 /nfs/dbraw/zinc/54/41/83/1118544183.db2.gz CCAUBOZDGYCYFP-UHFFFAOYSA-N 0 0 290.750 3.536 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)OC1C[C@@H](C)O[C@@H](C)C1 ZINC000588449093 1118788982 /nfs/dbraw/zinc/78/89/82/1118788982.db2.gz FZOXSJNVQVHNJR-RMGKTHERSA-N 0 0 288.387 3.898 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)OC1C[C@H](C)O[C@@H](C)C1 ZINC000588449125 1118789598 /nfs/dbraw/zinc/78/95/98/1118789598.db2.gz QCXOYTOXGDMQLQ-WDSMJVJCSA-N 0 0 292.350 3.728 10 0 CHAERN CC[C@@H](CNC(=O)/C=C\c1ncccc1C)c1ccccc1 ZINC000588451632 1118797072 /nfs/dbraw/zinc/79/70/72/1118797072.db2.gz GAOSCBLEZCKCBK-JNSOCZORSA-N 0 0 294.398 3.713 10 0 CHAERN CCCCN(CCCC)C(=O)/C=C\c1ncccc1C ZINC000588451705 1118797347 /nfs/dbraw/zinc/79/73/47/1118797347.db2.gz SZABUVMYBADOGU-KHPPLWFESA-N 0 0 274.408 3.832 10 0 CHAERN CSc1cccc(N(C)C(=O)/C=C\c2ncccc2C)c1 ZINC000588452738 1118798385 /nfs/dbraw/zinc/79/83/85/1118798385.db2.gz PLVJXBWQHBIHNX-KTKRTIGZSA-N 0 0 298.411 3.788 10 0 CHAERN Cc1ccc([C@H](C)CNC(=O)/C=C\c2ncccc2C)cc1 ZINC000588453245 1118798843 /nfs/dbraw/zinc/79/88/43/1118798843.db2.gz HFKCKWZPODNSTB-BLIJAFNYSA-N 0 0 294.398 3.632 10 0 CHAERN CCC(C)(C)[C@H]1CCCN1C(=O)/C=C\c1ncccc1C ZINC000588453602 1118799953 /nfs/dbraw/zinc/79/99/53/1118799953.db2.gz XKKWUWJUOOMYLT-BLIJAFNYSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C/C(=O)OC/C=C\c1ccccc1 ZINC000588455230 1118801849 /nfs/dbraw/zinc/80/18/49/1118801849.db2.gz KYVBFRKLMAGXGS-CNFUXAHFSA-N 0 0 279.339 3.660 10 0 CHAERN COc1cccc([C@H](C)OC(=O)/C=C\c2ncccc2C)c1 ZINC000588456437 1118805187 /nfs/dbraw/zinc/80/51/87/1118805187.db2.gz YKQWEFVNVTZPNA-CMUBDUJZSA-N 0 0 297.354 3.716 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N1CCC(OCC(C)C)CC1 ZINC000588496512 1118994537 /nfs/dbraw/zinc/99/45/37/1118994537.db2.gz CJWXHLPMVWKGSA-KAMYIIQDSA-N 0 0 281.440 3.642 10 0 CHAERN CC(=O)c1c(C)cccc1NC(=O)C=Cc1ncccc1C ZINC000588545669 1119183319 /nfs/dbraw/zinc/18/33/19/1119183319.db2.gz FQOVCRJHPQNSHP-KTKRTIGZSA-N 0 0 294.354 3.553 10 0 CHAERN Cc1ccc(-n2cccn2)cc1NC(=O)/C=C\C(C)(C)C ZINC000588570297 1119321583 /nfs/dbraw/zinc/32/15/83/1119321583.db2.gz CHCVBORQDFRTMP-HJWRWDBZSA-N 0 0 283.375 3.722 10 0 CHAERN C[C@@H]1CCSCCN1C(=O)/C=C\c1ccccc1Cl ZINC000588586252 1119432047 /nfs/dbraw/zinc/43/20/47/1119432047.db2.gz PHEUHJJRZWWFOR-ZHRWSRJISA-N 0 0 295.835 3.707 10 0 CHAERN COCc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000588597929 1119529236 /nfs/dbraw/zinc/52/92/36/1119529236.db2.gz BRBQHGMKRFTBRD-YVMONPNESA-N 0 0 296.370 3.668 10 0 CHAERN Cc1ccc(OCCOc2ccccc2Cl)cn1 ZINC000101541055 1119655340 /nfs/dbraw/zinc/65/53/40/1119655340.db2.gz VCALUJBIWGEDDM-UHFFFAOYSA-N 0 0 263.724 3.501 10 0 CHAERN CCCn1nccc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000102988496 1119992132 /nfs/dbraw/zinc/99/21/32/1119992132.db2.gz ZJVRNOTXCFKRAO-UHFFFAOYSA-N 0 0 277.755 3.507 10 0 CHAERN CC(C)C(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000103808581 1122096361 /nfs/dbraw/zinc/09/63/61/1122096361.db2.gz AEDBSLJJOMIQFL-OAHLLOKOSA-N 0 0 273.307 3.509 10 0 CHAERN CC[C@H](CC(=O)OCCc1cccnc1)c1ccccc1 ZINC000105558515 1123056000 /nfs/dbraw/zinc/05/60/00/1123056000.db2.gz WQYCDUVHUBUFNR-MRXNPFEDSA-N 0 0 283.371 3.751 10 0 CHAERN CCOc1ccc(NCc2nc(-c3ccoc3)no2)c(C)c1 ZINC000105606903 1123059031 /nfs/dbraw/zinc/05/90/31/1123059031.db2.gz AOSZLLOKJOZEEX-UHFFFAOYSA-N 0 0 299.330 3.649 10 0 CHAERN CS[C@@H](C)C(=O)OCCc1ccccc1C(F)(F)F ZINC000105776156 1123070928 /nfs/dbraw/zinc/07/09/28/1123070928.db2.gz LWYVPIHTWJYWRO-VIFPVBQESA-N 0 0 292.322 3.543 10 0 CHAERN Cc1cc([C@H](C)N[C@@H](C)c2nc(C(C)(C)C)no2)c(C)o1 ZINC000183793689 1123194297 /nfs/dbraw/zinc/19/42/97/1123194297.db2.gz ZJGMHXWAQXTRSE-QWRGUYRKSA-N 0 0 291.395 3.989 10 0 CHAERN C[C@H]1CCC[C@@H]1c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000329719920 1123648978 /nfs/dbraw/zinc/64/89/78/1123648978.db2.gz MPJCPZKLTURXHX-JSGCOSHPSA-N 0 0 298.390 3.635 10 0 CHAERN C[C@@H]1CCC[C@H]1c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000329719922 1123649047 /nfs/dbraw/zinc/64/90/47/1123649047.db2.gz MPJCPZKLTURXHX-TZMCWYRMSA-N 0 0 298.390 3.635 10 0 CHAERN COc1ccccc1CCN(C)C(=O)c1cc(C)cc(C)c1 ZINC000104456128 1123801350 /nfs/dbraw/zinc/80/13/50/1123801350.db2.gz IRYZPZRRVJOJAD-UHFFFAOYSA-N 0 0 297.398 3.627 10 0 CHAERN C(SC1CCOCC1)[C@H]1CCC2(CCCCC2)O1 ZINC000191838077 1125329336 /nfs/dbraw/zinc/32/93/36/1125329336.db2.gz CBZCADHVSYEGLT-CYBMUJFWSA-N 0 0 270.438 3.781 10 0 CHAERN Cc1cccc(CNC(=O)Nc2cc(F)ccc2Cl)n1 ZINC000102801209 1125343169 /nfs/dbraw/zinc/34/31/69/1125343169.db2.gz QFKRFNABTPEGKP-UHFFFAOYSA-N 0 0 293.729 3.504 10 0 CHAERN CCC[C@@H](OC(=O)[C@H](C)SC)c1ccccc1 ZINC000103337075 1129745702 /nfs/dbraw/zinc/74/57/02/1129745702.db2.gz HCCPXDBOPWRTEJ-WCQYABFASA-N 0 0 252.379 3.823 10 0 CHAERN CC(C)Oc1c(Br)cccc1OC1CC1 ZINC000095724825 185020602 /nfs/dbraw/zinc/02/06/02/185020602.db2.gz VIVQJNDDAJHUJR-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CC(C)c1nccc(Br)c1OC1CC1 ZINC000095724037 185020780 /nfs/dbraw/zinc/02/07/80/185020780.db2.gz RXPSRQOJQOCJOR-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)c1cnc(Br)c(OC2CC2)c1 ZINC000095723745 185021045 /nfs/dbraw/zinc/02/10/45/185021045.db2.gz LPKPQJZMIXNVBJ-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN Cc1ccncc1C(=O)c1cccc(C(F)(F)F)c1C ZINC000095725596 185021844 /nfs/dbraw/zinc/02/18/44/185021844.db2.gz XASQMKSIRBVDAB-UHFFFAOYSA-N 0 0 279.261 3.948 10 0 CHAERN CC(=O)c1cc(Cl)cc(CCNC(=O)OC(C)(C)C)c1 ZINC000095764787 185027113 /nfs/dbraw/zinc/02/71/13/185027113.db2.gz GPYFNLULWLFSKP-UHFFFAOYSA-N 0 0 297.782 3.610 10 0 CHAERN CC[C@H]1Cc2cccc(NC(=O)OC(C)(C)C)c2O1 ZINC000095775710 185028412 /nfs/dbraw/zinc/02/84/12/185028412.db2.gz WUGOQEFPNLTMRK-NSHDSACASA-N 0 0 263.337 3.747 10 0 CHAERN COc1cc(-c2ccncc2)c(OC)cc1Br ZINC000095911121 185030483 /nfs/dbraw/zinc/03/04/83/185030483.db2.gz GWKINBYUNQNESI-UHFFFAOYSA-N 0 0 294.148 3.528 10 0 CHAERN CNc1ccc(-c2nc3cccnc3n2C(C)C)cc1 ZINC000082573243 178112786 /nfs/dbraw/zinc/11/27/86/178112786.db2.gz LQUVEXMRWVQEKZ-UHFFFAOYSA-N 0 0 266.348 3.721 10 0 CHAERN O[C@H](c1ccccc1)C1=CCC(Cl)(Cl)C=C1 ZINC000095932596 185032908 /nfs/dbraw/zinc/03/29/08/185032908.db2.gz WLGVEKFIUMWTPC-GFCCVEGCSA-N 0 0 255.144 3.780 10 0 CHAERN O=C1CC[C@]2(C(F)(F)F)Nc3cccc4cccc(c43)N12 ZINC000095930716 185032974 /nfs/dbraw/zinc/03/29/74/185032974.db2.gz CUUSAWIUVMOJTD-AWEZNQCLSA-N 0 0 292.260 3.651 10 0 CHAERN CC(C)(C(=O)Nc1cccc(Cl)c1)c1ccc(N)cc1 ZINC000082698449 178198864 /nfs/dbraw/zinc/19/88/64/178198864.db2.gz VWLQBTNDSATTMU-UHFFFAOYSA-N 0 0 288.778 3.839 10 0 CHAERN CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000082717645 178233194 /nfs/dbraw/zinc/23/31/94/178233194.db2.gz AVOQGKBDYMURFD-VIFPVBQESA-N 0 0 272.097 3.686 10 0 CHAERN Cc1cnc(NCc2ccccc2)c2cccc(N)c12 ZINC000082765819 178280164 /nfs/dbraw/zinc/28/01/64/178280164.db2.gz FEGAAVVDXXCIFJ-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN COc1nccc2cccc(NCc3ccccc3)c21 ZINC000082767679 178282222 /nfs/dbraw/zinc/28/22/22/178282222.db2.gz IBBFSNQEPFGIBH-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN Cc1cc(C)c2c(C)cc(Br)nc2c1 ZINC000082788551 178293480 /nfs/dbraw/zinc/29/34/80/178293480.db2.gz GQADACWBBJDGSF-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CC(C)(C)c2ccc(N)cc21 ZINC000083254921 178371231 /nfs/dbraw/zinc/37/12/31/178371231.db2.gz BXRBRLKQFCQTGE-ZDUSSCGKSA-N 0 0 276.380 3.516 10 0 CHAERN Oc1cccc(CNc2c(F)cccc2Cl)c1 ZINC000083385650 178394577 /nfs/dbraw/zinc/39/45/77/178394577.db2.gz PATNDTHLNSIJCK-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Fc1ccc(CNc2cccc(F)n2)c(Cl)c1 ZINC000083400065 178413401 /nfs/dbraw/zinc/41/34/01/178413401.db2.gz QSHJRGYYHAZIHG-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN Nc1cccc(C(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000096887382 185123211 /nfs/dbraw/zinc/12/32/11/185123211.db2.gz VNVJPUNECUVDDV-UHFFFAOYSA-N 0 0 271.703 3.899 10 0 CHAERN Cc1nc(C)c(-c2csc(Br)n2)s1 ZINC000096943052 185134004 /nfs/dbraw/zinc/13/40/04/185134004.db2.gz BJRNCEPDMINTNI-UHFFFAOYSA-N 0 0 275.196 3.646 10 0 CHAERN CC[C@]1(C)CN(c2ccnc3c(F)cc(F)cc23)CCO1 ZINC000302691593 529407973 /nfs/dbraw/zinc/40/79/73/529407973.db2.gz VISYWYWGMISAFN-MRXNPFEDSA-N 0 0 292.329 3.518 10 0 CHAERN CC[C@@H]1CCCCN1c1ccc(Br)cc1CO ZINC000097757592 136523289 /nfs/dbraw/zinc/52/32/89/136523289.db2.gz XROFLDKCVHTCJG-CYBMUJFWSA-N 0 0 298.224 3.710 10 0 CHAERN Cn1nc(-c2ccccc2)c2cnc3ccccc3c21 ZINC000085346524 179029077 /nfs/dbraw/zinc/02/90/77/179029077.db2.gz CXJAUQHZKNBYLH-UHFFFAOYSA-N 0 0 259.312 3.789 10 0 CHAERN Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C)ccc1N ZINC000019271958 136576933 /nfs/dbraw/zinc/57/69/33/136576933.db2.gz JLKONYFMRPEOEA-ZDUSSCGKSA-N 0 0 280.371 3.559 10 0 CHAERN CCOc1cc(O[C@H]2CCC[C@H](C)C2)c(N)cc1F ZINC000104134008 185904123 /nfs/dbraw/zinc/90/41/23/185904123.db2.gz JFLTZXGRLLLALR-QWRGUYRKSA-N 0 0 267.344 3.764 10 0 CHAERN CCOc1cc(NCCc2ccsc2)c(N)cc1F ZINC000104139018 185908125 /nfs/dbraw/zinc/90/81/25/185908125.db2.gz PHLXFLANTZXXRY-UHFFFAOYSA-N 0 0 280.368 3.523 10 0 CHAERN CCC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000104166091 185915575 /nfs/dbraw/zinc/91/55/75/185915575.db2.gz FGKLKKPZHNOTRW-SECBINFHSA-N 0 0 260.255 3.743 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000104171502 185916119 /nfs/dbraw/zinc/91/61/19/185916119.db2.gz YEXAMFWUCUGEPG-KOLCDFICSA-N 0 0 282.840 3.965 10 0 CHAERN Cc1ccnc2[nH]c(Cc3cccc(Cl)c3)nc21 ZINC000104219495 185934909 /nfs/dbraw/zinc/93/49/09/185934909.db2.gz SXEDQGBCCROSQP-UHFFFAOYSA-N 0 0 257.724 3.511 10 0 CHAERN CCc1c(Cl)ncnc1O[C@@H]1CCCC[C@@H]1C ZINC000104221241 185935420 /nfs/dbraw/zinc/93/54/20/185935420.db2.gz MZTYIJFBJPJQRG-GXSJLCMTSA-N 0 0 254.761 3.650 10 0 CHAERN COc1cc(NC(=O)OC(C)(C)C)cc2[nH]ccc21 ZINC000089204514 179753315 /nfs/dbraw/zinc/75/33/15/179753315.db2.gz NGDCKHOVEWTNJK-UHFFFAOYSA-N 0 0 262.309 3.524 10 0 CHAERN CSc1cccc(NC(=O)c2c(N)cccc2Cl)c1 ZINC000104331753 185972209 /nfs/dbraw/zinc/97/22/09/185972209.db2.gz BLFIKIZAVMKMOI-UHFFFAOYSA-N 0 0 292.791 3.896 10 0 CHAERN CCOC(CCOc1ccccc1SC)OCC ZINC000104345392 185976349 /nfs/dbraw/zinc/97/63/49/185976349.db2.gz YZFMEBOBMAVUKH-UHFFFAOYSA-N 0 0 270.394 3.577 10 0 CHAERN CCOC(CCOc1cccc(Cl)c1)OCC ZINC000104360641 185983645 /nfs/dbraw/zinc/98/36/45/185983645.db2.gz ORPYQJXCBUSOKE-UHFFFAOYSA-N 0 0 258.745 3.508 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)Cc1csc(C)n1 ZINC000104380788 185987296 /nfs/dbraw/zinc/98/72/96/185987296.db2.gz YBRUPIZRRLGQEU-KWCYVHTRSA-N 0 0 253.411 3.571 10 0 CHAERN Cc1ccc(N)c(NC(=O)C[C@H](C)C(C)(C)C)c1C ZINC000104432712 186000212 /nfs/dbraw/zinc/00/02/12/186000212.db2.gz XWTDPBDNAKTQHE-NSHDSACASA-N 0 0 262.397 3.896 10 0 CHAERN COc1ccc(F)cc1[C@H](O)C[C@H](C)C(C)(C)C ZINC000104432834 186000566 /nfs/dbraw/zinc/00/05/66/186000566.db2.gz OKFWWUXHHXJFBL-GXFFZTMASA-N 0 0 254.345 3.940 10 0 CHAERN CC(C)(C)OC(=O)Nc1ccc2c(cccc2CO)c1 ZINC000090728127 180033094 /nfs/dbraw/zinc/03/30/94/180033094.db2.gz SVCBWTLHNBMQEI-UHFFFAOYSA-N 0 0 273.332 3.679 10 0 CHAERN CC(C)n1cnc2c1ncnc2SCc1ccccc1 ZINC000090770536 180038017 /nfs/dbraw/zinc/03/80/17/180038017.db2.gz GQCAMABUHYIVNF-UHFFFAOYSA-N 0 0 284.388 3.700 10 0 CHAERN CCc1ccc(NC=C2c3ccccc3NC2=O)cc1 ZINC000104489242 186007602 /nfs/dbraw/zinc/00/76/02/186007602.db2.gz WTJKIXQYOSLJRO-RVDMUPIBSA-N 0 0 264.328 3.654 10 0 CHAERN O=Cc1ccc(-c2ccccc2)cc1Br ZINC000091365435 180142192 /nfs/dbraw/zinc/14/21/92/180142192.db2.gz ZSBBCCLFWAMIEJ-UHFFFAOYSA-N 0 0 261.118 3.929 10 0 CHAERN COC(=O)c1cccc2c3sccc3c(Cl)nc12 ZINC000091691782 180228226 /nfs/dbraw/zinc/22/82/26/180228226.db2.gz DETWKNZAVZFASI-UHFFFAOYSA-N 0 0 277.732 3.890 10 0 CHAERN Cc1cnc2c(c1)[C@H](NC(=S)Nc1ccccc1)CCC2 ZINC000169324390 188658601 /nfs/dbraw/zinc/65/86/01/188658601.db2.gz VCFSZZFSGOBOQW-MRXNPFEDSA-N 0 0 297.427 3.754 10 0 CHAERN Cc1ncc2c(c1O)CN(c1ccc(C(C)C)cc1)C2 ZINC000196799696 189682804 /nfs/dbraw/zinc/68/28/04/189682804.db2.gz MWLQIRVURDJSBT-UHFFFAOYSA-N 0 0 268.360 3.739 10 0 CHAERN C[C@@H](Nc1cc2c(cc1Cl)OCO2)c1cncs1 ZINC000165351759 261368987 /nfs/dbraw/zinc/36/89/87/261368987.db2.gz OPXZOROAJUAYEV-SSDOTTSWSA-N 0 0 282.752 3.698 10 0 CHAERN COc1ccc2nc(Nc3ccccc3O)sc2c1 ZINC000261507273 190040016 /nfs/dbraw/zinc/04/00/16/190040016.db2.gz GZQAVRDQFXEFBY-UHFFFAOYSA-N 0 0 272.329 3.754 10 0 CHAERN Cc1ccc(NCCC(=O)c2ccccc2)c(C)c1 ZINC000000052478 169518399 /nfs/dbraw/zinc/51/83/99/169518399.db2.gz YSBQYRWHALSXDL-UHFFFAOYSA-N 0 0 253.345 3.988 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1ccc(Cl)cc1 ZINC000107078986 261878689 /nfs/dbraw/zinc/87/86/89/261878689.db2.gz FDQHBCAMIGUUDV-SNVBAGLBSA-N 0 0 296.827 3.902 10 0 CHAERN O=C(/C(Cl)=C/c1ccccc1)N1CCc2ccccc21 ZINC000000492141 169655643 /nfs/dbraw/zinc/65/56/43/169655643.db2.gz MRKCTACYJOKZKG-QINSGFPZSA-N 0 0 283.758 3.856 10 0 CHAERN COc1cc(Cl)nc2c(Br)cccc12 ZINC000238341474 256699423 /nfs/dbraw/zinc/69/94/23/256699423.db2.gz NSWQRBVSQDDLKB-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN O=Cc1cn(Cc2ccc(F)cc2F)c2ccccc12 ZINC000080333276 177642772 /nfs/dbraw/zinc/64/27/72/177642772.db2.gz XTMPDXFVMDHERE-UHFFFAOYSA-N 0 0 271.266 3.780 10 0 CHAERN O=C1OC(c2ccccc2)=NC1Cc1ccccc1 ZINC000080277105 177636202 /nfs/dbraw/zinc/63/62/02/177636202.db2.gz FCIVAYYGHJIQME-UHFFFAOYSA-N 0 0 251.285 3.638 10 0 CHAERN O=Cc1ccccc1-c1cccc(Br)c1 ZINC000001258750 169693301 /nfs/dbraw/zinc/69/33/01/169693301.db2.gz BDQLHZYYZSBIAB-UHFFFAOYSA-N 0 0 261.118 3.929 10 0 CHAERN CCOC(=O)c1ccccc1CN(C(C)C)C(F)(F)F ZINC000095091703 184941446 /nfs/dbraw/zinc/94/14/46/184941446.db2.gz JYZLKOOXNHSLSG-UHFFFAOYSA-N 0 0 289.297 3.594 10 0 CHAERN CC(C)(C)CCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000171431133 335065699 /nfs/dbraw/zinc/06/56/99/335065699.db2.gz MVRDMUGUGRSRJO-AWEZNQCLSA-N 0 0 275.392 3.843 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000171444125 335066168 /nfs/dbraw/zinc/06/61/68/335066168.db2.gz LGNPLYCVNIXJCP-GFCCVEGCSA-N 0 0 293.432 3.942 10 0 CHAERN CC(=O)c1ccc(N2CCc3sccc3C2)cc1 ZINC000019871025 134711676 /nfs/dbraw/zinc/71/16/76/134711676.db2.gz CQCMDRYDVYLFNW-UHFFFAOYSA-N 0 0 257.358 3.513 10 0 CHAERN CC(C)(C)c1nc2ccc(Br)cc2o1 ZINC000041569105 174568061 /nfs/dbraw/zinc/56/80/61/174568061.db2.gz ZEEZCNKWYALMPV-UHFFFAOYSA-N 0 0 254.127 3.888 10 0 CHAERN COc1ccc(-c2oc3cc(C)ccc3c(=O)c2OC)cc1 ZINC000001909054 169762885 /nfs/dbraw/zinc/76/28/85/169762885.db2.gz DRDDPHMXPAZWSG-UHFFFAOYSA-N 0 0 296.322 3.786 10 0 CHAERN Cc1cc(C)cc(Nc2nc3ccccc3n3cnnc23)c1 ZINC000004823207 170023946 /nfs/dbraw/zinc/02/39/46/170023946.db2.gz MYPZTOFHSLXMSN-UHFFFAOYSA-N 0 0 289.342 3.638 10 0 CHAERN C[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cccc2)C1 ZINC000005055311 170061872 /nfs/dbraw/zinc/06/18/72/170061872.db2.gz IXRUOXJERBPCSM-WMZOPIPTSA-N 0 0 296.414 3.530 10 0 CHAERN CSc1ccc(-c2ccc(Br)cc2)nn1 ZINC000005107998 170066870 /nfs/dbraw/zinc/06/68/70/170066870.db2.gz BTGUDBFXHZXCNG-UHFFFAOYSA-N 0 0 281.178 3.628 10 0 CHAERN CCC[C@@H](O)[C@H](C)Sc1nc2ccccc2s1 ZINC000005311083 170084837 /nfs/dbraw/zinc/08/48/37/170084837.db2.gz ZVJAAIVVPNYVCM-GXSJLCMTSA-N 0 0 267.419 3.938 10 0 CHAERN CCCC[C@H](c1ccccn1)n1nnc2ccccc21 ZINC000005310107 170084872 /nfs/dbraw/zinc/08/48/72/170084872.db2.gz ZKPUCBKTJQXBQJ-OAHLLOKOSA-N 0 0 266.348 3.606 10 0 CHAERN CCN(CC)c1ccc2nc(-c3ccncc3)oc2c1 ZINC000005311896 170085101 /nfs/dbraw/zinc/08/51/01/170085101.db2.gz UPFIEFIZMNHAAM-UHFFFAOYSA-N 0 0 267.332 3.736 10 0 CHAERN CC[C@@H](c1cc2ccccc2n1C)n1nnc2ccccc21 ZINC000005327690 170085834 /nfs/dbraw/zinc/08/58/34/170085834.db2.gz CJIBDGMRWNAKCN-HNNXBMFYSA-N 0 0 290.370 3.922 10 0 CHAERN CCOC(=O)c1ccc(NCCc2ccccc2)cc1 ZINC000005393427 170093888 /nfs/dbraw/zinc/09/38/88/170093888.db2.gz GZBHHHGNQOSDLR-UHFFFAOYSA-N 0 0 269.344 3.518 10 0 CHAERN C[C@H](NC(=O)c1cccc(F)c1)c1cccc(Cl)c1 ZINC000005550922 170112539 /nfs/dbraw/zinc/11/25/39/170112539.db2.gz KHTRJUWHNNSCTK-JTQLQIEISA-N 0 0 277.726 3.970 10 0 CHAERN Nc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000005589566 170116535 /nfs/dbraw/zinc/11/65/35/170116535.db2.gz KUYKYOVIYGLSFD-UHFFFAOYSA-N 0 0 275.351 3.553 10 0 CHAERN CCCc1ccc(OCc2ccc(C(N)=S)cc2)cc1 ZINC000005592559 170117396 /nfs/dbraw/zinc/11/73/96/170117396.db2.gz HCOPKBTWKVBBQW-UHFFFAOYSA-N 0 0 285.412 3.852 10 0 CHAERN CCCCOC(=O)Nc1ccc(C(=O)OCCCC)cc1 ZINC000005597027 170117774 /nfs/dbraw/zinc/11/77/74/170117774.db2.gz NADBPFMAWHPDBS-UHFFFAOYSA-N 0 0 293.363 3.992 10 0 CHAERN O=S(=O)(Oc1cccc2ccccc21)c1cccs1 ZINC000005605028 170118791 /nfs/dbraw/zinc/11/87/91/170118791.db2.gz YVMKOKJSLLWFRL-UHFFFAOYSA-N 0 0 290.365 3.669 10 0 CHAERN CCOC(=O)Nc1nc(-c2ccc(OCC)cc2)cs1 ZINC000005653657 170124733 /nfs/dbraw/zinc/12/47/33/170124733.db2.gz YGZHOJXWAHQVMG-UHFFFAOYSA-N 0 0 292.360 3.777 10 0 CHAERN O=C(C[C@]1(c2ccccc2)OCCS1)c1ccccc1 ZINC000005772664 170139207 /nfs/dbraw/zinc/13/92/07/170139207.db2.gz ZVRWKXUNSBDOKW-KRWDZBQOSA-N 0 0 284.380 3.876 10 0 CHAERN CCCNc1nc(Cl)nc(N[C@H](C)c2ccccc2)n1 ZINC000005835172 170145290 /nfs/dbraw/zinc/14/52/90/170145290.db2.gz ZSQLEOZGSVEBCP-SNVBAGLBSA-N 0 0 291.786 3.520 10 0 CHAERN Nc1ccc2sc(-c3ccccc3)cc(=O)c2c1 ZINC000005939296 170159396 /nfs/dbraw/zinc/15/93/96/170159396.db2.gz YXHOFCMMUHPVEW-UHFFFAOYSA-N 0 0 253.326 3.511 10 0 CHAERN CCCCCCONC(=O)Nc1ccc(C)cc1 ZINC000005951154 170161053 /nfs/dbraw/zinc/16/10/53/170161053.db2.gz SRTNFNDUNABGRB-UHFFFAOYSA-N 0 0 250.342 3.628 10 0 CHAERN CCc1ccccc1-c1nnc(-c2cccc(OC)c2)[nH]1 ZINC000005956799 170162206 /nfs/dbraw/zinc/16/22/06/170162206.db2.gz GXCZZAKPGMYPDJ-UHFFFAOYSA-N 0 0 279.343 3.710 10 0 CHAERN Cc1ccccc1-c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000006071960 170174034 /nfs/dbraw/zinc/17/40/34/170174034.db2.gz YFPAVAXUTBXIAH-UHFFFAOYSA-N 0 0 253.280 3.586 10 0 CHAERN CC(C)(C)NC(=O)/C(=C\c1ccco1)c1ccccc1 ZINC000006211768 170182834 /nfs/dbraw/zinc/18/28/34/170182834.db2.gz PKIKZLWLWIINTF-QINSGFPZSA-N 0 0 269.344 3.735 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NC2CCCCC2)cc1Cl ZINC000006285162 170188367 /nfs/dbraw/zinc/18/83/67/170188367.db2.gz BABQKGMGHRNMCW-GFCCVEGCSA-N 0 0 294.826 3.898 10 0 CHAERN Cc1noc(C)c1-c1ccc(C(=O)Nc2ccccn2)s1 ZINC000006571249 170214265 /nfs/dbraw/zinc/21/42/65/170214265.db2.gz IYTBLGMXITUZSY-UHFFFAOYSA-N 0 0 299.355 3.667 10 0 CHAERN CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007038944 170263360 /nfs/dbraw/zinc/26/33/60/170263360.db2.gz BEGXDUCBTAWSIM-UHFFFAOYSA-N 0 0 270.115 3.613 10 0 CHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)nc1)c1cccs1 ZINC000007078161 170266904 /nfs/dbraw/zinc/26/69/04/170266904.db2.gz OSAOXMGFMWPBCU-ZDUSSCGKSA-N 0 0 294.807 3.924 10 0 CHAERN CCN(CC)C(=O)c1ccc(-c2cccs2)cc1 ZINC000007263540 170274422 /nfs/dbraw/zinc/27/44/22/170274422.db2.gz NDHJMZDOLQLBQJ-UHFFFAOYSA-N 0 0 259.374 3.897 10 0 CHAERN CCCN(CCC)C(=O)c1cc(C)nc2ccc(F)cc21 ZINC000007262235 170274426 /nfs/dbraw/zinc/27/44/26/170274426.db2.gz UJLJDYZCXSMGCD-UHFFFAOYSA-N 0 0 288.366 3.945 10 0 CHAERN Cc1cc(=S)[nH]c2ccc(Br)cc12 ZINC000007277807 170275725 /nfs/dbraw/zinc/27/57/25/170275725.db2.gz PRHMIVNTCDJOFP-UHFFFAOYSA-N 0 0 254.152 3.968 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1 ZINC000007609435 170293532 /nfs/dbraw/zinc/29/35/32/170293532.db2.gz HRBAQGCGGMDFSN-OUKQBFOZSA-N 0 0 267.328 3.737 10 0 CHAERN CN(C)c1nc(-c2ccccc2Br)cs1 ZINC000007845107 170304865 /nfs/dbraw/zinc/30/48/65/170304865.db2.gz GKEQMCRNLNYHAI-UHFFFAOYSA-N 0 0 283.194 3.639 10 0 CHAERN COC(=O)c1c(N)oc(-c2ccccc2)c1-c1ccccc1 ZINC000008378105 170333851 /nfs/dbraw/zinc/33/38/51/170333851.db2.gz MWSLXKQZVAUVDO-UHFFFAOYSA-N 0 0 293.322 3.982 10 0 CHAERN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2O)cc1 ZINC000008378885 170334204 /nfs/dbraw/zinc/33/42/04/170334204.db2.gz JOJLBKOSTROFDG-CSKARUKUSA-N 0 0 267.328 3.661 10 0 CHAERN Cc1cc(Br)cnc1Oc1ccccc1 ZINC000008409857 170335406 /nfs/dbraw/zinc/33/54/06/170335406.db2.gz VGDUEFRFLBKUHY-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN O=C(Nc1ccccc1-n1cccc1)c1ccccc1F ZINC000008435750 170336165 /nfs/dbraw/zinc/33/61/65/170336165.db2.gz LRCZCCAKTMWFSD-UHFFFAOYSA-N 0 0 280.302 3.869 10 0 CHAERN CC[C@@H](C(=O)Nc1cccc(OC(C)=O)c1)c1ccccc1 ZINC000008906639 170358427 /nfs/dbraw/zinc/35/84/27/170358427.db2.gz OIGRECOESGHKLF-QGZVFWFLSA-N 0 0 297.354 3.744 10 0 CHAERN CC(C)c1cccc2sc(NC(=O)[C@@H]3CCCO3)nc21 ZINC000008967722 170359845 /nfs/dbraw/zinc/35/98/45/170359845.db2.gz PTOCZPFICXCWHG-NSHDSACASA-N 0 0 290.388 3.537 10 0 CHAERN CCSc1ccc(C(=O)Nc2onc3c2CCC3)cc1 ZINC000008976472 170360159 /nfs/dbraw/zinc/36/01/59/170360159.db2.gz VFMLHLIDOQMRBC-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN CCSc1cccc(C(=O)Nc2onc3c2CCC3)c1 ZINC000008976469 170360334 /nfs/dbraw/zinc/36/03/34/170360334.db2.gz KFLBOJYNXMGRPA-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN Cc1nn(C(=O)COc2ccc(C(C)C)cc2)c(C)c1C ZINC000010155508 170399141 /nfs/dbraw/zinc/39/91/41/170399141.db2.gz HVLGPNHEMMJJMN-UHFFFAOYSA-N 0 0 286.375 3.651 10 0 CHAERN Nc1cccc2c1CN(c1ccccc1Br)C2 ZINC000011731016 170434981 /nfs/dbraw/zinc/43/49/81/170434981.db2.gz DFOQXBJFIZUGOR-UHFFFAOYSA-N 0 0 289.176 3.552 10 0 CHAERN O=C1CCc2cc(OCCCC(F)(F)F)ccc21 ZINC000013479538 170555140 /nfs/dbraw/zinc/55/51/40/170555140.db2.gz NXDUCJHCTJGKBR-UHFFFAOYSA-N 0 0 258.239 3.537 10 0 CHAERN CC(C)C[C@@H]1Cc2c(ccc3ccccc32)OC1=O ZINC000013560920 170562608 /nfs/dbraw/zinc/56/26/08/170562608.db2.gz GJJKGRWGJHUOLH-CYBMUJFWSA-N 0 0 254.329 3.964 10 0 CHAERN O=C(CSc1ccc(Br)cc1)C(F)(F)F ZINC000013859412 170605409 /nfs/dbraw/zinc/60/54/09/170605409.db2.gz FGXIQFOFUUHSBZ-UHFFFAOYSA-N 0 0 299.111 3.673 10 0 CHAERN Cc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1N ZINC000019401644 170785011 /nfs/dbraw/zinc/78/50/11/170785011.db2.gz OQROCINTYDSWMV-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN CCCCN(CC)c1ccc(Br)cc1N ZINC000019425078 170794664 /nfs/dbraw/zinc/79/46/64/170794664.db2.gz LCSYBIOWGZUQQC-UHFFFAOYSA-N 0 0 271.202 3.658 10 0 CHAERN Cc1ccc(C)c([C@@H](c2ccccc2)n2nccc2N)c1 ZINC000019689230 170841675 /nfs/dbraw/zinc/84/16/75/170841675.db2.gz AWZHMKIJVHCRHD-GOSISDBHSA-N 0 0 277.371 3.720 10 0 CHAERN NC(=S)c1ccc(Nc2cccc3ccccc32)nc1 ZINC000019805538 170874282 /nfs/dbraw/zinc/87/42/82/170874282.db2.gz XODFDYVSZZEHEM-UHFFFAOYSA-N 0 0 279.368 3.613 10 0 CHAERN NC(=S)c1ccccc1COc1ccc(Cl)cc1 ZINC000019806098 170875048 /nfs/dbraw/zinc/87/50/48/170875048.db2.gz LODAJTRXEXJZSZ-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN NC(=S)c1ccc(CO[C@H]2CCCc3ccccc32)cc1 ZINC000019806229 170875105 /nfs/dbraw/zinc/87/51/05/170875105.db2.gz WDVGXQPJNOLWSV-KRWDZBQOSA-N 0 0 297.423 3.915 10 0 CHAERN Cc1cc(N)ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000019811198 170879198 /nfs/dbraw/zinc/87/91/98/170879198.db2.gz KZHFJDVVEXHSQH-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN Nc1ccc(OC2CCCCC2)cc1C(F)(F)F ZINC000019845640 170894008 /nfs/dbraw/zinc/89/40/08/170894008.db2.gz PJMZZRQNGNLOGH-UHFFFAOYSA-N 0 0 259.271 3.999 10 0 CHAERN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccccc1N ZINC000019846304 170894768 /nfs/dbraw/zinc/89/47/68/170894768.db2.gz XINCJOLZPFQOKG-SNVBAGLBSA-N 0 0 290.363 3.527 10 0 CHAERN Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(N)c2)cc1 ZINC000019846200 170894867 /nfs/dbraw/zinc/89/48/67/170894867.db2.gz QHKQSUZBOGCFCQ-LBPRGKRZSA-N 0 0 286.400 3.697 10 0 CHAERN Cc1ccc(Sc2cc3c(cc2N)OCCO3)cc1C ZINC000019869389 170900799 /nfs/dbraw/zinc/90/07/99/170900799.db2.gz BFRMYXOIEYMLHP-UHFFFAOYSA-N 0 0 287.384 3.808 10 0 CHAERN COc1ccc(N[C@H](C)c2ccc(O)cc2)c(OC)c1 ZINC000019903384 170915226 /nfs/dbraw/zinc/91/52/26/170915226.db2.gz XRWDNFIBWZGLLO-LLVKDONJSA-N 0 0 273.332 3.583 10 0 CHAERN COc1ccc(OC)c(N[C@H](C)c2cccs2)c1 ZINC000019910554 170921633 /nfs/dbraw/zinc/92/16/33/170921633.db2.gz KHKVPSIIRGYFES-SNVBAGLBSA-N 0 0 263.362 3.938 10 0 CHAERN COc1ccc(OC)c(N[C@H](C)c2ccc(O)cc2)c1 ZINC000019910498 170921723 /nfs/dbraw/zinc/92/17/23/170921723.db2.gz REVQRHOZJHRVTK-LLVKDONJSA-N 0 0 273.332 3.583 10 0 CHAERN CC[C@H](C)C[C@H](CC)Nc1ccc(S(C)(=O)=O)cc1 ZINC000019917644 170926409 /nfs/dbraw/zinc/92/64/09/170926409.db2.gz DPRANDQCPMUIMH-STQMWFEESA-N 0 0 283.437 3.717 10 0 CHAERN COc1cc([C@H](C)Nc2ccc(C)cc2)ccc1O ZINC000019964492 170945900 /nfs/dbraw/zinc/94/59/00/170945900.db2.gz WLLNOBLIRYOYQC-LBPRGKRZSA-N 0 0 257.333 3.882 10 0 CHAERN Cc1ccc(CN2c3ccccc3C[C@H]2C)cc1N ZINC000020072829 170983240 /nfs/dbraw/zinc/98/32/40/170983240.db2.gz SSPIFCKCZQLHLS-CYBMUJFWSA-N 0 0 252.361 3.528 10 0 CHAERN NC(=S)c1ccccc1O[C@H]1CCCc2ccccc21 ZINC000020077375 170985204 /nfs/dbraw/zinc/98/52/04/170985204.db2.gz VMYKWFSUYZJBPB-HNNXBMFYSA-N 0 0 283.396 3.777 10 0 CHAERN c1ccc2sc(CN[C@@H]3CCOc4ccccc43)nc2c1 ZINC000020136337 171023649 /nfs/dbraw/zinc/02/36/49/171023649.db2.gz UVSNGDOMEZAWBG-CYBMUJFWSA-N 0 0 296.395 3.910 10 0 CHAERN C[C@H](Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000020147417 171033785 /nfs/dbraw/zinc/03/37/85/171033785.db2.gz XVZBYGCUHFCBAL-AWEZNQCLSA-N 0 0 280.371 3.987 10 0 CHAERN Oc1cccc(NCc2ccc(F)c(Br)c2)c1 ZINC000020193905 171059455 /nfs/dbraw/zinc/05/94/55/171059455.db2.gz BMZRLPRSERQNNY-UHFFFAOYSA-N 0 0 296.139 3.906 10 0 CHAERN Oc1cccc(NCc2c(F)cccc2Cl)c1 ZINC000020193896 171059652 /nfs/dbraw/zinc/05/96/52/171059652.db2.gz QXLNKWQYWWJEIR-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN CC(C)c1ccc([C@H]([NH3+])CCC(=O)[O-])c(C(C)C)c1 ZINC000020217224 171079365 /nfs/dbraw/zinc/07/93/65/171079365.db2.gz YKSSGSFNCNQNIB-OAHLLOKOSA-N 0 0 263.381 3.798 10 0 CHAERN CCOc1ccc(NCc2c(C)noc2C)cc1OCC ZINC000020252947 171104852 /nfs/dbraw/zinc/10/48/52/171104852.db2.gz XEHIVNUAOIWSLL-UHFFFAOYSA-N 0 0 290.363 3.701 10 0 CHAERN Cn1c(C=O)ccc1-c1ccc(Cl)cc1Cl ZINC000020272407 171127843 /nfs/dbraw/zinc/12/78/43/171127843.db2.gz ZCDVRGUOTUVEGV-UHFFFAOYSA-N 0 0 254.116 3.811 10 0 CHAERN Nc1cccnc1Oc1cc(Cl)ccc1Cl ZINC000020278579 171132036 /nfs/dbraw/zinc/13/20/36/171132036.db2.gz CHFPQTPWTZPIRW-UHFFFAOYSA-N 0 0 255.104 3.763 10 0 CHAERN COC(=O)c1ccc(COc2c(C)cc(C)cc2C)cc1 ZINC000020297830 171137819 /nfs/dbraw/zinc/13/78/19/171137819.db2.gz OAGHKMYGGKPHLQ-UHFFFAOYSA-N 0 0 284.355 3.977 10 0 CHAERN CC(C)c1cccc(NCC(=O)Nc2ccccc2F)c1 ZINC000020302987 171140248 /nfs/dbraw/zinc/14/02/48/171140248.db2.gz DNZGRFWRIMOKEC-UHFFFAOYSA-N 0 0 286.350 4.000 10 0 CHAERN Cc1ccc(N2Cc3ccccc3C2=N)c(Cl)c1 ZINC000020303734 171140348 /nfs/dbraw/zinc/14/03/48/171140348.db2.gz TUXPFCKQLWXZFX-UHFFFAOYSA-N 0 0 256.736 3.994 10 0 CHAERN CC(C)c1cccc(NCC(=O)Nc2ccccc2)c1 ZINC000020302977 171140473 /nfs/dbraw/zinc/14/04/73/171140473.db2.gz JDZMOQIYGFNYAL-UHFFFAOYSA-N 0 0 268.360 3.861 10 0 CHAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)C ZINC000020313053 171145107 /nfs/dbraw/zinc/14/51/07/171145107.db2.gz HUWHLJCEGJEXAU-QMMMGPOBSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCC(=O)Nc1nc(-c2cccc(N)c2)cs1 ZINC000020336148 171152317 /nfs/dbraw/zinc/15/23/17/171152317.db2.gz BCFSKEXCVINUMJ-UHFFFAOYSA-N 0 0 275.377 3.521 10 0 CHAERN COc1ccccc1COc1c(N)cccc1Cl ZINC000020353520 171157037 /nfs/dbraw/zinc/15/70/37/171157037.db2.gz DBEPPRGEDLSYFV-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NCCC(C)C)c(Cl)c1 ZINC000020366646 171165121 /nfs/dbraw/zinc/16/51/21/171165121.db2.gz SZPMPQDQNKBEAX-LBPRGKRZSA-N 0 0 282.815 3.611 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366571 171165220 /nfs/dbraw/zinc/16/52/20/171165220.db2.gz JJULGJTZQMIBQK-SECBINFHSA-N 0 0 289.206 3.710 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366391 171165296 /nfs/dbraw/zinc/16/52/96/171165296.db2.gz YYMQLPFZKGDNHG-DTWKUNHWSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCCNC(=O)[C@H](C)Nc1ccc(SC)cc1 ZINC000020367532 171165849 /nfs/dbraw/zinc/16/58/49/171165849.db2.gz AAHROCVXDXTLAZ-LBPRGKRZSA-N 0 0 280.437 3.515 10 0 CHAERN CCCN(CCC)c1ccc(NC(=O)CC(C)C)cn1 ZINC000020371693 171168477 /nfs/dbraw/zinc/16/84/77/171168477.db2.gz HKNFQWFJPGKBCR-UHFFFAOYSA-N 0 0 277.412 3.693 10 0 CHAERN CCCCCNc1ccc(Br)cc1N ZINC000020382693 171173194 /nfs/dbraw/zinc/17/31/94/171173194.db2.gz UJYOFCMZTLFJKP-UHFFFAOYSA-N 0 0 257.175 3.633 10 0 CHAERN COc1ccc(CNc2ccc(N)cc2Cl)cc1 ZINC000020382775 171173240 /nfs/dbraw/zinc/17/32/40/171173240.db2.gz IPSKQVDBADZJAG-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN OCc1c(Cl)cccc1Oc1ccc(F)cc1F ZINC000020435258 171201191 /nfs/dbraw/zinc/20/11/91/171201191.db2.gz CMLZCFYNVYVPJK-UHFFFAOYSA-N 0 0 270.662 3.903 10 0 CHAERN Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C=O ZINC000020445241 171206074 /nfs/dbraw/zinc/20/60/74/171206074.db2.gz KJCGIOPMNCAXKW-UHFFFAOYSA-N 0 0 285.130 3.640 10 0 CHAERN Nc1cccc(Cl)c1NCc1cccc(F)c1 ZINC000020473488 171217580 /nfs/dbraw/zinc/21/75/80/171217580.db2.gz XSDPBSYZFDOIHC-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Ic1ccc(NC2CCCC2)cc1 ZINC000020477911 171221397 /nfs/dbraw/zinc/22/13/97/171221397.db2.gz UCIBTZBQNOXUAM-UHFFFAOYSA-N 0 0 287.144 3.646 10 0 CHAERN CC(C)CSCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000020484178 171223805 /nfs/dbraw/zinc/22/38/05/171223805.db2.gz LUOQBERMHWJAPG-UHFFFAOYSA-N 0 0 286.828 3.640 10 0 CHAERN CNc1c(Cl)cc(Br)cc1Cl ZINC000020505931 171228417 /nfs/dbraw/zinc/22/84/17/171228417.db2.gz UPPRTGPCOAJSFT-UHFFFAOYSA-N 0 0 254.942 3.798 10 0 CHAERN COc1ccc(Cl)cc1N[C@H](C)CC(C)(C)OC ZINC000020524342 171237223 /nfs/dbraw/zinc/23/72/23/171237223.db2.gz IRAOKBKBCFIWHO-SNVBAGLBSA-N 0 0 271.788 3.964 10 0 CHAERN CCOc1ccccc1N[C@@H](C)CC(C)(C)OC ZINC000020524228 171237299 /nfs/dbraw/zinc/23/72/99/171237299.db2.gz NFADJNYRHKADOJ-LBPRGKRZSA-N 0 0 251.370 3.701 10 0 CHAERN COc1ccc(N[C@H](C)CC(C)(C)OC)cc1Cl ZINC000020524225 171237497 /nfs/dbraw/zinc/23/74/97/171237497.db2.gz RJSIXONTLHDMCG-SNVBAGLBSA-N 0 0 271.788 3.964 10 0 CHAERN Nc1cccnc1Nc1ccccc1SC(F)F ZINC000020585123 171258553 /nfs/dbraw/zinc/25/85/53/171258553.db2.gz VBRRVUHBNZBWBD-UHFFFAOYSA-N 0 0 267.304 3.722 10 0 CHAERN S=c1[nH]nc(C2CC2)n1Cc1ccccc1Cl ZINC000020589140 171260528 /nfs/dbraw/zinc/26/05/28/171260528.db2.gz SMXPAODLCWLIIB-UHFFFAOYSA-N 0 0 265.769 3.520 10 0 CHAERN CCCC1N=NC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000020588834 171260545 /nfs/dbraw/zinc/26/05/45/171260545.db2.gz VIVJIDJQXGXYCP-UHFFFAOYSA-N 0 0 288.203 3.815 10 0 CHAERN S=C1N=NC(C2CC2)N1c1cccc(Cl)c1Cl ZINC000020590800 171261052 /nfs/dbraw/zinc/26/10/52/171261052.db2.gz WZEGYHFKCHUWNF-UHFFFAOYSA-N 0 0 286.187 3.740 10 0 CHAERN S=C1N=NC(c2cccs2)N1CCc1cccs1 ZINC000020591265 171261318 /nfs/dbraw/zinc/26/13/18/171261318.db2.gz SKMPRSGDTSFLEP-UHFFFAOYSA-N 0 0 293.442 3.600 10 0 CHAERN CC(C)[C@H](C)N1C(=S)N=NC1c1cccs1 ZINC000020591276 171261379 /nfs/dbraw/zinc/26/13/79/171261379.db2.gz VACQGPNAHSRONA-QMMMGPOBSA-N 0 0 253.396 3.512 10 0 CHAERN Clc1nc2ccccc2cc1CNCc1cccnc1 ZINC000020935419 171281549 /nfs/dbraw/zinc/28/15/49/171281549.db2.gz SMPLHOFQZMWFOB-UHFFFAOYSA-N 0 0 283.762 3.573 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 ZINC000021001244 171284733 /nfs/dbraw/zinc/28/47/33/171284733.db2.gz VWJQISZBYPYVEX-AWEZNQCLSA-N 0 0 299.370 3.723 10 0 CHAERN CCOc1ccc(OCC)c(N[C@@H](C)C(C)C)c1 ZINC000021008655 171285361 /nfs/dbraw/zinc/28/53/61/171285361.db2.gz WNMDOCQDWYLOHO-LBPRGKRZSA-N 0 0 251.370 3.940 10 0 CHAERN CCC[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000021009683 171286501 /nfs/dbraw/zinc/28/65/01/171286501.db2.gz GRZNVTHPUARTPS-YFKPBYRVSA-N 0 0 253.214 3.983 10 0 CHAERN CCCCN(CC)c1ccc(N)c(C(F)(F)F)c1 ZINC000021020034 171290481 /nfs/dbraw/zinc/29/04/81/171290481.db2.gz YOMUUGWNQRZSJE-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN CCc1ccc(Nc2ccccc2C(N)=S)cc1 ZINC000021034545 171292305 /nfs/dbraw/zinc/29/23/05/171292305.db2.gz BNUKJTQAYYHCDW-UHFFFAOYSA-N 0 0 256.374 3.627 10 0 CHAERN Nc1cc(Br)cc(C(F)(F)F)c1Cl ZINC000021303621 171301660 /nfs/dbraw/zinc/30/16/60/171301660.db2.gz JJHIPAVNYPOJRL-UHFFFAOYSA-N 0 0 274.467 3.704 10 0 CHAERN Cc1ccc(C)c(OCc2ccc(C(N)=S)cc2F)c1 ZINC000021520993 171316187 /nfs/dbraw/zinc/31/61/87/171316187.db2.gz XELMROBHQGJYNI-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN Cc1c(C)n(-c2cc(F)cc(F)c2)c2ncnc(Cl)c12 ZINC000021779350 171322201 /nfs/dbraw/zinc/32/22/01/171322201.db2.gz YJPFYQINYFYGNV-UHFFFAOYSA-N 0 0 293.704 3.969 10 0 CHAERN CC[C@@H](C)Cn1c2ccccc2nc1[C@H]1CCCO1 ZINC000021782644 171322594 /nfs/dbraw/zinc/32/25/94/171322594.db2.gz YAOPWNPRMOMYMQ-IUODEOHRSA-N 0 0 258.365 3.934 10 0 CHAERN O=Cc1cc(Cl)cc(Cl)c1OCc1cccnc1 ZINC000021951856 171340029 /nfs/dbraw/zinc/34/00/29/171340029.db2.gz PLTFMVPSUSCDMY-UHFFFAOYSA-N 0 0 282.126 3.780 10 0 CHAERN Nc1ccc(F)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021953525 171340733 /nfs/dbraw/zinc/34/07/33/171340733.db2.gz WCZXONKLSNHUIH-UHFFFAOYSA-N 0 0 288.366 3.563 10 0 CHAERN COc1ccc(NC(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000021958243 171341654 /nfs/dbraw/zinc/34/16/54/171341654.db2.gz VIKIDALIFWEJQX-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N)c(C)c1 ZINC000021959810 171342443 /nfs/dbraw/zinc/34/24/43/171342443.db2.gz BCUVOWBUWVTKGX-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1cccs1 ZINC000021964567 171343364 /nfs/dbraw/zinc/34/33/64/171343364.db2.gz FREQBVNVKYXXOA-UHFFFAOYSA-N 0 0 286.278 3.601 10 0 CHAERN COc1ccc2nn(-c3ccc(OC)c(Cl)c3)cc2c1 ZINC000021987280 171345612 /nfs/dbraw/zinc/34/56/12/171345612.db2.gz ZFQKXZGOSZFELO-UHFFFAOYSA-N 0 0 288.734 3.696 10 0 CHAERN CCc1cc2cc(Br)ccc2nc1C ZINC000021987734 171345727 /nfs/dbraw/zinc/34/57/27/171345727.db2.gz QKJHWLXWAHVKFZ-UHFFFAOYSA-N 0 0 250.139 3.868 10 0 CHAERN COC(=O)[C@H]1CCCC[C@H]1SCc1ccccc1 ZINC000021993770 171346870 /nfs/dbraw/zinc/34/68/70/171346870.db2.gz IIAYUZFEGVWNGR-UONOGXRCSA-N 0 0 264.390 3.652 10 0 CHAERN COc1ccc2c(ccn2Cc2ccc(F)cc2)c1 ZINC000022006148 171348885 /nfs/dbraw/zinc/34/88/85/171348885.db2.gz MBZRWEZYGAHWBN-UHFFFAOYSA-N 0 0 255.292 3.837 10 0 CHAERN Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000022141051 171355215 /nfs/dbraw/zinc/35/52/15/171355215.db2.gz OZJIDHYZEGABEI-UHFFFAOYSA-N 0 0 280.249 3.540 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1cccc(F)c1 ZINC000022145517 171356157 /nfs/dbraw/zinc/35/61/57/171356157.db2.gz OLMYBCAESQOPMT-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Nc1ccc(NC(=O)CC2CCCC2)cc1C(F)(F)F ZINC000022150951 171358598 /nfs/dbraw/zinc/35/85/98/171358598.db2.gz XFDDZHBIVQKIQQ-UHFFFAOYSA-N 0 0 286.297 3.806 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000022331646 171385695 /nfs/dbraw/zinc/38/56/95/171385695.db2.gz UAYPMSVVHQZUJR-KRWDZBQOSA-N 0 0 285.774 3.834 10 0 CHAERN CC(C)CNC(=O)C1(c2ccccc2)CCCCC1 ZINC000024544619 171436554 /nfs/dbraw/zinc/43/65/54/171436554.db2.gz HSKIXMHVIJMLNJ-UHFFFAOYSA-N 0 0 259.393 3.661 10 0 CHAERN CCCCC[C@@]1(C)CC(=O)c2ccc(OC)cc2O1 ZINC000027551804 171520519 /nfs/dbraw/zinc/52/05/19/171520519.db2.gz KMCINQRDKJSDPS-INIZCTEOSA-N 0 0 262.349 3.999 10 0 CHAERN Cc1c2cccc(C)c2oc1C(=O)N1CCS[C@@H](C)C1 ZINC000171566621 335070996 /nfs/dbraw/zinc/07/09/96/335070996.db2.gz KKHDUMNQMPXCID-NSHDSACASA-N 0 0 289.400 3.627 10 0 CHAERN CCc1c2ccc(O)cc2[nH]c1-c1ccc(O)cc1 ZINC000029230357 171590706 /nfs/dbraw/zinc/59/07/06/171590706.db2.gz GUHPNWLKXXMUKY-UHFFFAOYSA-N 0 0 253.301 3.809 10 0 CHAERN Cc1cccc2c(C)cc(=O)n(Cc3ccccc3F)c12 ZINC000032530428 171732190 /nfs/dbraw/zinc/73/21/90/171732190.db2.gz OSROPDLPCAQRFT-UHFFFAOYSA-N 0 0 281.330 3.806 10 0 CHAERN O=C(/C=C\c1ccc(F)cc1)NCCCc1ccccc1 ZINC000033448978 171803829 /nfs/dbraw/zinc/80/38/29/171803829.db2.gz STACBOSSTHYHFG-RAXLEYEMSA-N 0 0 283.346 3.588 10 0 CHAERN CCCCNc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000033494753 171807415 /nfs/dbraw/zinc/80/74/15/171807415.db2.gz PTTVWZLOOVSWIJ-UHFFFAOYSA-N 0 0 276.163 3.992 10 0 CHAERN Cc1ccc2[nH]c(-c3ccccc3)c(NC(N)=S)c2c1 ZINC000033639417 171816165 /nfs/dbraw/zinc/81/61/65/171816165.db2.gz QWQSKYYRVFLURC-UHFFFAOYSA-N 0 0 281.384 3.799 10 0 CHAERN Brc1ccccc1CCO[C@H]1CCCCO1 ZINC000034063453 171830525 /nfs/dbraw/zinc/83/05/25/171830525.db2.gz FFIANHVBVFPUHD-ZDUSSCGKSA-N 0 0 285.181 3.535 10 0 CHAERN Cc1ccc2[nH]c(SCc3ccccc3N)nc2c1 ZINC000034216074 171834492 /nfs/dbraw/zinc/83/44/92/171834492.db2.gz MBRYJBUMHCPVPJ-UHFFFAOYSA-N 0 0 269.373 3.746 10 0 CHAERN O[C@@H](c1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000034547298 171843818 /nfs/dbraw/zinc/84/38/18/171843818.db2.gz RWQQITKISKEGJK-LLVKDONJSA-N 0 0 258.264 3.849 10 0 CHAERN COc1ccc(-c2ccc(Br)nc2)cc1 ZINC000034576957 171844772 /nfs/dbraw/zinc/84/47/72/171844772.db2.gz UDKGKTWDKCKFNB-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN COC(=O)c1cccc(N[C@@H](C)c2cccs2)c1 ZINC000034961037 171905938 /nfs/dbraw/zinc/90/59/38/171905938.db2.gz NGHZSUPZYSFDTD-JTQLQIEISA-N 0 0 261.346 3.708 10 0 CHAERN O=C(c1cccc(Br)c1)c1ccc(F)cc1F ZINC000034976521 171911152 /nfs/dbraw/zinc/91/11/52/171911152.db2.gz AJJQQWRGEOSMLM-UHFFFAOYSA-N 0 0 297.098 3.958 10 0 CHAERN CCC[C@@H]1CC[C@](O)(c2ccc(Br)cc2)OC1 ZINC000035029171 171941171 /nfs/dbraw/zinc/94/11/71/171941171.db2.gz ZJQVEUBISAVSID-BXUZGUMPSA-N 0 0 299.208 3.821 10 0 CHAERN CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccccc12 ZINC000035134589 172001480 /nfs/dbraw/zinc/00/14/80/172001480.db2.gz ZFBBHGHGOBSTDW-LBPRGKRZSA-N 0 0 256.349 3.573 10 0 CHAERN FC(F)Sc1ccccc1NC[C@H]1CCCCO1 ZINC000035150888 172014246 /nfs/dbraw/zinc/01/42/46/172014246.db2.gz QEJWQPWCUSPXSI-SNVBAGLBSA-N 0 0 273.348 3.982 10 0 CHAERN Cc1cc(Br)ccc1NC[C@H]1CCCCO1 ZINC000035150869 172014650 /nfs/dbraw/zinc/01/46/50/172014650.db2.gz INIQVJDUZGIOPD-GFCCVEGCSA-N 0 0 284.197 3.739 10 0 CHAERN FC(F)Sc1ccccc1NC[C@@H]1CCCCO1 ZINC000035150887 172014658 /nfs/dbraw/zinc/01/46/58/172014658.db2.gz QEJWQPWCUSPXSI-JTQLQIEISA-N 0 0 273.348 3.982 10 0 CHAERN Cc1cc(OCc2nnsc2Cl)ccc1Cl ZINC000035163596 172025005 /nfs/dbraw/zinc/02/50/05/172025005.db2.gz SVDSBEHVOHTNKM-UHFFFAOYSA-N 0 0 275.160 3.732 10 0 CHAERN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)c1ccc(F)cc1 ZINC000035181740 172035410 /nfs/dbraw/zinc/03/54/10/172035410.db2.gz FBQFWPSTZPSZDL-GFCCVEGCSA-N 0 0 284.330 3.965 10 0 CHAERN Cn1ccc(C(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000035182084 172035453 /nfs/dbraw/zinc/03/54/53/172035453.db2.gz ZOSIJKDVDBGOQK-UHFFFAOYSA-N 0 0 271.360 3.584 10 0 CHAERN COc1cccc(O[C@@H](C)C(=O)c2ccc(C)cc2)c1 ZINC000035182816 172036428 /nfs/dbraw/zinc/03/64/28/172036428.db2.gz XBAZDFITIDKJQD-ZDUSSCGKSA-N 0 0 270.328 3.654 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(F)c(F)c2)c1 ZINC000035183710 172036681 /nfs/dbraw/zinc/03/66/81/172036681.db2.gz NBKSTFSRLMRQSC-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN COc1ccc(C(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000035183666 172036855 /nfs/dbraw/zinc/03/68/55/172036855.db2.gz FCSRCZZZEXAOOH-CYBMUJFWSA-N 0 0 270.328 3.654 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000035183862 172037383 /nfs/dbraw/zinc/03/73/83/172037383.db2.gz WBLLXZCTCYMRCP-SNVBAGLBSA-N 0 0 262.255 3.615 10 0 CHAERN C[C@H](Oc1cccc(F)c1)C(=O)c1ccc(F)c(F)c1 ZINC000035184101 172037556 /nfs/dbraw/zinc/03/75/56/172037556.db2.gz CHOHEXSDMVHHDI-VIFPVBQESA-N 0 0 280.245 3.754 10 0 CHAERN COC(=O)[C@@H](N[C@H](C)c1cccc2ccccc21)C(C)C ZINC000035185747 172039848 /nfs/dbraw/zinc/03/98/48/172039848.db2.gz RWLFNMRNUOTLSP-DYVFJYSZSA-N 0 0 285.387 3.688 10 0 CHAERN CC(=O)c1ccc2ccccc2c1OCC(F)(F)F ZINC000035186757 172041183 /nfs/dbraw/zinc/04/11/83/172041183.db2.gz AXSHZICZLIZDMM-UHFFFAOYSA-N 0 0 268.234 3.984 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 ZINC000035188752 172043590 /nfs/dbraw/zinc/04/35/90/172043590.db2.gz PAEXDRKPCPZDHB-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN CC(C)(C)n1nc(-c2ccc(Br)cc2)cc1N ZINC000035277063 172096304 /nfs/dbraw/zinc/09/63/04/172096304.db2.gz QVHBVTNWSHDYLE-UHFFFAOYSA-N 0 0 294.196 3.650 10 0 CHAERN Nc1ccc(NCCc2cccs2)c2ncccc12 ZINC000035341935 172134094 /nfs/dbraw/zinc/13/40/94/172134094.db2.gz QDKBSWBRFRSMSM-UHFFFAOYSA-N 0 0 269.373 3.533 10 0 CHAERN Cc1ccc(C)c(C(=O)c2ccc(Br)o2)c1 ZINC000035368432 172159722 /nfs/dbraw/zinc/15/97/22/172159722.db2.gz QMQFUSRWGWMQAE-UHFFFAOYSA-N 0 0 279.133 3.890 10 0 CHAERN Cc1ccc(C(=O)c2c[nH]c3cc(Cl)ccc23)o1 ZINC000035369735 172161626 /nfs/dbraw/zinc/16/16/26/172161626.db2.gz QWLAOXZPSIHRDQ-UHFFFAOYSA-N 0 0 259.692 3.954 10 0 CHAERN N[C@@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035381258 172163223 /nfs/dbraw/zinc/16/32/23/172163223.db2.gz OSEZZEIJPBTGMK-VIFPVBQESA-N 0 0 292.585 3.805 10 0 CHAERN CN[C@@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035498280 172231331 /nfs/dbraw/zinc/23/13/31/172231331.db2.gz VFKBNOBWYXICCG-LBPRGKRZSA-N 0 0 273.735 3.989 10 0 CHAERN CCN[C@H](c1occc1C)c1ccc(F)cc1F ZINC000035547259 172255425 /nfs/dbraw/zinc/25/54/25/172255425.db2.gz CSHNSDWZHBJPES-ZDUSSCGKSA-N 0 0 251.276 3.565 10 0 CHAERN CCCCSc1nnc(NC(=O)CC(C)(C)C)s1 ZINC000035563183 172264613 /nfs/dbraw/zinc/26/46/13/172264613.db2.gz BYDKFMUHOKNPEE-UHFFFAOYSA-N 0 0 287.454 3.805 10 0 CHAERN CCCN[C@@H](c1ccc(OCC)cc1)C(F)(F)F ZINC000035577509 172273406 /nfs/dbraw/zinc/27/34/06/172273406.db2.gz UHNQXMCDFWKUJE-LBPRGKRZSA-N 0 0 261.287 3.688 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N1CCCCCCC1 ZINC000035631506 172313448 /nfs/dbraw/zinc/31/34/48/172313448.db2.gz UKRBXGDOLIAQAJ-LBPRGKRZSA-N 0 0 251.345 3.650 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N(C)C1CCCCC1 ZINC000035631299 172313528 /nfs/dbraw/zinc/31/35/28/172313528.db2.gz CYBQAZWRWHKAJY-NSHDSACASA-N 0 0 251.345 3.648 10 0 CHAERN C[C@@H](Nc1nccc2sccc21)c1cccnc1 ZINC000035692253 172360485 /nfs/dbraw/zinc/36/04/85/172360485.db2.gz GXTOMOIGLOFOFF-SNVBAGLBSA-N 0 0 255.346 3.864 10 0 CHAERN CN(Cc1ccsc1)c1ccc(N)c2cnccc21 ZINC000035718671 172373020 /nfs/dbraw/zinc/37/30/20/172373020.db2.gz BTZGJXRKYKPMFC-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN C[C@H](O)c1c(F)cccc1N(C)Cc1ccsc1 ZINC000035719485 172373692 /nfs/dbraw/zinc/37/36/92/172373692.db2.gz ZFWYWIZZLWFBHP-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN CCN(c1cccc(F)c1[C@H](C)O)C1CCCC1 ZINC000035772925 172408706 /nfs/dbraw/zinc/40/87/06/172408706.db2.gz HFCXBRUFABFBHS-NSHDSACASA-N 0 0 251.345 3.648 10 0 CHAERN COc1cc(OC)cc(Oc2ccc(F)cc2[C@@H](C)O)c1 ZINC000036205368 172516229 /nfs/dbraw/zinc/51/62/29/172516229.db2.gz PVIDIJWFRSMITR-SNVBAGLBSA-N 0 0 292.306 3.689 10 0 CHAERN CCCCSCCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000036332950 172616979 /nfs/dbraw/zinc/61/69/79/172616979.db2.gz QTUGXPYMRBXRHV-UHFFFAOYSA-N 0 0 286.828 3.784 10 0 CHAERN CCCCS[C@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000036332894 172617142 /nfs/dbraw/zinc/61/71/42/172617142.db2.gz AGZJZSYPPKHCCY-SECBINFHSA-N 0 0 286.828 3.783 10 0 CHAERN CN(c1ccccc1)c1cc(Br)ccc1CO ZINC000036670768 172648232 /nfs/dbraw/zinc/64/82/32/172648232.db2.gz PKQRYXFSRMQCTF-UHFFFAOYSA-N 0 0 292.176 3.709 10 0 CHAERN CC(C)(C)c1noc(N)c1-c1cccc(Br)c1 ZINC000036766040 172684262 /nfs/dbraw/zinc/68/42/62/172684262.db2.gz QHQANWFGFNFGPW-UHFFFAOYSA-N 0 0 295.180 3.984 10 0 CHAERN Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)s1 ZINC000036894366 172787146 /nfs/dbraw/zinc/78/71/46/172787146.db2.gz MYVCPOYBCKCFQS-UHFFFAOYSA-N 0 0 268.341 3.722 10 0 CHAERN Nc1onc(C(F)(F)F)c1-c1c(F)cccc1Cl ZINC000036936505 172815773 /nfs/dbraw/zinc/81/57/73/172815773.db2.gz QQOYHHWZWNMOCD-UHFFFAOYSA-N 0 0 280.608 3.735 10 0 CHAERN CCc1ccc(C(=O)c2cc(F)cc(F)c2)s1 ZINC000036942963 172819071 /nfs/dbraw/zinc/81/90/71/172819071.db2.gz LUVBOZAJXPCEJU-UHFFFAOYSA-N 0 0 252.285 3.820 10 0 CHAERN CC[C@@H](C)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC ZINC000037055205 172923269 /nfs/dbraw/zinc/92/32/69/172923269.db2.gz XITGPLJAHXHAGC-GHMZBOCLSA-N 0 0 264.369 3.500 10 0 CHAERN CCOc1nc(Nc2cccc(Cl)c2F)ccc1N ZINC000037067964 172930500 /nfs/dbraw/zinc/93/05/00/172930500.db2.gz VVOTVSPSAVDYPX-UHFFFAOYSA-N 0 0 281.718 3.599 10 0 CHAERN Nc1cnccc1SCc1ccccc1C(F)(F)F ZINC000037182763 173015152 /nfs/dbraw/zinc/01/51/52/173015152.db2.gz RYPYQNPSCMCQIL-UHFFFAOYSA-N 0 0 284.306 3.975 10 0 CHAERN Cc1ccc(SCc2nnc(C(C)(C)C)o2)c(N)c1 ZINC000037192712 173021738 /nfs/dbraw/zinc/02/17/38/173021738.db2.gz SAFXHCFYDKNPFW-UHFFFAOYSA-N 0 0 277.393 3.550 10 0 CHAERN Nc1ccc(SCc2ccc(Br)cc2)cn1 ZINC000037192619 173021935 /nfs/dbraw/zinc/02/19/35/173021935.db2.gz HIXCQVJSWTUATD-UHFFFAOYSA-N 0 0 295.205 3.719 10 0 CHAERN CO[C@@H]1CCCC[C@H]1Nc1ccc(OC(C)C)cc1 ZINC000037246734 173060383 /nfs/dbraw/zinc/06/03/83/173060383.db2.gz LZJKVTJXGQKTLV-HZPDHXFCSA-N 0 0 263.381 3.843 10 0 CHAERN CC[C@H](Nc1c(C)n[nH]c1C)c1ccccc1OC ZINC000037261580 173071155 /nfs/dbraw/zinc/07/11/55/173071155.db2.gz OJZQCNBFXYNIIU-ZDUSSCGKSA-N 0 0 259.353 3.598 10 0 CHAERN Cc1ncsc1[C@H](C)Nc1ccc(N(C)C)cc1C ZINC000037274246 173086618 /nfs/dbraw/zinc/08/66/18/173086618.db2.gz JQUDLYKDVDUASP-LBPRGKRZSA-N 0 0 275.421 3.999 10 0 CHAERN CCCC[C@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000037279447 173089383 /nfs/dbraw/zinc/08/93/83/173089383.db2.gz HCJZOTKJLARMGL-JTQLQIEISA-N 0 0 291.363 3.674 10 0 CHAERN CC[C@H](Nc1cc(C(=O)N(C)C)ccc1C)C(C)C ZINC000037292952 173097801 /nfs/dbraw/zinc/09/78/01/173097801.db2.gz BHUIESYUYXIXHZ-AWEZNQCLSA-N 0 0 262.397 3.543 10 0 CHAERN COC(=O)c1ccc(NC[C@@H](C)c2ccccc2)cc1 ZINC000037307533 173110617 /nfs/dbraw/zinc/11/06/17/173110617.db2.gz HTIZPHQLWOOWJJ-CYBMUJFWSA-N 0 0 269.344 3.689 10 0 CHAERN Cc1ccc(C)c(-c2nn(CC(C)C)cc2C=O)c1 ZINC000037327380 173128124 /nfs/dbraw/zinc/12/81/24/173128124.db2.gz YCOQIQMEZFZTMU-UHFFFAOYSA-N 0 0 256.349 3.635 10 0 CHAERN CCC(C)(C)Oc1ccc(C(F)(F)F)cc1C(N)=S ZINC000037334538 173134973 /nfs/dbraw/zinc/13/49/73/173134973.db2.gz DAZXUNHYNAUNSO-UHFFFAOYSA-N 0 0 291.338 3.907 10 0 CHAERN CCOc1ccc(C(=O)c2c(F)cccc2F)cc1 ZINC000037358261 173147526 /nfs/dbraw/zinc/14/75/26/173147526.db2.gz DUSHUQMBRLKDAI-UHFFFAOYSA-N 0 0 262.255 3.595 10 0 CHAERN C[C@H]1CCC[C@H](Oc2ccc3ncccc3c2N)C1 ZINC000037378656 173167067 /nfs/dbraw/zinc/16/70/67/173167067.db2.gz RJUSUMQQHGPPTM-RYUDHWBXSA-N 0 0 256.349 3.775 10 0 CHAERN Fc1cc(F)c(NCc2ccccn2)c(Br)c1 ZINC000037392657 173173954 /nfs/dbraw/zinc/17/39/54/173173954.db2.gz MWYWDHPDQFDURR-UHFFFAOYSA-N 0 0 299.118 3.734 10 0 CHAERN CCCSc1ccc(N)c(NC(=O)C(C)(C)C)c1 ZINC000037408898 173185355 /nfs/dbraw/zinc/18/53/55/173185355.db2.gz RXQVZDNIUVGGEL-UHFFFAOYSA-N 0 0 266.410 3.756 10 0 CHAERN CCC(CC)N(C)c1ccc(C(F)(F)F)cc1N ZINC000037504821 173239813 /nfs/dbraw/zinc/23/98/13/173239813.db2.gz YQRFYJFSUYHGSN-UHFFFAOYSA-N 0 0 260.303 3.912 10 0 CHAERN CCCN[C@@H](C(=O)OCC)c1cc(Cl)cc(Cl)c1 ZINC000037513633 173244989 /nfs/dbraw/zinc/24/49/89/173244989.db2.gz DNWILRMPTHUUDS-GFCCVEGCSA-N 0 0 290.190 3.597 10 0 CHAERN C[C@](O)(Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037530558 173252872 /nfs/dbraw/zinc/25/28/72/173252872.db2.gz KXPBJSUMQXFFHW-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN C[C@@](O)(Cc1ccc(Cl)cc1)c1ccccc1F ZINC000037530710 173252877 /nfs/dbraw/zinc/25/28/77/173252877.db2.gz GSKAQLDJXLEUAG-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000037532687 173253893 /nfs/dbraw/zinc/25/38/93/173253893.db2.gz XYBDGABKGOSQTI-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1)Cc1ccccc1F ZINC000037532651 173253964 /nfs/dbraw/zinc/25/39/64/173253964.db2.gz OJAWHGQRFWMVQZ-CQSZACIVSA-N 0 0 264.727 3.625 10 0 CHAERN COCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000037753633 173677666 /nfs/dbraw/zinc/67/76/66/173677666.db2.gz CDQBIYPYQWOWKL-UHFFFAOYSA-N 0 0 267.678 3.807 10 0 CHAERN CCCn1cc(N[C@H](CC)C[C@@H](C)CC)ccc1=O ZINC000037774691 173706945 /nfs/dbraw/zinc/70/69/45/173706945.db2.gz OJJPRHINBHCLSW-UONOGXRCSA-N 0 0 264.413 3.885 10 0 CHAERN c1ccc(CNc2cccc(N3CCCC3)c2)cc1 ZINC000037775212 173707433 /nfs/dbraw/zinc/70/74/33/173707433.db2.gz AIQDPRZJYHDDNA-UHFFFAOYSA-N 0 0 252.361 3.899 10 0 CHAERN CCCCCCNc1ccc(Cl)c(C(=O)NC)c1 ZINC000037778818 173709726 /nfs/dbraw/zinc/70/97/26/173709726.db2.gz DDDLQHQBWHIQSC-UHFFFAOYSA-N 0 0 268.788 3.692 10 0 CHAERN C[C@](Nc1cccc(Cl)c1)(C(N)=O)C1CCCCC1 ZINC000037942614 173882673 /nfs/dbraw/zinc/88/26/73/173882673.db2.gz FAYUWLFLSLISMB-OAHLLOKOSA-N 0 0 280.799 3.576 10 0 CHAERN CC[C@H](C)C[C@@](CC)(Nc1ccc(Cl)cc1)C(N)=O ZINC000037945141 173885691 /nfs/dbraw/zinc/88/56/91/173885691.db2.gz WNEPOWGLEJMDJQ-XHDPSFHLSA-N 0 0 282.815 3.822 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2C)CCC[C@@H](C)C1 ZINC000037954614 173896661 /nfs/dbraw/zinc/89/66/61/173896661.db2.gz QVUPQURZQARCJQ-WBMJQRKESA-N 0 0 261.365 3.529 10 0 CHAERN CCCC(CCC)(Nc1ccc(F)cc1)C(=O)OC ZINC000037956105 173897464 /nfs/dbraw/zinc/89/74/64/173897464.db2.gz VRNKRNJQFIUMFI-UHFFFAOYSA-N 0 0 267.344 3.750 10 0 CHAERN COC(=O)[C@H](Nc1cccc(C)c1)C1CCCCC1 ZINC000037958149 173900692 /nfs/dbraw/zinc/90/06/92/173900692.db2.gz UWIYVAMIIIRNNO-OAHLLOKOSA-N 0 0 261.365 3.529 10 0 CHAERN CCCC(CCC)(Nc1cccc(F)c1)C(=O)OC ZINC000037962013 173905098 /nfs/dbraw/zinc/90/50/98/173905098.db2.gz HHYPVACIFXGBQP-UHFFFAOYSA-N 0 0 267.344 3.750 10 0 CHAERN COC(=O)[C@@]1(Nc2ccc(Cl)cc2)CCCC[C@H]1C ZINC000037962458 173905482 /nfs/dbraw/zinc/90/54/82/173905482.db2.gz WQFMTCSPWRSVAK-IAQYHMDHSA-N 0 0 281.783 3.874 10 0 CHAERN COC(=O)[C@H](Nc1ccc(Cl)cc1)[C@@H]1CC=CCC1 ZINC000037962597 173905849 /nfs/dbraw/zinc/90/58/49/173905849.db2.gz BRHCXCYINJDJEK-BXUZGUMPSA-N 0 0 279.767 3.650 10 0 CHAERN CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000038028072 174015718 /nfs/dbraw/zinc/01/57/18/174015718.db2.gz YQRSWNFWWBJNRZ-INIZCTEOSA-N 0 0 275.392 3.639 10 0 CHAERN CCCOc1cccc(CNc2cccnc2OCC)c1 ZINC000038038312 174038529 /nfs/dbraw/zinc/03/85/29/174038529.db2.gz JTUGPFNUNSKFJU-UHFFFAOYSA-N 0 0 286.375 3.881 10 0 CHAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000038066002 174077320 /nfs/dbraw/zinc/07/73/20/174077320.db2.gz DRSDOEMXIOLIRK-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000038065994 174077735 /nfs/dbraw/zinc/07/77/35/174077735.db2.gz XXUNPHBZTWMLCH-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000038066826 174078158 /nfs/dbraw/zinc/07/81/58/174078158.db2.gz DNKIBMAMPUZYPB-PRHODGIISA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1cccc(Cl)c1 ZINC000038067734 174079942 /nfs/dbraw/zinc/07/99/42/174079942.db2.gz XGUMBNNNKXBJOC-ABAIWWIYSA-N 0 0 283.799 3.506 10 0 CHAERN Cc1cc(C)cc(C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000038077062 174087665 /nfs/dbraw/zinc/08/76/65/174087665.db2.gz JNOQZVJPADQXHL-KRWDZBQOSA-N 0 0 258.336 3.893 10 0 CHAERN O[C@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078270 174088159 /nfs/dbraw/zinc/08/81/59/174088159.db2.gz HYAKXGGBUDNTIF-MRXNPFEDSA-N 0 0 258.748 3.912 10 0 CHAERN FC(F)(F)c1ccc(Oc2cncc(Cl)n2)cc1 ZINC000038082169 174091169 /nfs/dbraw/zinc/09/11/69/174091169.db2.gz INQXUGIDWWJLSP-UHFFFAOYSA-N 0 0 274.629 3.941 10 0 CHAERN COc1ccc2c(c1)OC(C(F)(F)F)(C(F)(F)F)C=C2 ZINC000038259063 174137953 /nfs/dbraw/zinc/13/79/53/174137953.db2.gz GYBPYJKQJARMIY-UHFFFAOYSA-N 0 0 298.182 3.964 10 0 CHAERN CCOC(=N)[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000039135041 174164309 /nfs/dbraw/zinc/16/43/09/174164309.db2.gz WECDFGKANNKYNG-OAHLLOKOSA-N 0 0 271.316 3.526 10 0 CHAERN CC(=O)c1c(O)c2ccccc2n1Cc1ccccc1 ZINC000039240063 174166638 /nfs/dbraw/zinc/16/66/38/174166638.db2.gz RAZLYGXZKDEJDT-UHFFFAOYSA-N 0 0 265.312 3.598 10 0 CHAERN COc1ccc(Br)cc1-c1ccc(C=O)s1 ZINC000039927890 174175021 /nfs/dbraw/zinc/17/50/21/174175021.db2.gz XMMLBMDSHJSCOT-UHFFFAOYSA-N 0 0 297.173 3.999 10 0 CHAERN Cc1cccc(-c2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000040175828 174201337 /nfs/dbraw/zinc/20/13/37/174201337.db2.gz YQSXTOWZKOEXBB-UHFFFAOYSA-N 0 0 253.280 3.586 10 0 CHAERN O[C@H](c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000040242473 174213470 /nfs/dbraw/zinc/21/34/70/174213470.db2.gz UTQHDVYXHWEZDN-QGZVFWFLSA-N 0 0 256.320 3.786 10 0 CHAERN COc1ccc(Nc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000040379187 174250362 /nfs/dbraw/zinc/25/03/62/174250362.db2.gz ZOFOQSNFVIVZGY-UHFFFAOYSA-N 0 0 273.723 3.969 10 0 CHAERN COCCCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040402736 174253814 /nfs/dbraw/zinc/25/38/14/174253814.db2.gz KWDPHSHPJVLJRU-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN Cc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1 ZINC000040426688 174258704 /nfs/dbraw/zinc/25/87/04/174258704.db2.gz YKZUYTJKKDGTQO-UHFFFAOYSA-N 0 0 283.356 3.699 10 0 CHAERN CC(C)c1ccc(Nc2ncnc(N3CCCC3)c2N)cc1 ZINC000040705994 174379503 /nfs/dbraw/zinc/37/95/03/174379503.db2.gz BUKXHGIKPVXRPL-UHFFFAOYSA-N 0 0 297.406 3.526 10 0 CHAERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2N)c(C)c1 ZINC000040755548 174396307 /nfs/dbraw/zinc/39/63/07/174396307.db2.gz XLIWWKLKVHRQRA-UHFFFAOYSA-N 0 0 297.406 3.774 10 0 CHAERN Cc1cccc(Nc2ncnc(NC3CCCC3)c2N)c1C ZINC000040755246 174396569 /nfs/dbraw/zinc/39/65/69/174396569.db2.gz YPNZYCSDBBQXNN-UHFFFAOYSA-N 0 0 297.406 3.774 10 0 CHAERN COc1cccc(C[C@@H](O)c2ccccc2Cl)c1 ZINC000040907559 174431219 /nfs/dbraw/zinc/43/12/19/174431219.db2.gz OVXQMCJIZWCKHD-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN COC(=O)c1ccc(Oc2ccc(Cl)c(C)c2)c(N)c1 ZINC000041079802 174473434 /nfs/dbraw/zinc/47/34/34/174473434.db2.gz XZHNVKLUBOSEEF-UHFFFAOYSA-N 0 0 291.734 3.810 10 0 CHAERN O[C@H](Cc1ccccc1F)c1ccccc1Cl ZINC000041307750 174516433 /nfs/dbraw/zinc/51/64/33/174516433.db2.gz AQIXVFWUVLUFKP-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000041307744 174516598 /nfs/dbraw/zinc/51/65/98/174516598.db2.gz NRXPVCCREQROLS-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN CCCCc1noc(N)c1-c1ccccc1Cl ZINC000041307814 174516665 /nfs/dbraw/zinc/51/66/65/174516665.db2.gz ROKJUDWSYTYFMH-UHFFFAOYSA-N 0 0 250.729 3.920 10 0 CHAERN CCc1ccc(COc2ccc([C@@H](C)O)cc2)cc1 ZINC000041326750 174523162 /nfs/dbraw/zinc/52/31/62/174523162.db2.gz OTVNNVNTHDNOCA-CYBMUJFWSA-N 0 0 256.345 3.881 10 0 CHAERN CC(C)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1 ZINC000041328586 174524968 /nfs/dbraw/zinc/52/49/68/174524968.db2.gz VECXIZXBQTWYBQ-UHFFFAOYSA-N 0 0 257.381 3.875 10 0 CHAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccc(C)cc2)cc1 ZINC000041356703 174534348 /nfs/dbraw/zinc/53/43/48/174534348.db2.gz HWUPMLAUINZUQJ-UHFFFAOYSA-N 0 0 263.344 3.943 10 0 CHAERN COc1ccc(C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000041436377 174552631 /nfs/dbraw/zinc/55/26/31/174552631.db2.gz PZXZZEZBRMAEMS-AWEZNQCLSA-N 0 0 280.726 3.764 10 0 CHAERN COc1ccc(C)cc1C[C@@H](CO)Cc1ccc(F)cc1 ZINC000041464725 174556896 /nfs/dbraw/zinc/55/68/96/174556896.db2.gz FDRVCASOMIYOBX-HNNXBMFYSA-N 0 0 288.362 3.536 10 0 CHAERN CCCC1N=NC(=S)N1C1CCC(CC)CC1 ZINC000042581358 174805699 /nfs/dbraw/zinc/80/56/99/174805699.db2.gz JLEACGBHRXJJKQ-UHFFFAOYSA-N 0 0 253.415 3.661 10 0 CHAERN CCOC(=O)C(=O)c1ccc(C(C)C)cc1C(C)C ZINC000042898726 174904855 /nfs/dbraw/zinc/90/48/55/174904855.db2.gz MJEJVLMPSDZKAH-UHFFFAOYSA-N 0 0 262.349 3.679 10 0 CHAERN COC(=O)c1cccc(NCc2cccc(C)c2C)c1 ZINC000043304835 175003576 /nfs/dbraw/zinc/00/35/76/175003576.db2.gz ZXGJARGOSWGJGC-UHFFFAOYSA-N 0 0 269.344 3.702 10 0 CHAERN CCCc1c(=O)c2ccccc2oc1C(F)(F)F ZINC000043464955 175052616 /nfs/dbraw/zinc/05/26/16/175052616.db2.gz ZEJJXBYPFDMVKA-UHFFFAOYSA-N 0 0 256.223 3.764 10 0 CHAERN COc1ccc(NCc2ccc(O)c(Cl)c2)cc1OC ZINC000043476731 175054480 /nfs/dbraw/zinc/05/44/80/175054480.db2.gz NXWLNXUJGNFZSS-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN CCC[C@H](O)CCc1ccc(F)cc1Br ZINC000043657378 175085925 /nfs/dbraw/zinc/08/59/25/175085925.db2.gz UKXJOXUCENXDFS-NSHDSACASA-N 0 0 275.161 3.682 10 0 CHAERN CSc1ccc([C@@H](C)n2nc(C)c(Cl)c2N)cc1 ZINC000043667807 175086822 /nfs/dbraw/zinc/08/68/22/175086822.db2.gz IORQIJKILLVLKZ-SECBINFHSA-N 0 0 281.812 3.758 10 0 CHAERN Cc1nn([C@@H](C)c2ccc(Cl)s2)c(N)c1Cl ZINC000043667899 175086972 /nfs/dbraw/zinc/08/69/72/175086972.db2.gz YGQFFIATQGKIIR-LURJTMIESA-N 0 0 276.192 3.751 10 0 CHAERN Cc1ccc(OCc2sccc2Br)c(N)c1 ZINC000043674204 175087986 /nfs/dbraw/zinc/08/79/86/175087986.db2.gz AGNRXKKGYLCHJM-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN FC(F)(F)COCc1cc(Br)cs1 ZINC000043687510 175094870 /nfs/dbraw/zinc/09/48/70/175094870.db2.gz CVOCWRDIUGBUDL-UHFFFAOYSA-N 0 0 275.089 3.590 10 0 CHAERN Clc1cc(-c2ccc(Br)nc2)ccn1 ZINC000044121311 175142692 /nfs/dbraw/zinc/14/26/92/175142692.db2.gz SZAXEAMVNPQCDF-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN COc1cccc(-c2cccc(Br)n2)c1 ZINC000044120219 175142951 /nfs/dbraw/zinc/14/29/51/175142951.db2.gz QUMLOWLTXKIANY-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN CCc1ccc([C@H](O)CN2c3ccccc3C[C@@H]2C)cc1 ZINC000044123281 175143316 /nfs/dbraw/zinc/14/33/16/175143316.db2.gz PVGPKFKHWYHEHL-IFXJQAMLSA-N 0 0 281.399 3.734 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccccc1N ZINC000044135421 175145254 /nfs/dbraw/zinc/14/52/54/175145254.db2.gz ZIHRQZAEHOXHQL-AWEZNQCLSA-N 0 0 276.380 3.731 10 0 CHAERN Clc1nc2ccn(Cc3ccccc3)c2c(Cl)n1 ZINC000045195595 175326715 /nfs/dbraw/zinc/32/67/15/175326715.db2.gz NFNHWZVKVVHLFG-UHFFFAOYSA-N 0 0 278.142 3.786 10 0 CHAERN CC(C)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 ZINC000045348177 175361561 /nfs/dbraw/zinc/36/15/61/175361561.db2.gz HXRDPRMNITUMNC-ZDUSSCGKSA-N 0 0 267.800 3.994 10 0 CHAERN CCc1cc(=S)[nH]c(-c2ccc(Cl)cc2)n1 ZINC000045956319 175388903 /nfs/dbraw/zinc/38/89/03/175388903.db2.gz PRFCOQHKSVAAEN-UHFFFAOYSA-N 0 0 250.754 3.648 10 0 CHAERN Cc1ccc(Cl)c(OCC(=O)c2ccco2)c1 ZINC000047819840 175413628 /nfs/dbraw/zinc/41/36/28/175413628.db2.gz IABPACCNUHHYLQ-UHFFFAOYSA-N 0 0 250.681 3.503 10 0 CHAERN O=C(COc1c(Cl)cccc1Cl)c1ccco1 ZINC000048403153 175432095 /nfs/dbraw/zinc/43/20/95/175432095.db2.gz YBMXXYILYPMALJ-UHFFFAOYSA-N 0 0 271.099 3.848 10 0 CHAERN Cc1ccc(F)c(Nc2nc3c(c(Cl)n2)CCC3)c1 ZINC000057343368 175593229 /nfs/dbraw/zinc/59/32/29/175593229.db2.gz VIVSRACLQNXSIB-UHFFFAOYSA-N 0 0 277.730 3.810 10 0 CHAERN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCS1 ZINC000171579884 335071864 /nfs/dbraw/zinc/07/18/64/335071864.db2.gz FYLUSLQFRIEUIM-AWEZNQCLSA-N 0 0 297.423 3.931 10 0 CHAERN CCc1nc2cc(-c3noc(-c4cccnc4)n3)ccc2o1 ZINC000065149730 175701305 /nfs/dbraw/zinc/70/13/05/175701305.db2.gz BYAFFZFVRQRZSM-UHFFFAOYSA-N 0 0 292.298 3.502 10 0 CHAERN COC(=O)c1ccc(Cl)c(-c2ccc(C)c(O)c2)c1 ZINC000065340607 175710217 /nfs/dbraw/zinc/71/02/17/175710217.db2.gz YUKGIJRSSUDVIK-UHFFFAOYSA-N 0 0 276.719 3.808 10 0 CHAERN COc1ccc(-c2cc(O)cc(F)c2)cc1Cl ZINC000065341049 175710825 /nfs/dbraw/zinc/71/08/25/175710825.db2.gz SYWGZDYQCCNFRS-UHFFFAOYSA-N 0 0 252.672 3.860 10 0 CHAERN COc1ccc(Cl)c(-c2ccc(O)cc2F)c1 ZINC000065341044 175710848 /nfs/dbraw/zinc/71/08/48/175710848.db2.gz FZVLCLDJSMBTAT-UHFFFAOYSA-N 0 0 252.672 3.860 10 0 CHAERN Cc1c(C)c(NCCc2cccc(F)c2)nnc1Cl ZINC000071171332 176051627 /nfs/dbraw/zinc/05/16/27/176051627.db2.gz AIMRTGPGROFHEV-UHFFFAOYSA-N 0 0 279.746 3.541 10 0 CHAERN Cc1ncsc1Cn1c2cc(F)ccc2[nH]c1=S ZINC000071213342 176085070 /nfs/dbraw/zinc/08/50/70/176085070.db2.gz KKHHGIYMDOUFMU-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN CCc1csc(Nc2ccc3c(c2)CCCN3)n1 ZINC000071214919 176086177 /nfs/dbraw/zinc/08/61/77/176086177.db2.gz KRRVXQUXBVNPMT-UHFFFAOYSA-N 0 0 259.378 3.807 10 0 CHAERN CCCCCOc1ccc(CO)cc1C(F)(F)F ZINC000071399207 176152093 /nfs/dbraw/zinc/15/20/93/176152093.db2.gz WBLMBZHGUWNBIC-UHFFFAOYSA-N 0 0 262.271 3.767 10 0 CHAERN Cc1cc(C)c([C@@H](C)Nc2cnccc2C)c(C)n1 ZINC000071413819 176159170 /nfs/dbraw/zinc/15/91/70/176159170.db2.gz RYQNWGDEWMLHIY-CQSZACIVSA-N 0 0 255.365 3.883 10 0 CHAERN Clc1ccc(Nc2ncc(Br)cn2)cc1 ZINC000071641772 176238897 /nfs/dbraw/zinc/23/88/97/176238897.db2.gz DZNURYIGHVHTAV-UHFFFAOYSA-N 0 0 284.544 3.636 10 0 CHAERN Clc1ccc(-n2nccc2-c2nccs2)cc1 ZINC000072190512 176336288 /nfs/dbraw/zinc/33/62/88/176336288.db2.gz QQPYYNOENKAXKU-UHFFFAOYSA-N 0 0 261.737 3.649 10 0 CHAERN Clc1ccccc1-n1nccc1-c1nccs1 ZINC000072190510 176336392 /nfs/dbraw/zinc/33/63/92/176336392.db2.gz CLXAMPGWYYSROR-UHFFFAOYSA-N 0 0 261.737 3.649 10 0 CHAERN Brc1nc(-c2ccco2)nc2ccccc12 ZINC000072192240 176336581 /nfs/dbraw/zinc/33/65/81/176336581.db2.gz CHDRVVQKSSBAPK-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN Fc1cccc(-c2scnc2Br)c1 ZINC000072192331 176336843 /nfs/dbraw/zinc/33/68/43/176336843.db2.gz YQLGNMNEJGKNKT-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN N[C@@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC000072195870 176338045 /nfs/dbraw/zinc/33/80/45/176338045.db2.gz KAQAZJKQXCBYKW-ZETCQYMHSA-N 0 0 288.494 3.665 10 0 CHAERN N[C@@H](c1cc(Br)ccc1Cl)C(F)(F)F ZINC000072195866 176338167 /nfs/dbraw/zinc/33/81/67/176338167.db2.gz FFUJBRHMBSGAFY-ZETCQYMHSA-N 0 0 288.494 3.665 10 0 CHAERN N[C@H](c1cc(Br)ccc1Cl)C(F)(F)F ZINC000072195865 176338193 /nfs/dbraw/zinc/33/81/93/176338193.db2.gz FFUJBRHMBSGAFY-SSDOTTSWSA-N 0 0 288.494 3.665 10 0 CHAERN Clc1ccc(-c2ccc(Br)cn2)nc1 ZINC000072204247 176341859 /nfs/dbraw/zinc/34/18/59/176341859.db2.gz RTLGNVIHHSFJEU-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN COc1ccc(-c2cc(Br)ccn2)cc1 ZINC000072204591 176342291 /nfs/dbraw/zinc/34/22/91/176342291.db2.gz VJUBLMQDYHMZRA-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN CC(C)=C[C@](F)(Cl)C(F)(F)Br ZINC000072265617 176352017 /nfs/dbraw/zinc/35/20/17/176352017.db2.gz FUDNWUASIXXSGZ-RXMQYKEDSA-N 0 0 251.473 3.845 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000073656936 176484017 /nfs/dbraw/zinc/48/40/17/176484017.db2.gz BYMFPGDPJDOKBL-UKRRQHHQSA-N 0 0 290.407 3.887 10 0 CHAERN COc1ccc(C(=O)c2cc(Cl)ccc2N)c(Cl)c1 ZINC000075835415 176802149 /nfs/dbraw/zinc/80/21/49/176802149.db2.gz VGRFSQANEDLDST-UHFFFAOYSA-N 0 0 296.153 3.815 10 0 CHAERN COc1ccc2c(c1)[nH]c(=S)n2-c1ccccc1 ZINC000075953294 176843640 /nfs/dbraw/zinc/84/36/40/176843640.db2.gz WXVMXICKONHFHF-UHFFFAOYSA-N 0 0 256.330 3.697 10 0 CHAERN CC(C)(C)[C@H](O)CNc1cc2ccccc2c(Cl)n1 ZINC000078669946 177368879 /nfs/dbraw/zinc/36/88/79/177368879.db2.gz YLJNVAUXUIUTTF-GFCCVEGCSA-N 0 0 278.783 3.707 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[C@H]32)c1 ZINC000336366294 226939084 /nfs/dbraw/zinc/93/90/84/226939084.db2.gz UZLWNARXLBWDRP-GXFFZTMASA-N 0 0 264.756 3.665 10 0 CHAERN CC(C)c1nnc(CSc2ccnc3ccccc32)n1C ZINC000171787013 335080066 /nfs/dbraw/zinc/08/00/66/335080066.db2.gz OTLSELNQLMLKPJ-UHFFFAOYSA-N 0 0 298.415 3.779 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@H]3CCCC(=O)N3)n2)C[C@@H](C)C1 ZINC000329598803 227631895 /nfs/dbraw/zinc/63/18/95/227631895.db2.gz PSRFPNJHOLIOKD-NOOOWODRSA-N 0 0 277.368 3.791 10 0 CHAERN COc1ccnc(N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000301587680 227599577 /nfs/dbraw/zinc/59/95/77/227599577.db2.gz WHDLHHLOSDOQGE-GFCCVEGCSA-N 0 0 277.393 3.746 10 0 CHAERN CCc1ocnc1-c1nc(C2C[C@@H](C)C[C@H](C)C2)no1 ZINC000329710548 227909741 /nfs/dbraw/zinc/90/97/41/227909741.db2.gz MIBYYNVNOOGINN-UWVGGRQHSA-N 0 0 275.352 3.827 10 0 CHAERN C[C@H]1CC(c2noc([C@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)C[C@H](C)C1 ZINC000333468753 228201550 /nfs/dbraw/zinc/20/15/50/228201550.db2.gz ANUWAUILYZBOCJ-BLUODKFWSA-N 0 0 288.391 3.692 10 0 CHAERN O=C(N[C@H]1CC=CCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000179549861 260054880 /nfs/dbraw/zinc/05/48/80/260054880.db2.gz GTCCRIJCTFRYTI-HOCLYGCPSA-N 0 0 288.366 3.611 10 0 CHAERN Cc1ccc(F)c(N[C@@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000037245724 260077994 /nfs/dbraw/zinc/07/79/94/260077994.db2.gz FYWKKCNRYJUDQO-CQSZACIVSA-N 0 0 284.334 3.654 10 0 CHAERN COc1ccccc1NC(=O)C1(C)CCCCCC1 ZINC000180201712 260095404 /nfs/dbraw/zinc/09/54/04/260095404.db2.gz NREFJGNOSFSOHA-UHFFFAOYSA-N 0 0 261.365 3.994 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(CC(F)F)C2CC2)CC(C)(C)C1 ZINC000180279297 260097990 /nfs/dbraw/zinc/09/79/90/260097990.db2.gz CUVBYUNKLSGLJT-WDEREUQCSA-N 0 0 273.367 3.705 10 0 CHAERN Cc1sc2nc(C)nc(N[C@H](C)[C@H]3CCCO3)c2c1C ZINC000312552095 260147970 /nfs/dbraw/zinc/14/79/70/260147970.db2.gz XMHWANYGWNNWBS-BXKDBHETSA-N 0 0 291.420 3.596 10 0 CHAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1nccs1 ZINC000086509619 260208282 /nfs/dbraw/zinc/20/82/82/260208282.db2.gz FZBVSSGHYFJYGL-LLVKDONJSA-N 0 0 270.361 3.502 10 0 CHAERN CC1CCC(CNc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000089575608 260237676 /nfs/dbraw/zinc/23/76/76/260237676.db2.gz GZQXBUJCBCGBGH-UHFFFAOYSA-N 0 0 286.419 3.817 10 0 CHAERN CCCn1ccc(CNc2cccc(-n3ccnc3)c2)c1 ZINC000091010417 260264494 /nfs/dbraw/zinc/26/44/94/260264494.db2.gz PIPJGXXTZVDAHN-UHFFFAOYSA-N 0 0 280.375 3.696 10 0 CHAERN CCCn1ccc(CNc2ccc(NC(=O)CC)cc2)c1 ZINC000091011299 260264743 /nfs/dbraw/zinc/26/47/43/260264743.db2.gz DTZYIBJWFPRMTN-UHFFFAOYSA-N 0 0 285.391 3.859 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000408161709 260334628 /nfs/dbraw/zinc/33/46/28/260334628.db2.gz PAPWFJKVIBLNKM-WXHSDQCUSA-N 0 0 278.396 3.623 10 0 CHAERN CC(C)c1nc(CN2CCCc3c(N)cccc32)cs1 ZINC000049277389 260659399 /nfs/dbraw/zinc/65/93/99/260659399.db2.gz OVNOENNZNUIXBJ-UHFFFAOYSA-N 0 0 287.432 3.802 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)o1 ZINC000128872938 260826011 /nfs/dbraw/zinc/82/60/11/260826011.db2.gz OUAMAVPAKDVMDS-GHMZBOCLSA-N 0 0 293.313 3.847 10 0 CHAERN CC(C)Cn1cc(NC(=O)N2CCCCC(C)(C)C2)cn1 ZINC000408443729 260868433 /nfs/dbraw/zinc/86/84/33/260868433.db2.gz QYJUMLHPVPMAGE-UHFFFAOYSA-N 0 0 292.427 3.583 10 0 CHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1CCC1 ZINC000151688564 261054451 /nfs/dbraw/zinc/05/44/51/261054451.db2.gz IJNDGQWOIBNBFA-OAHLLOKOSA-N 0 0 285.387 3.739 10 0 CHAERN CC(C)[C@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000154442774 261091572 /nfs/dbraw/zinc/09/15/72/261091572.db2.gz QHKQQBNWMUXDQB-QWRGUYRKSA-N 0 0 269.335 3.619 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccsc2)o1 ZINC000157224566 261142373 /nfs/dbraw/zinc/14/23/73/261142373.db2.gz RHIYWSDZPXGPDP-SECBINFHSA-N 0 0 250.323 3.532 10 0 CHAERN Cc1ccc(CSCc2nnc(C3CC3)n2C)cc1C ZINC000158927061 261174286 /nfs/dbraw/zinc/17/42/86/261174286.db2.gz CHJADQCSSGPMEW-UHFFFAOYSA-N 0 0 287.432 3.743 10 0 CHAERN C[C@@H]1COc2ccccc2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000175371945 261223905 /nfs/dbraw/zinc/22/39/05/261223905.db2.gz PDYNFYGZLQGYAV-GFCCVEGCSA-N 0 0 292.338 3.596 10 0 CHAERN Cc1sc(-c2ccco2)nc1C(=O)N1CCCC1(C)C ZINC000102918813 261272373 /nfs/dbraw/zinc/27/23/73/261272373.db2.gz UZXUKGCTJOLPRG-UHFFFAOYSA-N 0 0 290.388 3.726 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000176338757 261277204 /nfs/dbraw/zinc/27/72/04/261277204.db2.gz FXEZSSRIKZIEGG-MAZHCROVSA-N 0 0 272.392 3.558 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)C(C1CC1)C1CC1 ZINC000162822542 261295551 /nfs/dbraw/zinc/29/55/51/261295551.db2.gz UDCQEUCNUICPQP-LBPRGKRZSA-N 0 0 257.377 3.608 10 0 CHAERN CC1(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000176635180 261300550 /nfs/dbraw/zinc/30/05/50/261300550.db2.gz QGEOFLLJQFUJTK-WDEREUQCSA-N 0 0 292.345 3.597 10 0 CHAERN Cc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1F ZINC000105414392 261310528 /nfs/dbraw/zinc/31/05/28/261310528.db2.gz LQEUUHOLHPKLFX-KRWDZBQOSA-N 0 0 296.345 3.863 10 0 CHAERN c1cc(-c2noc(CSC3CCCCC3)n2)co1 ZINC000105571879 261312514 /nfs/dbraw/zinc/31/25/14/261312514.db2.gz IIGJQWDNUSGVLB-UHFFFAOYSA-N 0 0 264.350 3.896 10 0 CHAERN Fc1ccc(NCc2nc(-c3ccoc3)no2)cc1Cl ZINC000105606222 261313273 /nfs/dbraw/zinc/31/32/73/261313273.db2.gz ACSCBEKRCWHACK-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN COc1ccsc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000105942147 261318354 /nfs/dbraw/zinc/31/83/54/261318354.db2.gz AQIDJXVIEQSZCX-MRVPVSSYSA-N 0 0 297.326 3.526 10 0 CHAERN CC[C@H](NC(=O)c1ccc(C)cc1Br)C(C)C ZINC000163739564 261327128 /nfs/dbraw/zinc/32/71/28/261327128.db2.gz UQSAVOXQSLWVLX-ZDUSSCGKSA-N 0 0 298.224 3.922 10 0 CHAERN CS[C@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302526093 261353404 /nfs/dbraw/zinc/35/34/04/261353404.db2.gz BLZVFNROBRFKFV-SCZZXKLOSA-N 0 0 292.326 3.676 10 0 CHAERN CC[C@H](N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624204 261356213 /nfs/dbraw/zinc/35/62/13/261356213.db2.gz HKUPWYPCJMLEBS-UONOGXRCSA-N 0 0 290.798 3.507 10 0 CHAERN CCCCCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176132446 261640426 /nfs/dbraw/zinc/64/04/26/261640426.db2.gz HOGHDYRLUVCGFN-CYBMUJFWSA-N 0 0 295.452 3.960 10 0 CHAERN CC(C)n1ccnc1C[S@@](=O)[C@@H](C)c1ccccc1F ZINC000177114454 261686779 /nfs/dbraw/zinc/68/67/79/261686779.db2.gz QANAFGIUDDUMNI-FKIZINRSSA-N 0 0 294.395 3.613 10 0 CHAERN CC(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000180970483 261880990 /nfs/dbraw/zinc/88/09/90/261880990.db2.gz DEEXNYXHGARRSE-NWDGAFQWSA-N 0 0 286.297 3.817 10 0 CHAERN C[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000183509782 261977868 /nfs/dbraw/zinc/97/78/68/261977868.db2.gz LHDFXEMTIISUFR-JHJVBQTASA-N 0 0 294.464 3.825 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C(C)C)o1 ZINC000185507914 262057724 /nfs/dbraw/zinc/05/77/24/262057724.db2.gz IKSZJODXWWYZLX-KFWWJZLASA-N 0 0 275.392 3.934 10 0 CHAERN CCc1csc(N[C@H](C)c2csc(C)n2)n1 ZINC000309936911 262057747 /nfs/dbraw/zinc/05/77/47/262057747.db2.gz AIPAEEDVGHAMNZ-SSDOTTSWSA-N 0 0 253.396 3.644 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(C)cc2C)C12CCOCC2 ZINC000186473260 262094829 /nfs/dbraw/zinc/09/48/29/262094829.db2.gz UNUKJAAGLDRKLU-SJORKVTESA-N 0 0 289.419 3.690 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000188420195 262295785 /nfs/dbraw/zinc/29/57/85/262295785.db2.gz SMBYGMLQPCBMIC-CVEARBPZSA-N 0 0 293.451 3.765 10 0 CHAERN C[C@@H](NC(=O)c1ccc(F)cn1)c1ccc(F)c(Cl)c1 ZINC000182387259 262556577 /nfs/dbraw/zinc/55/65/77/262556577.db2.gz LLACGBNTCYSKPX-MRVPVSSYSA-N 0 0 296.704 3.504 10 0 CHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)C(C)C ZINC000187725681 263266949 /nfs/dbraw/zinc/26/69/49/263266949.db2.gz CQCUMRHHVCAWHF-CYBMUJFWSA-N 0 0 287.407 3.744 10 0 CHAERN Cc1cc(C(=O)N2CCC23CCCCC3)ccc1F ZINC000366774837 263424655 /nfs/dbraw/zinc/42/46/55/263424655.db2.gz JULBDFRYSUQIFR-UHFFFAOYSA-N 0 0 261.340 3.683 10 0 CHAERN C[C@@H](CC1CCCC1)C(=O)N1CCCc2c(N)cccc21 ZINC000126760943 264222988 /nfs/dbraw/zinc/22/29/88/264222988.db2.gz MOFDCAFIDNNHHN-ZDUSSCGKSA-N 0 0 286.419 3.764 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1nccs1 ZINC000070942176 264243311 /nfs/dbraw/zinc/24/33/11/264243311.db2.gz VSRXBIULQHKKSI-SSDOTTSWSA-N 0 0 273.283 3.730 10 0 CHAERN Clc1cc(N[C@@H]2CCOc3ccccc32)ccn1 ZINC000129829389 264339717 /nfs/dbraw/zinc/33/97/17/264339717.db2.gz YUQKRGFYGYGZJC-GFCCVEGCSA-N 0 0 260.724 3.671 10 0 CHAERN C[C@H](Nc1ncc(Cl)cn1)c1cccc(Cl)c1 ZINC000093536484 265185379 /nfs/dbraw/zinc/18/53/79/265185379.db2.gz YPBXKOFFCDUXBJ-QMMMGPOBSA-N 0 0 268.147 3.957 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2)cc1F ZINC000094820591 265258140 /nfs/dbraw/zinc/25/81/40/265258140.db2.gz MUGZCNDBRLEIGG-LBPRGKRZSA-N 0 0 257.308 3.625 10 0 CHAERN COc1ccc2c(c1)[C@@H](Nc1cc(OC)ccc1F)CC2 ZINC000094854082 265265070 /nfs/dbraw/zinc/26/50/70/265265070.db2.gz YUUPMDKKNFHHFY-INIZCTEOSA-N 0 0 287.334 3.942 10 0 CHAERN CCC[C@@H](CC)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114826741 266700583 /nfs/dbraw/zinc/70/05/83/266700583.db2.gz BANZSONKLWVNMQ-CHWSQXEVSA-N 0 0 295.452 3.611 10 0 CHAERN O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000116043428 267120910 /nfs/dbraw/zinc/12/09/10/267120910.db2.gz ICSBDYWYFUBLQH-INIZCTEOSA-N 0 0 281.355 3.746 10 0 CHAERN CCc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116047009 267121045 /nfs/dbraw/zinc/12/10/45/267121045.db2.gz DVKTXXPSFYWGMI-HNNXBMFYSA-N 0 0 269.344 3.819 10 0 CHAERN CCCCS[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047282 267121334 /nfs/dbraw/zinc/12/13/34/267121334.db2.gz XUVPKWOGDJASAG-STQMWFEESA-N 0 0 281.421 3.865 10 0 CHAERN Cc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]1c1ccco1 ZINC000116297287 267138159 /nfs/dbraw/zinc/13/81/59/267138159.db2.gz VGQGYXBUHNFILD-GOEBONIOSA-N 0 0 298.386 3.752 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000117252449 267207595 /nfs/dbraw/zinc/20/75/95/267207595.db2.gz UUFCQDHBOLHDMR-GOEBONIOSA-N 0 0 291.439 3.690 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117646156 267218318 /nfs/dbraw/zinc/21/83/18/267218318.db2.gz LAYUVZGNRNPVJL-YVEFUNNKSA-N 0 0 297.354 3.507 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000370241783 267302567 /nfs/dbraw/zinc/30/25/67/267302567.db2.gz DMWMHOUTVCHJNE-RNCFNFMXSA-N 0 0 283.293 3.509 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CCC12CCCCC2 ZINC000372965175 267621079 /nfs/dbraw/zinc/62/10/79/267621079.db2.gz BGQIDKVWMJLAPM-UHFFFAOYSA-N 0 0 261.340 3.683 10 0 CHAERN C[C@@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1(Cl)Cl ZINC000121673437 267705739 /nfs/dbraw/zinc/70/57/39/267705739.db2.gz BTLBVQUUWCMLJT-OCCSQVGLSA-N 0 0 298.213 3.586 10 0 CHAERN COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000052233217 523937648 /nfs/dbraw/zinc/93/76/48/523937648.db2.gz CFVGETJEMBTYQS-NSHDSACASA-N 0 0 260.255 3.618 10 0 CHAERN CCC1CCC(NC(=O)c2cc(C(C)=O)cs2)CC1 ZINC000106610564 327805059 /nfs/dbraw/zinc/80/50/59/327805059.db2.gz GMYMPTPKSQWJFC-UHFFFAOYSA-N 0 0 279.405 3.649 10 0 CHAERN Cc1cnc(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000184014076 327823454 /nfs/dbraw/zinc/82/34/54/327823454.db2.gz XPANRXLZEWACLN-PWSUYJOCSA-N 0 0 280.437 3.530 10 0 CHAERN CC/C=C/CCNC1(c2noc(C3CC3)n2)CCCC1 ZINC000184586791 327830416 /nfs/dbraw/zinc/83/04/16/327830416.db2.gz WMCYQLXXWKMNJJ-ONEGZZNKSA-N 0 0 275.396 3.662 10 0 CHAERN C[C@H]1C[C@@H](Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000040737646 328016103 /nfs/dbraw/zinc/01/61/03/328016103.db2.gz LCLCPFKWNRRPQS-XJKSGUPXSA-N 0 0 261.409 3.848 10 0 CHAERN CSc1cccc(N(C)C(=O)Cc2ccc(C)s2)c1 ZINC000101831892 328378773 /nfs/dbraw/zinc/37/87/73/328378773.db2.gz RJPFDHIDNKGASN-UHFFFAOYSA-N 0 0 291.441 3.984 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccccc2)c1 ZINC000037086650 326835905 /nfs/dbraw/zinc/83/59/05/326835905.db2.gz FSSAHQYBJXRIFQ-ZDUSSCGKSA-N 0 0 268.360 3.528 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(F)cc2)c1 ZINC000037086640 326836035 /nfs/dbraw/zinc/83/60/35/326836035.db2.gz QQAMDEOZPSJFSZ-GFCCVEGCSA-N 0 0 286.350 3.667 10 0 CHAERN CC(C)c1ccc([C@H](C)NCc2cnns2)cc1 ZINC000296879942 327114302 /nfs/dbraw/zinc/11/43/02/327114302.db2.gz WZCCBDGKYALUSP-NSHDSACASA-N 0 0 261.394 3.512 10 0 CHAERN Cc1nc(Cl)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000151953577 327243001 /nfs/dbraw/zinc/24/30/01/327243001.db2.gz ZDSUYILSAPQDEI-GFCCVEGCSA-N 0 0 290.750 3.614 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCCC2)cc1 ZINC000054065962 328685121 /nfs/dbraw/zinc/68/51/21/328685121.db2.gz IPIHKVSBGSSKAU-ZDUSSCGKSA-N 0 0 260.381 3.676 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116413898 328696223 /nfs/dbraw/zinc/69/62/23/328696223.db2.gz YYGXKIBAHAAZEY-HZSPNIEDSA-N 0 0 276.380 3.705 10 0 CHAERN CC1(C)CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000102918490 328715722 /nfs/dbraw/zinc/71/57/22/328715722.db2.gz VOAGTMTUCHHFCA-ZIAGYGMSSA-N 0 0 277.795 3.845 10 0 CHAERN CC[C@H](NC(=O)c1cccc(Br)c1)C(C)C ZINC000042550618 328769322 /nfs/dbraw/zinc/76/93/22/328769322.db2.gz UHAAZDCACCAOPG-LBPRGKRZSA-N 0 0 284.197 3.614 10 0 CHAERN Cc1ccc(C(=O)c2cc3nc(C)ccc3o2)cc1 ZINC000103500595 328771044 /nfs/dbraw/zinc/77/10/44/328771044.db2.gz YYGXQRIGKGAKAI-UHFFFAOYSA-N 0 0 251.285 3.676 10 0 CHAERN C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041256 328933962 /nfs/dbraw/zinc/93/39/62/328933962.db2.gz ZUNHBJYVVWTIIN-GDBMZVCRSA-N 0 0 283.371 3.822 10 0 CHAERN C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041254 328933971 /nfs/dbraw/zinc/93/39/71/328933971.db2.gz ZUNHBJYVVWTIIN-GOEBONIOSA-N 0 0 283.371 3.822 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117724487 328942875 /nfs/dbraw/zinc/94/28/75/328942875.db2.gz UGJRCTUVUNYWFV-UHFFFAOYSA-N 0 0 283.396 3.986 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000193749778 329061586 /nfs/dbraw/zinc/06/15/86/329061586.db2.gz QXAXXLWGADKWSM-BLLLJJGKSA-N 0 0 297.402 3.902 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000170632862 329067572 /nfs/dbraw/zinc/06/75/72/329067572.db2.gz IFRPZOJBZHODRN-UHFFFAOYSA-N 0 0 293.326 3.606 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC(Oc2ccccc2)CC1 ZINC000171416806 329075775 /nfs/dbraw/zinc/07/57/75/329075775.db2.gz SSOLWSBIKMGHEE-HNNXBMFYSA-N 0 0 289.419 3.739 10 0 CHAERN O=C(CC1=CCCCC1)N1CCC(Cc2ccccn2)CC1 ZINC000171611868 329077978 /nfs/dbraw/zinc/07/79/78/329077978.db2.gz RANYCOLTYFCYRA-UHFFFAOYSA-N 0 0 298.430 3.753 10 0 CHAERN C[C@H](CC1CCCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000172090588 329080824 /nfs/dbraw/zinc/08/08/24/329080824.db2.gz OTNPTKWCIHAWNH-CJNGLKHVSA-N 0 0 287.403 3.843 10 0 CHAERN CC(C)[C@@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000172092565 329081020 /nfs/dbraw/zinc/08/10/20/329081020.db2.gz LMFCIPJWLROVIK-GFCCVEGCSA-N 0 0 263.406 3.656 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C2CCCC2)o1 ZINC000172182125 329082133 /nfs/dbraw/zinc/08/21/33/329082133.db2.gz NFAOKVNUCPTDFK-VXGBXAGGSA-N 0 0 264.369 3.527 10 0 CHAERN O=C(CCc1cccs1)N1CCC[C@H]1c1ccco1 ZINC000172243017 329084140 /nfs/dbraw/zinc/08/41/40/329084140.db2.gz BUVPNYWSWLEBBW-ZDUSSCGKSA-N 0 0 275.373 3.637 10 0 CHAERN Cc1cc(N[C@H](C)COCc2ccccc2)nc(C2CC2)n1 ZINC000172781459 329138672 /nfs/dbraw/zinc/13/86/72/329138672.db2.gz WXAGBAGQTUIORP-CQSZACIVSA-N 0 0 297.402 3.680 10 0 CHAERN O=C(CCCC1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000173105965 329144800 /nfs/dbraw/zinc/14/48/00/329144800.db2.gz BFEFPCZZKDGYMA-MRXNPFEDSA-N 0 0 287.403 3.987 10 0 CHAERN CC(C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173368451 329146514 /nfs/dbraw/zinc/14/65/14/329146514.db2.gz OUBUXHOXPAAVLJ-LBPRGKRZSA-N 0 0 295.452 3.564 10 0 CHAERN C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)c1ccncc1 ZINC000174814738 329161552 /nfs/dbraw/zinc/16/15/52/329161552.db2.gz FDWKWODSNHJJIF-JKIFEVAISA-N 0 0 295.386 3.545 10 0 CHAERN CC[C@H](NC(=O)N1CCC2(CCCC2)C1)c1nccs1 ZINC000175158388 329163636 /nfs/dbraw/zinc/16/36/36/329163636.db2.gz MEAFSONMMHZJRP-LBPRGKRZSA-N 0 0 293.436 3.570 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175603224 329170333 /nfs/dbraw/zinc/17/03/33/329170333.db2.gz WASVWDQVUMJUFT-OAHLLOKOSA-N 0 0 295.467 3.866 10 0 CHAERN CC(C)C1(CNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000176029801 329173416 /nfs/dbraw/zinc/17/34/16/329173416.db2.gz QYJNVFCRODQDIX-CYBMUJFWSA-N 0 0 276.380 3.562 10 0 CHAERN C[C@@H](NC(=O)N1CCCC[C@H]1c1nccs1)C(C)(C)C ZINC000176356302 329174677 /nfs/dbraw/zinc/17/46/77/329174677.db2.gz DZFDHENAGBEBHF-NEPJUHHUSA-N 0 0 295.452 3.814 10 0 CHAERN CCc1cc(C(=O)N[C@@H]2CCOc3ccccc32)oc1CC ZINC000178356825 329199139 /nfs/dbraw/zinc/19/91/39/329199139.db2.gz HTQOJCIZKXYAIG-CQSZACIVSA-N 0 0 299.370 3.658 10 0 CHAERN CSc1ccc(CN[C@H](C)c2ncc(C)o2)cc1 ZINC000220920127 329204052 /nfs/dbraw/zinc/20/40/52/329204052.db2.gz CPPIZBJIXODJHK-LLVKDONJSA-N 0 0 262.378 3.556 10 0 CHAERN CCC[C@@H](C)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000179967811 329214111 /nfs/dbraw/zinc/21/41/11/329214111.db2.gz ADJFYFPQJLQNAT-CHWSQXEVSA-N 0 0 265.401 3.766 10 0 CHAERN COCCC1(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC000180448718 329217299 /nfs/dbraw/zinc/21/72/99/329217299.db2.gz JBUUUDNQIGSXGQ-LSDHHAIUSA-N 0 0 295.467 3.772 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)c2cccnc2)CC(C)(C)C1 ZINC000180469496 329217638 /nfs/dbraw/zinc/21/76/38/329217638.db2.gz VBFLNFXCXKKEDM-OLZOCXBDSA-N 0 0 260.381 3.507 10 0 CHAERN COCc1csc(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000180564488 329220786 /nfs/dbraw/zinc/22/07/86/329220786.db2.gz ASLVEDULXBGMPA-MNOVXSKESA-N 0 0 296.436 3.690 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccoc1)[C@@H](C)C2 ZINC000181252699 329228218 /nfs/dbraw/zinc/22/82/18/329228218.db2.gz KNXIPFDERHPTOI-SCLBCKFNSA-N 0 0 283.371 3.570 10 0 CHAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411299 329236516 /nfs/dbraw/zinc/23/65/16/329236516.db2.gz YXHRTZRHWIJDNO-HNAYVOBHSA-N 0 0 289.382 3.917 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2nccs2)CC(C)(C)C1 ZINC000182222009 329241125 /nfs/dbraw/zinc/24/11/25/329241125.db2.gz AGPIVLOJPCDPDI-UWVGGRQHSA-N 0 0 252.383 3.544 10 0 CHAERN C[C@H]1C[C@H](C(=O)NCC(=O)c2cccs2)CC(C)(C)C1 ZINC000182948674 329246116 /nfs/dbraw/zinc/24/61/16/329246116.db2.gz XZVDDYPCBCITJB-RYUDHWBXSA-N 0 0 293.432 3.509 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2cccnc2)n1 ZINC000183440831 329247944 /nfs/dbraw/zinc/24/79/44/329247944.db2.gz MHCKGGPCUBQOLU-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000183607490 329251344 /nfs/dbraw/zinc/25/13/44/329251344.db2.gz MRJSOJNIYPWJMH-OCCSQVGLSA-N 0 0 275.392 3.580 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)Nc2ccncc2F)c2ccccc21 ZINC000184129164 329256606 /nfs/dbraw/zinc/25/66/06/329256606.db2.gz NGMRFBJZNKPBJG-XHDPSFHLSA-N 0 0 299.349 3.981 10 0 CHAERN ClC(Cl)(Cl)CCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000184658208 329261847 /nfs/dbraw/zinc/26/18/47/329261847.db2.gz DQNCABMUWAKOKR-SNVBAGLBSA-N 0 0 296.629 3.697 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N[C@H]1COc2ccccc21 ZINC000185337625 329270543 /nfs/dbraw/zinc/27/05/43/329270543.db2.gz IHLZLDMMEPZTKM-AWEZNQCLSA-N 0 0 293.322 3.605 10 0 CHAERN CCC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000185599915 329327013 /nfs/dbraw/zinc/32/70/13/329327013.db2.gz ZVUCMFQMOYTDMX-OAHLLOKOSA-N 0 0 287.403 3.987 10 0 CHAERN CCn1c(C)nnc1CN1CCC[C@@H](C)c2ccccc21 ZINC000185978699 329337981 /nfs/dbraw/zinc/33/79/81/329337981.db2.gz DSRGLXRDPNUSBB-CYBMUJFWSA-N 0 0 284.407 3.510 10 0 CHAERN CSCCCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000186179036 329339050 /nfs/dbraw/zinc/33/90/50/329339050.db2.gz JTTSSXGLERKTGB-ZDUSSCGKSA-N 0 0 296.436 3.659 10 0 CHAERN CC(C)CCn1cccc1CNc1ncccc1F ZINC000186425554 329342233 /nfs/dbraw/zinc/34/22/33/329342233.db2.gz BNZMHORVGPTLON-UHFFFAOYSA-N 0 0 261.344 3.680 10 0 CHAERN C[C@H](CCc1ccco1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186530210 329344963 /nfs/dbraw/zinc/34/49/63/329344963.db2.gz MSKNZROSISJAEY-GFCCVEGCSA-N 0 0 299.374 3.690 10 0 CHAERN CC[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C(C)C ZINC000186548685 329345096 /nfs/dbraw/zinc/34/50/96/329345096.db2.gz SWTWCJYRBDFSSE-ZDUSSCGKSA-N 0 0 261.369 3.510 10 0 CHAERN C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186539531 329345176 /nfs/dbraw/zinc/34/51/76/329345176.db2.gz ZEFCUZJOKXHGTA-BXUZGUMPSA-N 0 0 273.380 3.655 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3coc(C)c3)C2)cc1 ZINC000187148279 329353459 /nfs/dbraw/zinc/35/34/59/329353459.db2.gz KSTVJTUKLTZHQC-WFASDCNBSA-N 0 0 299.370 3.615 10 0 CHAERN CCC[C@H](C)CNc1ccc2c(c1)CN(C)C(=O)N2 ZINC000187478342 329357992 /nfs/dbraw/zinc/35/79/92/329357992.db2.gz IPURPCWWQZHOAQ-NSHDSACASA-N 0 0 261.369 3.512 10 0 CHAERN Nc1cccc2c1CCCN2Cc1nc2ccccc2s1 ZINC000038090499 329362262 /nfs/dbraw/zinc/36/22/62/329362262.db2.gz AWTJZRIDFKOAEJ-UHFFFAOYSA-N 0 0 295.411 3.831 10 0 CHAERN CC[C@H](C)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000188377411 329366466 /nfs/dbraw/zinc/36/64/66/329366466.db2.gz LNJKAQNKWLGQKD-AAEUAGOBSA-N 0 0 280.437 3.594 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(Cl)cc2F)o1 ZINC000230932825 329372627 /nfs/dbraw/zinc/37/26/27/329372627.db2.gz BQYZVDHKCJIHKX-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN C[C@@H](NC(=O)Cc1cnc2ccccc2c1)c1cccs1 ZINC000188915088 329373207 /nfs/dbraw/zinc/37/32/07/329373207.db2.gz QKDLKXDJCSIMJO-GFCCVEGCSA-N 0 0 296.395 3.716 10 0 CHAERN O=C(c1ccc(C2CCC2)cc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000188912003 329373226 /nfs/dbraw/zinc/37/32/26/329373226.db2.gz ITIMUJBMKUQPRY-MSOLQXFVSA-N 0 0 299.414 3.738 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccccc1 ZINC000190068104 329392146 /nfs/dbraw/zinc/39/21/46/329392146.db2.gz AKQXLZIPCCCIBB-HNNXBMFYSA-N 0 0 282.343 3.640 10 0 CHAERN CCC1(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CCC1 ZINC000190364455 329395451 /nfs/dbraw/zinc/39/54/51/329395451.db2.gz QKUDEHSQESEOAT-RYUDHWBXSA-N 0 0 278.396 3.820 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389106 329395921 /nfs/dbraw/zinc/39/59/21/329395921.db2.gz QWLLQOPBJAXVCL-CYDGBPFRSA-N 0 0 278.396 3.748 10 0 CHAERN C[C@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)C1CC1 ZINC000191206255 329410724 /nfs/dbraw/zinc/41/07/24/329410724.db2.gz CHLYOCGCSVKEIR-AAEUAGOBSA-N 0 0 293.357 3.717 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ncc(Br)cc2C)o1 ZINC000235258944 329437326 /nfs/dbraw/zinc/43/73/26/329437326.db2.gz HSAZUWARAWBRMC-SECBINFHSA-N 0 0 296.168 3.622 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)sc1C ZINC000116045147 329544357 /nfs/dbraw/zinc/54/43/57/329544357.db2.gz QZJJKAAAAIUMKX-GFCCVEGCSA-N 0 0 275.373 3.935 10 0 CHAERN Cc1ccc(F)cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041874 329544478 /nfs/dbraw/zinc/54/44/78/329544478.db2.gz XWWQICSASXGOOK-CQSZACIVSA-N 0 0 273.307 3.704 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)C(C)(C)C ZINC000116551104 329545254 /nfs/dbraw/zinc/54/52/54/329545254.db2.gz XHUVGVBZNPNUDK-VXGBXAGGSA-N 0 0 264.369 3.561 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)O1 ZINC000123754287 329562415 /nfs/dbraw/zinc/56/24/15/329562415.db2.gz FBMWEGKXHOTRJU-DOMZBBRYSA-N 0 0 293.382 3.520 10 0 CHAERN CCc1cccc(C)c1NCc1nccn1C(C)C ZINC000123951025 329565100 /nfs/dbraw/zinc/56/51/00/329565100.db2.gz BILOSOHFFWYPOW-UHFFFAOYSA-N 0 0 257.381 3.947 10 0 CHAERN C[C@H](NC(=O)c1cccc(O)c1)c1ccc(Cl)s1 ZINC000042593615 329573882 /nfs/dbraw/zinc/57/38/82/329573882.db2.gz XVLSRMLKYMGALL-QMMMGPOBSA-N 0 0 281.764 3.598 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)O1 ZINC000124888854 329575018 /nfs/dbraw/zinc/57/50/18/329575018.db2.gz XXBIVLUDWVGFGH-SUMWQHHRSA-N 0 0 281.355 3.860 10 0 CHAERN Cc1cc(C)cc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000130775449 329627871 /nfs/dbraw/zinc/62/78/71/329627871.db2.gz AKMLLRFNLPKRSA-LSDHHAIUSA-N 0 0 298.434 3.643 10 0 CHAERN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c1 ZINC000130775233 329627899 /nfs/dbraw/zinc/62/78/99/329627899.db2.gz AKMLLRFNLPKRSA-HUUCEWRRSA-N 0 0 298.434 3.643 10 0 CHAERN CCc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130821579 329628818 /nfs/dbraw/zinc/62/88/18/329628818.db2.gz VHTUQEAOOMPSCX-KGLIPLIRSA-N 0 0 298.434 3.589 10 0 CHAERN CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1Cl ZINC000133615263 329653984 /nfs/dbraw/zinc/65/39/84/329653984.db2.gz ODEURGUTPUWNCL-HZMBPMFUSA-N 0 0 297.782 3.635 10 0 CHAERN CCC(=CC(=O)NC1CCN(c2cccs2)CC1)CC ZINC000134145453 329657578 /nfs/dbraw/zinc/65/75/78/329657578.db2.gz HRSABZKUHVAHBQ-UHFFFAOYSA-N 0 0 292.448 3.580 10 0 CHAERN C[C@H](CCNCC(F)(F)C(F)F)c1ccccc1 ZINC000194880881 329689258 /nfs/dbraw/zinc/68/92/58/329689258.db2.gz CIZPNDPCPMPUDE-SNVBAGLBSA-N 0 0 263.278 3.670 10 0 CHAERN CCn1ccnc1CSc1cccc2cccnc21 ZINC000195517297 329693533 /nfs/dbraw/zinc/69/35/33/329693533.db2.gz RJIZMWGVHRSGBI-UHFFFAOYSA-N 0 0 269.373 3.744 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)O1 ZINC000245952529 329761974 /nfs/dbraw/zinc/76/19/74/329761974.db2.gz BHRDNUDPAAHFPR-PVAVHDDUSA-N 0 0 287.403 3.698 10 0 CHAERN COCCC1(c2noc(C3CCCCC3)n2)CCC1 ZINC000420514326 329773712 /nfs/dbraw/zinc/77/37/12/329773712.db2.gz BXUVWNDCVGNRQP-UHFFFAOYSA-N 0 0 264.369 3.576 10 0 CHAERN C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccnc1 ZINC000246384407 329844774 /nfs/dbraw/zinc/84/47/74/329844774.db2.gz VBZKFVJBTRAZML-HBUWYVDXSA-N 0 0 294.398 3.940 10 0 CHAERN CCC1CCC(NC(=O)CCn2cnc3ccccc32)CC1 ZINC000074483556 329864346 /nfs/dbraw/zinc/86/43/46/329864346.db2.gz OEVJGJGDFKSTNZ-UHFFFAOYSA-N 0 0 299.418 3.511 10 0 CHAERN C[C@@H]1CC[C@H](CC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000246657015 329868766 /nfs/dbraw/zinc/86/87/66/329868766.db2.gz PRKMXCYZHOEKMI-RDBSUJKOSA-N 0 0 261.365 3.769 10 0 CHAERN C[C@H](c1cccnc1)N(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246826992 329871140 /nfs/dbraw/zinc/87/11/40/329871140.db2.gz JKWVNZPYQOKMKB-XOKHGSTOSA-N 0 0 286.419 3.817 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000248624172 329896054 /nfs/dbraw/zinc/89/60/54/329896054.db2.gz YPGUVPRKGGDAJR-AVGNSLFASA-N 0 0 280.437 3.879 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000248624176 329896068 /nfs/dbraw/zinc/89/60/68/329896068.db2.gz YPGUVPRKGGDAJR-XQQFMLRXSA-N 0 0 280.437 3.879 10 0 CHAERN CCn1c(C)nnc1CSC/C=C\c1ccccc1 ZINC000255232325 329964599 /nfs/dbraw/zinc/96/45/99/329964599.db2.gz UNPDOIIXZWDRDK-YFHOEESVSA-N 0 0 273.405 3.553 10 0 CHAERN CSc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-])cc1F ZINC000263396301 330054179 /nfs/dbraw/zinc/05/41/79/330054179.db2.gz GRZHIIMNDCXQHC-ZWNOBZJWSA-N 0 0 299.411 3.698 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@H]2CCCn3ccnc32)c1 ZINC000080607005 330144917 /nfs/dbraw/zinc/14/49/17/330144917.db2.gz QCHQJSHFJVGCMJ-INIZCTEOSA-N 0 0 297.402 3.547 10 0 CHAERN CCn1cc([C@H](C)Nc2cccc3c2CCCC3)cn1 ZINC000044494430 330328408 /nfs/dbraw/zinc/32/84/08/330328408.db2.gz CNHQKWNORBWMNF-ZDUSSCGKSA-N 0 0 269.392 3.955 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCC2CCC2)cc1F ZINC000119418812 330374719 /nfs/dbraw/zinc/37/47/19/330374719.db2.gz HEBKTLKDUJDORD-LBPRGKRZSA-N 0 0 263.356 3.892 10 0 CHAERN O=C1CC2(CCC(F)(F)CC2)Oc2ccccc21 ZINC000536952430 330382639 /nfs/dbraw/zinc/38/26/39/330382639.db2.gz BNDVVVTZQYYVNB-UHFFFAOYSA-N 0 0 252.260 3.600 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120688016 330391476 /nfs/dbraw/zinc/39/14/76/330391476.db2.gz WHZMWHOBNRFZSJ-LZLYRXPVSA-N 0 0 295.467 3.747 10 0 CHAERN CCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225253 330391588 /nfs/dbraw/zinc/39/15/88/330391588.db2.gz QNSYGDRTRUAAEE-CVEARBPZSA-N 0 0 290.455 3.760 10 0 CHAERN Cc1ccc2nc(NCc3cscn3)sc2c1 ZINC000091938389 330405080 /nfs/dbraw/zinc/40/50/80/330405080.db2.gz ZPGCGVIBRROBKU-UHFFFAOYSA-N 0 0 261.375 3.673 10 0 CHAERN C[C@@H](NC(=O)N[C@@H](C)Cc1cccs1)c1cccs1 ZINC000061259237 330430187 /nfs/dbraw/zinc/43/01/87/330430187.db2.gz WYBJVVANMRYURT-WDEREUQCSA-N 0 0 294.445 3.801 10 0 CHAERN Cc1ccccc1NC(=O)c1cccc2c1CCCN2 ZINC000061411574 330437847 /nfs/dbraw/zinc/43/78/47/330437847.db2.gz GPVPNYSXRAJLTP-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN CCc1ccc([C@H](C)Nc2nc([C@@H](C)OC)ns2)cc1 ZINC000312339982 330462649 /nfs/dbraw/zinc/46/26/49/330462649.db2.gz KRWXUXGSMIYKCP-WDEREUQCSA-N 0 0 291.420 3.981 10 0 CHAERN C[C@H](NC(=O)C1(C)CCC1)c1cccc(Br)c1 ZINC000495169791 332510301 /nfs/dbraw/zinc/51/03/01/332510301.db2.gz UJJSZJIMYKJWAN-JTQLQIEISA-N 0 0 296.208 3.817 10 0 CHAERN CC(=O)c1cccc2sc(=NC(=O)OC(C)(C)C)[nH]c21 ZINC000307079428 333012180 /nfs/dbraw/zinc/01/21/80/333012180.db2.gz FXZNKQLDLHUPQP-UHFFFAOYSA-N 0 0 292.360 3.846 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)CCC[C@@H]2C)o1 ZINC000175340075 333021951 /nfs/dbraw/zinc/02/19/51/333021951.db2.gz GVEKIYLHRUXCOW-OBJOEFQTSA-N 0 0 278.396 3.869 10 0 CHAERN CC[C@@H](c1ccccc1)[S@](=O)Cc1nccn1C(C)C ZINC000176844410 333048731 /nfs/dbraw/zinc/04/87/31/333048731.db2.gz YEPPKHHTOORFPM-MGPUTAFESA-N 0 0 290.432 3.864 10 0 CHAERN CCn1ccnc1CNc1ccc2c3c(cccc31)CC2 ZINC000177094132 333053411 /nfs/dbraw/zinc/05/34/11/333053411.db2.gz PKUXFXCRGONZIJ-UHFFFAOYSA-N 0 0 277.371 3.767 10 0 CHAERN Cc1nc(C(=O)N[C@@H](C)c2ccccc2C)c(C)s1 ZINC000178962196 333078670 /nfs/dbraw/zinc/07/86/70/333078670.db2.gz ICXMOAQLIYWGOQ-JTQLQIEISA-N 0 0 274.389 3.559 10 0 CHAERN C[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000087001254 333080814 /nfs/dbraw/zinc/08/08/14/333080814.db2.gz UPSXPAMLNOEZPZ-RDTXWAMCSA-N 0 0 297.398 3.976 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2F)cc1F ZINC000088233765 333087271 /nfs/dbraw/zinc/08/72/71/333087271.db2.gz KREQZSWFRJIAQW-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1F ZINC000088235861 333087460 /nfs/dbraw/zinc/08/74/60/333087460.db2.gz WERLKCACCKXGHN-ZDUSSCGKSA-N 0 0 271.335 3.934 10 0 CHAERN C[C@H]1C[C@H](C(=O)NCCc2cccc(O)c2)CC(C)(C)C1 ZINC000183511212 333121058 /nfs/dbraw/zinc/12/10/58/333121058.db2.gz PLSRBLVFVCYCOE-ZFWWWQNUSA-N 0 0 289.419 3.513 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000184208684 333125587 /nfs/dbraw/zinc/12/55/87/333125587.db2.gz WKFOEZFWUCOSQW-LSDHHAIUSA-N 0 0 297.483 3.754 10 0 CHAERN CCc1nc([C@@H](C)N[C@H](C)c2cncc(C)c2)cs1 ZINC000184353632 333127277 /nfs/dbraw/zinc/12/72/77/333127277.db2.gz UPPHAMAZBJMCII-VXGBXAGGSA-N 0 0 275.421 3.821 10 0 CHAERN Cc1nccnc1[C@@H](C)Nc1cccc2c1CCCC2 ZINC000219217197 333144340 /nfs/dbraw/zinc/14/43/40/333144340.db2.gz PHLNBNYFRHUOFX-CYBMUJFWSA-N 0 0 267.376 3.837 10 0 CHAERN CC(C)N(C)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000190671847 333209424 /nfs/dbraw/zinc/20/94/24/333209424.db2.gz NUTFXAGLICAZTM-KRWDZBQOSA-N 0 0 286.419 3.989 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000191835599 333226024 /nfs/dbraw/zinc/22/60/24/333226024.db2.gz RFNXFWYHLMBTHA-CHWSQXEVSA-N 0 0 275.392 3.738 10 0 CHAERN CCc1onc(C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000193295583 333247259 /nfs/dbraw/zinc/24/72/59/333247259.db2.gz AFHVGMYTTCGEMN-SSDOTTSWSA-N 0 0 298.795 3.751 10 0 CHAERN Cc1ncc(CN2CCCC[C@H]2c2nccs2)s1 ZINC000195372458 333251547 /nfs/dbraw/zinc/25/15/47/333251547.db2.gz YNAXMAYBRYDNJZ-LBPRGKRZSA-N 0 0 279.434 3.635 10 0 CHAERN Cc1cc(C)c(NC(=O)c2ccc3cc[nH]c3c2)c(C)n1 ZINC000193785056 333257698 /nfs/dbraw/zinc/25/76/98/333257698.db2.gz OCGJUDZENRJOFB-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN CCC1CCC(NC(=O)N(C)Cc2ccc(C)o2)CC1 ZINC000194067024 333264682 /nfs/dbraw/zinc/26/46/82/333264682.db2.gz RTUIVNWLOBMBDY-UHFFFAOYSA-N 0 0 278.396 3.698 10 0 CHAERN O=C(N[C@H]1COc2ccccc21)c1csc2ccccc12 ZINC000194870643 333278431 /nfs/dbraw/zinc/27/84/31/333278431.db2.gz WEQVFBWREVEVMY-AWEZNQCLSA-N 0 0 295.363 3.765 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000231691145 333328081 /nfs/dbraw/zinc/32/80/81/333328081.db2.gz IAQNMPVLMMJGPQ-WBMJQRKESA-N 0 0 270.376 3.703 10 0 CHAERN O=C(Cc1ccccc1)N1CC=C(c2ccccc2)CC1 ZINC000169967231 333424478 /nfs/dbraw/zinc/42/44/78/333424478.db2.gz AEIGSZKIMHPWGP-UHFFFAOYSA-N 0 0 277.367 3.545 10 0 CHAERN CC[C@H](C)C[C@H](CC)Nc1cccc(Cn2cncn2)c1 ZINC000037785143 333540357 /nfs/dbraw/zinc/54/03/57/333540357.db2.gz QWPSQAFMVPHROV-HOCLYGCPSA-N 0 0 286.423 3.953 10 0 CHAERN C[C@H]1CC[C@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000129181145 333752121 /nfs/dbraw/zinc/75/21/21/333752121.db2.gz NFIBCEJYKQHZEO-JOYOIKCWSA-N 0 0 278.739 3.554 10 0 CHAERN Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)C(C)C ZINC000072075302 333902500 /nfs/dbraw/zinc/90/25/00/333902500.db2.gz HBOWOZITLXNTKY-AWEZNQCLSA-N 0 0 276.424 3.616 10 0 CHAERN CC(=O)c1csc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000131871070 333968012 /nfs/dbraw/zinc/96/80/12/333968012.db2.gz IUMAKJMGYRALTJ-NWDGAFQWSA-N 0 0 292.404 3.501 10 0 CHAERN CCSc1cccc(NC(=O)N[C@@H](C)C(C)C)c1 ZINC000073991417 333981741 /nfs/dbraw/zinc/98/17/41/333981741.db2.gz FRAHZUPDQXPDAK-NSHDSACASA-N 0 0 266.410 3.965 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)NCc2ccco2)c2ccccc21 ZINC000132827599 334006650 /nfs/dbraw/zinc/00/66/50/334006650.db2.gz KMVYUVWHRYVRJF-MLGOLLRUSA-N 0 0 284.359 3.717 10 0 CHAERN CCc1cnc([C@H](C)Nc2ncnc3sccc32)s1 ZINC000134926378 334108690 /nfs/dbraw/zinc/10/86/90/334108690.db2.gz BBEOVJKWGMBPDW-QMMMGPOBSA-N 0 0 290.417 3.883 10 0 CHAERN C[C@H](Nc1nc2ccccc2n1C)c1cccs1 ZINC000079044353 334146337 /nfs/dbraw/zinc/14/63/37/334146337.db2.gz ZSEPQQPTBDNGJL-JTQLQIEISA-N 0 0 257.362 3.808 10 0 CHAERN CCc1cnccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136111332 334146971 /nfs/dbraw/zinc/14/69/71/334146971.db2.gz YYHNDBMZIAARLN-NSHDSACASA-N 0 0 288.778 3.788 10 0 CHAERN CCCOc1ccc(CCC(=O)N[C@@H](C)C(C)C)cc1 ZINC000079411498 334153898 /nfs/dbraw/zinc/15/38/98/334153898.db2.gz BARCMNAZYKXECF-AWEZNQCLSA-N 0 0 277.408 3.569 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000080431737 334171510 /nfs/dbraw/zinc/17/15/10/334171510.db2.gz CYMATNZXYNCJKL-DZGCQCFKSA-N 0 0 272.392 3.804 10 0 CHAERN C[C@@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000246303049 334249718 /nfs/dbraw/zinc/24/97/18/334249718.db2.gz DFAJDKQQJPVDPY-OUAUKWLOSA-N 0 0 282.334 3.608 10 0 CHAERN CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000246416730 334256843 /nfs/dbraw/zinc/25/68/43/334256843.db2.gz HPDXCUZXJRNZRO-GDLCADMTSA-N 0 0 265.784 3.604 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000246788685 334269434 /nfs/dbraw/zinc/26/94/34/334269434.db2.gz ZZGXZQAAXZASMF-ZBAXXZLZSA-N 0 0 295.452 3.636 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247219834 334277764 /nfs/dbraw/zinc/27/77/64/334277764.db2.gz WHZMWHOBNRFZSJ-BQFCYCMXSA-N 0 0 295.467 3.747 10 0 CHAERN CC[C@@H]1CCC[C@H](CN2CCO[C@@H](c3nccs3)C2)C1 ZINC000248497344 334304302 /nfs/dbraw/zinc/30/43/02/334304302.db2.gz RFSXHLVDKSGJRS-QLFBSQMISA-N 0 0 294.464 3.733 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248566302 334306493 /nfs/dbraw/zinc/30/64/93/334306493.db2.gz NJNFUEVBJPGJDN-YFKTTZPYSA-N 0 0 279.346 3.906 10 0 CHAERN COC(=O)[C@@H](c1ccccc1C)N1CCC[C@H]1c1ccco1 ZINC000248606469 334308298 /nfs/dbraw/zinc/30/82/98/334308298.db2.gz FWUIIHHFDNEISK-DOTOQJQBSA-N 0 0 299.370 3.639 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCS[C@H](C)CC2)CC(C)(C)C1 ZINC000248658137 334311472 /nfs/dbraw/zinc/31/14/72/334311472.db2.gz FVVCEQQMMVDIKU-MGPQQGTHSA-N 0 0 283.481 3.803 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)c1scnc1C1CC1 ZINC000089583607 334346924 /nfs/dbraw/zinc/34/69/24/334346924.db2.gz FWWQYUWIRQBDRC-AWEZNQCLSA-N 0 0 298.411 3.828 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000250928517 334353468 /nfs/dbraw/zinc/35/34/68/334353468.db2.gz ZGYQUTXQSWZAFP-UXIGCNINSA-N 0 0 274.408 3.591 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C ZINC000251160018 334357470 /nfs/dbraw/zinc/35/74/70/334357470.db2.gz LMEUPVSLUWJDIU-VNHYZAJKSA-N 0 0 260.381 3.544 10 0 CHAERN CCCC(CCC)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000251217488 334358290 /nfs/dbraw/zinc/35/82/90/334358290.db2.gz XZXLLJVDQCNIJH-BRWVUGGUSA-N 0 0 295.467 3.745 10 0 CHAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1ccoc1 ZINC000094868683 334506875 /nfs/dbraw/zinc/50/68/75/334506875.db2.gz JLIPVLULSKVDMY-GFCCVEGCSA-N 0 0 253.305 3.638 10 0 CHAERN CN(C(=O)N[C@@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000153025110 334543602 /nfs/dbraw/zinc/54/36/02/334543602.db2.gz SFGCSHVROKXVGO-OAHLLOKOSA-N 0 0 272.392 3.504 10 0 CHAERN CCCN(CC(F)F)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000153043946 334549336 /nfs/dbraw/zinc/54/93/36/334549336.db2.gz RLVPHCYOJKLFKN-STQMWFEESA-N 0 0 273.367 3.707 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)N(C)CC2CC2)c2ccccc21 ZINC000153127453 334559445 /nfs/dbraw/zinc/55/94/45/334559445.db2.gz CXBYMKMSHYULHZ-BLLLJJGKSA-N 0 0 272.392 3.676 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)N(C)CC2CC2)c2ccccc21 ZINC000153127254 334559459 /nfs/dbraw/zinc/55/94/59/334559459.db2.gz CXBYMKMSHYULHZ-LRDDRELGSA-N 0 0 272.392 3.676 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000153333777 334588768 /nfs/dbraw/zinc/58/87/68/334588768.db2.gz JIIFMBIUMDCVBI-HNNXBMFYSA-N 0 0 261.340 3.510 10 0 CHAERN O=C(Nc1cccc(O)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000158657655 334808996 /nfs/dbraw/zinc/80/89/96/334808996.db2.gz AYZQHLMDBJMVGP-CABCVRRESA-N 0 0 259.349 3.547 10 0 CHAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1cscn1 ZINC000165614657 334900705 /nfs/dbraw/zinc/90/07/05/334900705.db2.gz ZIMRUBATKTVZPV-NSHDSACASA-N 0 0 270.361 3.502 10 0 CHAERN O=C(Nc1ccc(Cl)cn1)N1CCC[C@H]1c1ccco1 ZINC000175872751 335212157 /nfs/dbraw/zinc/21/21/57/335212157.db2.gz KHLIHYBEGZSYOB-NSHDSACASA-N 0 0 291.738 3.697 10 0 CHAERN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c(C)n1 ZINC000176774853 335330402 /nfs/dbraw/zinc/33/04/02/335330402.db2.gz FXJPVGHERNPWEA-AWEZNQCLSA-N 0 0 285.347 3.660 10 0 CHAERN CC(C)c1nnc(CN(CC2CCC2)c2ccccc2)n1C ZINC000177181546 335367782 /nfs/dbraw/zinc/36/77/82/335367782.db2.gz FJBKDRMZSUQWHB-UHFFFAOYSA-N 0 0 298.434 3.745 10 0 CHAERN CCN(Cc1nnc(C(C)C)n1C)c1cc(C)ccc1C ZINC000195097465 336045159 /nfs/dbraw/zinc/04/51/59/336045159.db2.gz LGWOOHLSWLSGES-UHFFFAOYSA-N 0 0 286.423 3.582 10 0 CHAERN CCCNc1cc(COCCCC(C)C)ccn1 ZINC000052755119 520138207 /nfs/dbraw/zinc/13/82/07/520138207.db2.gz CRYWYWIXMBGMEM-UHFFFAOYSA-N 0 0 250.386 3.856 10 0 CHAERN CCNc1snnc1COc1ccc(C(C)C)cc1 ZINC000050830691 520388163 /nfs/dbraw/zinc/38/81/63/520388163.db2.gz JHUQRXQHQZHQSL-UHFFFAOYSA-N 0 0 277.393 3.672 10 0 CHAERN CCN(CC(F)(F)F)c1ccc([C@H](C)O)cc1Cl ZINC000061696768 520422728 /nfs/dbraw/zinc/42/27/28/520422728.db2.gz ZBPAMHDZCKWHIQ-QMMMGPOBSA-N 0 0 281.705 3.782 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000103391318 522178208 /nfs/dbraw/zinc/17/82/08/522178208.db2.gz ORUFNPYWIDXWPP-LLVKDONJSA-N 0 0 275.373 3.636 10 0 CHAERN CC(C)(C)c1ncc(-c2cccc(Cl)c2)c(N)n1 ZINC000061675374 519107905 /nfs/dbraw/zinc/10/79/05/519107905.db2.gz NSUCPWFIAUXKJU-UHFFFAOYSA-N 0 0 261.756 3.677 10 0 CHAERN CC(C)C[C@@H](CO)Nc1ccnc2cc(Cl)ccc21 ZINC000040779397 519225245 /nfs/dbraw/zinc/22/52/45/519225245.db2.gz NAWFSMHSWVDLDM-LBPRGKRZSA-N 0 0 278.783 3.707 10 0 CHAERN CC(C)Nc1cc(-c2ccccc2C(F)(F)F)[nH]n1 ZINC000062668477 519741125 /nfs/dbraw/zinc/74/11/25/519741125.db2.gz ZYMPUOLCJXITSO-UHFFFAOYSA-N 0 0 269.270 3.916 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000079828559 519812649 /nfs/dbraw/zinc/81/26/49/519812649.db2.gz BZURFRBXFNMRJP-LBPRGKRZSA-N 0 0 278.371 3.544 10 0 CHAERN CC(C)c1ccc(Nc2ccnc(C(N)=S)c2)cc1 ZINC000061812029 519837858 /nfs/dbraw/zinc/83/78/58/519837858.db2.gz SWRPTUCZRABFGP-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN CC(C)c1csc(NC(=O)c2ccc(Cl)c(N)c2)n1 ZINC000049234210 519856359 /nfs/dbraw/zinc/85/63/59/519856359.db2.gz QKIMUASLAZFZFZ-UHFFFAOYSA-N 0 0 295.795 3.754 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1ccccc1F ZINC000049531411 519857652 /nfs/dbraw/zinc/85/76/52/519857652.db2.gz IUCCFWOMXAXHPG-VIFPVBQESA-N 0 0 265.357 3.812 10 0 CHAERN CC(C)c1nc(CSc2ccc(N)nc2)cs1 ZINC000049277048 519865112 /nfs/dbraw/zinc/86/51/12/519865112.db2.gz DNXXDDRMTBRXAQ-UHFFFAOYSA-N 0 0 265.407 3.536 10 0 CHAERN CC(C)c1nc([C@H]2CCCN2C[C@H]2CC=CCC2)no1 ZINC000127770091 519868339 /nfs/dbraw/zinc/86/83/39/519868339.db2.gz FLBLOFRUXUNUJT-UONOGXRCSA-N 0 0 275.396 3.686 10 0 CHAERN CC(C)c1nn(C)cc1N[C@H](C)c1cc(F)cc(F)c1 ZINC000280186963 519883843 /nfs/dbraw/zinc/88/38/43/519883843.db2.gz ANDURKBYXIQQPE-SNVBAGLBSA-N 0 0 279.334 3.995 10 0 CHAERN CCCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117721809 519922200 /nfs/dbraw/zinc/92/22/00/519922200.db2.gz RLNSKVGEDKTGHH-UHFFFAOYSA-N 0 0 263.406 3.944 10 0 CHAERN CC/C=C(/C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127585442 520183821 /nfs/dbraw/zinc/18/38/21/520183821.db2.gz WVPQZQAIEQYZBR-YRBHFNIASA-N 0 0 261.365 3.998 10 0 CHAERN CC/C=C(/C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127585641 520184746 /nfs/dbraw/zinc/18/47/46/520184746.db2.gz WVPQZQAIEQYZBR-VDBIKXPHSA-N 0 0 261.365 3.998 10 0 CHAERN CCNc1ccc(Cl)c(COc2ccccc2)n1 ZINC000061640077 520309794 /nfs/dbraw/zinc/30/97/94/520309794.db2.gz JNNVKGPVWWFGAW-UHFFFAOYSA-N 0 0 262.740 3.746 10 0 CHAERN CCNc1ccccc1C(=O)N[C@H](C)c1ccsc1 ZINC000061374068 520339541 /nfs/dbraw/zinc/33/95/41/520339541.db2.gz KMTTYZYTCKVWBP-LLVKDONJSA-N 0 0 274.389 3.671 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccccc2COC)C12CCC2 ZINC000087709533 520375659 /nfs/dbraw/zinc/37/56/59/520375659.db2.gz FUADHFOIVGICEJ-HZPDHXFCSA-N 0 0 275.392 3.593 10 0 CHAERN CC1(C)CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000302371531 520383441 /nfs/dbraw/zinc/38/34/41/520383441.db2.gz AEADAXWTZRHYFL-UHFFFAOYSA-N 0 0 262.303 3.749 10 0 CHAERN CC1(C)CCN(c2ccc(C(N)=S)cc2Cl)CC1 ZINC000062796218 520383561 /nfs/dbraw/zinc/38/35/61/520383561.db2.gz XWLVYSRHDSNQDX-UHFFFAOYSA-N 0 0 282.840 3.601 10 0 CHAERN CCN(CC(F)(F)F)c1ccc(C(C)=O)cc1Cl ZINC000061694178 520423216 /nfs/dbraw/zinc/42/32/16/520423216.db2.gz BDJOVKLCDVLXRY-UHFFFAOYSA-N 0 0 279.689 3.931 10 0 CHAERN CCCCN(c1nc2c(s1)[C@H](O)CCC2)[C@@H](C)CC ZINC000054928418 520553694 /nfs/dbraw/zinc/55/36/94/520553694.db2.gz UHHDUBPSYXRFPJ-WCQYABFASA-N 0 0 282.453 3.918 10 0 CHAERN CCCCOCCNc1ccc(OC(F)F)cc1 ZINC000049262036 520784856 /nfs/dbraw/zinc/78/48/56/520784856.db2.gz LWIZUSKZIJKWSH-UHFFFAOYSA-N 0 0 259.296 3.517 10 0 CHAERN CCC[C@@H](O)[C@@H](CC)n1c2ccccc2nc1CC ZINC000062807852 520808212 /nfs/dbraw/zinc/80/82/12/520808212.db2.gz WAYOPQHIYZZDIU-UKRRQHHQSA-N 0 0 260.381 3.711 10 0 CHAERN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C(CC)CC)C1 ZINC000062752177 520829141 /nfs/dbraw/zinc/82/91/41/520829141.db2.gz LRUDUZSCWJVWIF-VHDGCEQUSA-N 0 0 269.429 3.776 10 0 CHAERN CCCC[C@@H](C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000050886647 521005744 /nfs/dbraw/zinc/00/57/44/521005744.db2.gz NJEYCGZQNXKXDP-MRVPVSSYSA-N 0 0 289.206 3.884 10 0 CHAERN CCOc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000050443478 521180757 /nfs/dbraw/zinc/18/07/57/521180757.db2.gz NTIVUPABSWXKLI-UHFFFAOYSA-N 0 0 277.751 3.900 10 0 CHAERN CCOc1ccc([C@](C)(O)c2ccc(C)cc2)cc1 ZINC000055190483 521277253 /nfs/dbraw/zinc/27/72/53/521277253.db2.gz MNTYDGJHRKZXOE-QGZVFWFLSA-N 0 0 256.345 3.650 10 0 CHAERN CCOC(=O)[C@](C)(Nc1ccccc1Cl)C(C)C ZINC000052883777 521329819 /nfs/dbraw/zinc/32/98/19/521329819.db2.gz OLUMHEYRMBFTDF-CQSZACIVSA-N 0 0 269.772 3.730 10 0 CHAERN CCCc1cc(NCC)nc(-c2ccccc2C)n1 ZINC000050850102 521379640 /nfs/dbraw/zinc/37/96/40/521379640.db2.gz RGOXOKDWVIURPU-UHFFFAOYSA-N 0 0 255.365 3.836 10 0 CHAERN CCOC(=O)c1ccc(N[C@@H](C)c2ccccc2C)nc1 ZINC000042340000 521521786 /nfs/dbraw/zinc/52/17/86/521521786.db2.gz BOAJCGDEKWUDBG-ZDUSSCGKSA-N 0 0 284.359 3.740 10 0 CHAERN CCOc1ccccc1[C@](C)(O)c1ccccc1Cl ZINC000055239800 521592597 /nfs/dbraw/zinc/59/25/97/521592597.db2.gz OKSUUNMZPBPCJA-MRXNPFEDSA-N 0 0 276.763 3.995 10 0 CHAERN CCCN(CCc1ccccn1)C(=O)C1CCCCCC1 ZINC000101860958 521671792 /nfs/dbraw/zinc/67/17/92/521671792.db2.gz UIOLDFDRZAMBBD-UHFFFAOYSA-N 0 0 288.435 3.833 10 0 CHAERN CCOCCC1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000159279229 521688429 /nfs/dbraw/zinc/68/84/29/521688429.db2.gz AODSRDACOCEMGI-HZPDHXFCSA-N 0 0 293.451 3.526 10 0 CHAERN CCSC[C@@H](C)N(C)c1nc(C)nc2scc(C)c21 ZINC000302282735 521716699 /nfs/dbraw/zinc/71/66/99/521716699.db2.gz KRWKVJBLYOHSRB-SNVBAGLBSA-N 0 0 295.477 3.886 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000226804390 521726902 /nfs/dbraw/zinc/72/69/02/521726902.db2.gz BZQLRIFIZZEOFL-NXEZZACHSA-N 0 0 256.802 3.821 10 0 CHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H]1C ZINC000084187187 521748015 /nfs/dbraw/zinc/74/80/15/521748015.db2.gz SIFVXOMDTIVPHY-KWQFWETISA-N 0 0 269.797 3.590 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2sccc2C)c1 ZINC000070091117 521806897 /nfs/dbraw/zinc/80/68/97/521806897.db2.gz HJKYOMPOFUOPTJ-GFCCVEGCSA-N 0 0 288.416 3.898 10 0 CHAERN COc1c(Cl)c(Cl)ccc1C(=O)OC(C)(C)C ZINC000299888987 521835141 /nfs/dbraw/zinc/83/51/41/521835141.db2.gz BOCDUNGFRVTCND-UHFFFAOYSA-N 0 0 277.147 3.957 10 0 CHAERN Cc1cnc(N[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000302828907 534592215 /nfs/dbraw/zinc/59/22/15/534592215.db2.gz JFJPYSXNXUSEJR-MRVPVSSYSA-N 0 0 254.305 3.903 10 0 CHAERN CCc1ccccc1[C@@H](CO)Nc1ccccc1F ZINC000052205026 521931605 /nfs/dbraw/zinc/93/16/05/521931605.db2.gz JILWBJNFZHAKMO-MRXNPFEDSA-N 0 0 259.324 3.534 10 0 CHAERN CC[C@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000113888705 522092267 /nfs/dbraw/zinc/09/22/67/522092267.db2.gz PBHOOLWVEWJZOJ-HIFRSBDPSA-N 0 0 277.412 3.536 10 0 CHAERN CCc1n[nH]c(=S)n1[C@H](C)c1cc(C)sc1C ZINC000049509955 522130179 /nfs/dbraw/zinc/13/01/79/522130179.db2.gz UFTMATADLHKMOA-MRVPVSSYSA-N 0 0 267.423 3.791 10 0 CHAERN CC[C@@H](C)Oc1cccc(NCC2CCOCC2)c1 ZINC000052172705 522271672 /nfs/dbraw/zinc/27/16/72/522271672.db2.gz ZUSHXPBFTKCEIR-CYBMUJFWSA-N 0 0 263.381 3.702 10 0 CHAERN CC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(C)C ZINC000049091714 522375672 /nfs/dbraw/zinc/37/56/72/522375672.db2.gz OKEJSBZONGRNGG-HNNXBMFYSA-N 0 0 272.392 3.651 10 0 CHAERN COC(=O)c1occc1CN[C@H](C)c1ccc(C)cc1C ZINC000037772152 522416125 /nfs/dbraw/zinc/41/61/25/522416125.db2.gz PEXHRIOQTWJMBU-CYBMUJFWSA-N 0 0 287.359 3.534 10 0 CHAERN CC[C@@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)C(C)C ZINC000113888703 522469186 /nfs/dbraw/zinc/46/91/86/522469186.db2.gz PBHOOLWVEWJZOJ-ZFWWWQNUSA-N 0 0 277.412 3.536 10 0 CHAERN COc1cc(N)ccc1OCc1cccc(Cl)c1 ZINC000050505329 522627543 /nfs/dbraw/zinc/62/75/43/522627543.db2.gz TTYMJQABDGYNBM-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N[C@@H](C)CC(C)C ZINC000050749950 522627878 /nfs/dbraw/zinc/62/78/78/522627878.db2.gz DQMXLEIPLWJRED-JTQLQIEISA-N 0 0 268.788 3.546 10 0 CHAERN COc1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)ccc1F ZINC000187091232 522698600 /nfs/dbraw/zinc/69/86/00/522698600.db2.gz QQBJKQRAGPJYMF-JTQLQIEISA-N 0 0 292.310 3.618 10 0 CHAERN Cc1cnc([C@H](C)Nc2ncc(C(F)(F)F)s2)o1 ZINC000330260761 534659731 /nfs/dbraw/zinc/65/97/31/534659731.db2.gz SWNSSEDRTHZMNU-LURJTMIESA-N 0 0 277.271 3.631 10 0 CHAERN CN(CC[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000054023643 522936174 /nfs/dbraw/zinc/93/61/74/522936174.db2.gz WQCTYYGHBVHQHV-INIZCTEOSA-N 0 0 275.779 3.900 10 0 CHAERN CC[C@@H](Nc1cnn(C(C)C)c1)c1ccc(O)cc1 ZINC000061682523 522964722 /nfs/dbraw/zinc/96/47/22/522964722.db2.gz BGGSSLFEDWVFPQ-OAHLLOKOSA-N 0 0 259.353 3.733 10 0 CHAERN CC[C@@H](Nc1noc(-c2ccccc2)n1)c1ccncc1 ZINC000157698096 522969605 /nfs/dbraw/zinc/96/96/05/522969605.db2.gz QLKACKWKCLAGHB-CQSZACIVSA-N 0 0 280.331 3.695 10 0 CHAERN CCc1sc([C@@H](C)Nc2nccc(C)n2)cc1C ZINC000157784591 523078429 /nfs/dbraw/zinc/07/84/29/523078429.db2.gz NRVWQEKHYDZFTN-LLVKDONJSA-N 0 0 261.394 3.890 10 0 CHAERN COc1ccc(-c2nc(C(C)C)sc2N)cc1OC ZINC000050308878 523189966 /nfs/dbraw/zinc/18/99/66/523189966.db2.gz GGEKAJWUULAPAB-UHFFFAOYSA-N 0 0 278.377 3.533 10 0 CHAERN CC[C@@H]1CC[C@@H](c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)O1 ZINC000299743593 523355923 /nfs/dbraw/zinc/35/59/23/523355923.db2.gz LNGGWAGUHOZXTL-VOAKCMCISA-N 0 0 294.395 3.618 10 0 CHAERN CC[C@H]1C[C@H]1Nc1ccnc2cc(Br)cnc21 ZINC000226999696 523404554 /nfs/dbraw/zinc/40/45/54/523404554.db2.gz MXTBPCADJUFPLU-GZMMTYOYSA-N 0 0 292.180 3.603 10 0 CHAERN COCCC[C@@H](O)C1(c2ccccc2)CCCCC1 ZINC000062782675 523469319 /nfs/dbraw/zinc/46/93/19/523469319.db2.gz GTCOKWQRVQWPFP-MRXNPFEDSA-N 0 0 262.393 3.676 10 0 CHAERN COc1ccc(Br)cc1C[C@H](C(C)=O)C(C)C ZINC000061688047 523502150 /nfs/dbraw/zinc/50/21/50/523502150.db2.gz FDXXJHJEJFYTQV-ZDUSSCGKSA-N 0 0 299.208 3.861 10 0 CHAERN CC[C@@](O)(c1ccccc1)c1cc(Cl)ccc1OC ZINC000055192240 523690434 /nfs/dbraw/zinc/69/04/34/523690434.db2.gz IQFXQYWZZPVIKP-MRXNPFEDSA-N 0 0 276.763 3.995 10 0 CHAERN CCc1c(C)nc(-c2csc3ccccc23)nc1N ZINC000054463128 523711382 /nfs/dbraw/zinc/71/13/82/523711382.db2.gz VXEBVKPDFXXYBJ-UHFFFAOYSA-N 0 0 269.373 3.811 10 0 CHAERN CCc1cc(NC)nc(-c2ccc(Br)s2)n1 ZINC000050865061 523820276 /nfs/dbraw/zinc/82/02/76/523820276.db2.gz VCJVUUTVKINFEA-UHFFFAOYSA-N 0 0 298.209 3.572 10 0 CHAERN COc1ccc(C)cc1[C@H](O)c1cc(F)ccc1C ZINC000055263202 523859895 /nfs/dbraw/zinc/85/98/95/523859895.db2.gz OXBOCBMOSCOJMY-MRXNPFEDSA-N 0 0 260.308 3.533 10 0 CHAERN Cc1coc(SCc2oc(C(C)C)nc2C)n1 ZINC000333211117 534751542 /nfs/dbraw/zinc/75/15/42/534751542.db2.gz BPRWROYXPPTMJU-UHFFFAOYSA-N 0 0 252.339 3.695 10 0 CHAERN CCc1ccc([C@@H](O)[C@@H](C)Oc2ccccc2)cc1 ZINC000055352074 524033218 /nfs/dbraw/zinc/03/32/18/524033218.db2.gz OXPSIZAULXWQNK-DYVFJYSZSA-N 0 0 256.345 3.750 10 0 CHAERN CCc1ccc([C@@H](O)[C@H](C)Oc2ccccc2)cc1 ZINC000055352080 524033911 /nfs/dbraw/zinc/03/39/11/524033911.db2.gz OXPSIZAULXWQNK-GUYCJALGSA-N 0 0 256.345 3.750 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc[nH]c2)o1 ZINC000129414144 524053017 /nfs/dbraw/zinc/05/30/17/524053017.db2.gz QLRMROZQVJVZJE-CQSZACIVSA-N 0 0 272.348 3.538 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc[nH]2)o1 ZINC000129442467 524053401 /nfs/dbraw/zinc/05/34/01/524053401.db2.gz ZLZFUNPRNBZFTM-CQSZACIVSA-N 0 0 272.348 3.538 10 0 CHAERN COc1ccc(COCc2ccco2)cc1Br ZINC000049600911 524119900 /nfs/dbraw/zinc/11/99/00/524119900.db2.gz ORTNPPHXARBPCD-UHFFFAOYSA-N 0 0 297.148 3.768 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)co1 ZINC000188886411 524133679 /nfs/dbraw/zinc/13/36/79/524133679.db2.gz OAEOSWHMEMKINA-BDJLRTHQSA-N 0 0 269.344 3.956 10 0 CHAERN COc1cccc([C@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785590 524166014 /nfs/dbraw/zinc/16/60/14/524166014.db2.gz MCUMZBSYOGUBLR-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN C[C@H]1CCC[C@H](Oc2ccc(C(N)=S)cc2Cl)C1 ZINC000062796439 524210156 /nfs/dbraw/zinc/21/01/56/524210156.db2.gz FTIXCVUJCKOAIY-ONGXEEELSA-N 0 0 283.824 3.932 10 0 CHAERN COc1ccc(F)c(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000088408947 524289373 /nfs/dbraw/zinc/28/93/73/524289373.db2.gz LLKPCHRSNXBDSD-JTQLQIEISA-N 0 0 292.310 3.618 10 0 CHAERN Cc1cc(C=O)ccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000050544885 524608807 /nfs/dbraw/zinc/60/88/07/524608807.db2.gz ZVBDIMFMMCGZDL-WBVHZDCISA-N 0 0 257.377 3.967 10 0 CHAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000253545956 524652021 /nfs/dbraw/zinc/65/20/21/524652021.db2.gz LTAAQMDLDBQFKB-XWUBHJNHSA-N 0 0 293.357 3.715 10 0 CHAERN Cc1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000156982042 524698284 /nfs/dbraw/zinc/69/82/84/524698284.db2.gz RYUYABDHZKVENL-MNOVXSKESA-N 0 0 258.287 3.923 10 0 CHAERN Cc1ccc(F)c([C@H](O)c2ccccc2Br)c1 ZINC000055203399 524835245 /nfs/dbraw/zinc/83/52/45/524835245.db2.gz YXMUIIYBQJFHLH-CQSZACIVSA-N 0 0 295.151 3.978 10 0 CHAERN Cc1ccc(F)c([C@@H](O)CCOc2ccccc2)c1 ZINC000055200761 524835657 /nfs/dbraw/zinc/83/56/57/524835657.db2.gz HGESRGOGSQKKMP-INIZCTEOSA-N 0 0 260.308 3.637 10 0 CHAERN Cc1cc(N)cnc1Oc1cccc2ccccc21 ZINC000052813633 525041638 /nfs/dbraw/zinc/04/16/38/525041638.db2.gz AEKOWPDALXVEQU-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1ccccc1CNc1ccc(C(N)=S)cc1Cl ZINC000062795357 525171066 /nfs/dbraw/zinc/17/10/66/525171066.db2.gz ZEPYLQLCOHADRZ-UHFFFAOYSA-N 0 0 290.819 3.895 10 0 CHAERN COc1ccc([C@@H](O)C2CCC(C)CC2)c(OC)c1 ZINC000055232785 525203964 /nfs/dbraw/zinc/20/39/64/525203964.db2.gz SISOTELGBRLABR-PPUFBPAQSA-N 0 0 264.365 3.564 10 0 CHAERN COc1ccc([C@@H](O)C2=CCCCC2)cc1Br ZINC000050328900 525205521 /nfs/dbraw/zinc/20/55/21/525205521.db2.gz VUYUJCVTZJAAHC-AWEZNQCLSA-N 0 0 297.192 3.992 10 0 CHAERN Cc1ccccc1N(C)c1nc2c(s1)[C@H](O)CCC2 ZINC000054927934 525216720 /nfs/dbraw/zinc/21/67/20/525216720.db2.gz POYNHTUOQZCDCO-CYBMUJFWSA-N 0 0 274.389 3.589 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117560891 525226157 /nfs/dbraw/zinc/22/61/57/525226157.db2.gz BIYCIXQWLXOALT-GUYCJALGSA-N 0 0 281.355 3.807 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(F)c1 ZINC000117566382 525226515 /nfs/dbraw/zinc/22/65/15/525226515.db2.gz AEVCSXYMVHICNO-BZNIZROVSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(N[C@@H]2CCOc3ccccc32)cc1N ZINC000061701978 525313624 /nfs/dbraw/zinc/31/36/24/525313624.db2.gz NBOOWKXCOZKGGA-OAHLLOKOSA-N 0 0 254.333 3.513 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)CCCCc1nc2ccccc2s1 ZINC000075525814 525320853 /nfs/dbraw/zinc/32/08/53/525320853.db2.gz ZTYHODCUEFYYNI-YPMHNXCESA-N 0 0 288.416 3.534 10 0 CHAERN Cc1cc(O[C@H](C)CNCC(F)(F)F)cc(C)c1Cl ZINC000053588144 525382862 /nfs/dbraw/zinc/38/28/62/525382862.db2.gz IHBCILQSZBJFGE-SNVBAGLBSA-N 0 0 295.732 3.876 10 0 CHAERN Cc1cc([C@H](O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000055203278 525541134 /nfs/dbraw/zinc/54/11/34/525541134.db2.gz KOEOWZJQDYTJLQ-AWEZNQCLSA-N 0 0 270.225 3.633 10 0 CHAERN Cc1nc(-c2noc([C@]3(C)CC[C@H](C)C3(C)C)n2)co1 ZINC000333892304 534868370 /nfs/dbraw/zinc/86/83/70/534868370.db2.gz XLAUIEWWYWVTCV-VFZGTOFNSA-N 0 0 275.352 3.747 10 0 CHAERN Cc1ccc(-c2c(N)onc2CC2CCCC2)cc1 ZINC000055332962 525710084 /nfs/dbraw/zinc/71/00/84/525710084.db2.gz ZFVZHWUVXHXJBK-UHFFFAOYSA-N 0 0 256.349 3.965 10 0 CHAERN Cc1ccc([C@@H](C)NCc2nc(C)c(C)s2)o1 ZINC000094965569 525736997 /nfs/dbraw/zinc/73/69/97/525736997.db2.gz JSSBCPBPKTVFEA-SNVBAGLBSA-N 0 0 250.367 3.512 10 0 CHAERN CSCc1cnc(CNc2cscc2C)s1 ZINC000293334363 525763135 /nfs/dbraw/zinc/76/31/35/525763135.db2.gz RVWFDUWDOYLFJI-UHFFFAOYSA-N 0 0 270.448 3.988 10 0 CHAERN CSCc1nc(Cl)cc(-c2ccccc2)n1 ZINC000054494276 525765975 /nfs/dbraw/zinc/76/59/75/525765975.db2.gz FFASNLRQKDGAQL-UHFFFAOYSA-N 0 0 250.754 3.660 10 0 CHAERN C[C@@](O)(Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000050885498 525780133 /nfs/dbraw/zinc/78/01/33/525780133.db2.gz OSWAHLWRLWWVSH-OAHLLOKOSA-N 0 0 266.262 3.554 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(C)nc2)o1 ZINC000127407385 525800211 /nfs/dbraw/zinc/80/02/11/525800211.db2.gz KMUVQTLUVGMCOX-INIZCTEOSA-N 0 0 298.386 3.588 10 0 CHAERN C[C@@H](O)Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000062771338 525845523 /nfs/dbraw/zinc/84/55/23/525845523.db2.gz DWMLXMHJRJUINB-MRVPVSSYSA-N 0 0 254.688 3.662 10 0 CHAERN Cc1ccc([C@H](C)NCc2cccc(Br)n2)o1 ZINC000131049514 525927277 /nfs/dbraw/zinc/92/72/77/525927277.db2.gz RSBKINOEXXTBQH-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN Cc1ccc([C@H](C)N[C@@H](C)c2csc(C)n2)o1 ZINC000036960573 525935442 /nfs/dbraw/zinc/93/54/42/525935442.db2.gz MGIHWNHEGZINER-UWVGGRQHSA-N 0 0 250.367 3.765 10 0 CHAERN Cc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)o1 ZINC000036960084 525940614 /nfs/dbraw/zinc/94/06/14/525940614.db2.gz GRPXSKLBZQJRRQ-GXTWGEPZSA-N 0 0 257.333 3.762 10 0 CHAERN C[C@@H](SCC1CCCC1)C(=O)Nc1ccccc1N ZINC000062835692 525972212 /nfs/dbraw/zinc/97/22/12/525972212.db2.gz IWCXOEZVMZLILC-LLVKDONJSA-N 0 0 278.421 3.519 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2occc2C)o1 ZINC000127438066 525995545 /nfs/dbraw/zinc/99/55/45/525995545.db2.gz YZIILMWSKLXBPE-CYBMUJFWSA-N 0 0 273.332 3.857 10 0 CHAERN Cc1ccc([C@H]2CCCCN2Cc2noc(C(C)C)n2)o1 ZINC000124805987 525996088 /nfs/dbraw/zinc/99/60/88/525996088.db2.gz IWHAMJACKHOLBV-CYBMUJFWSA-N 0 0 289.379 3.822 10 0 CHAERN Cc1cc(-c2noc(N)c2-c2cccs2)c(C)o1 ZINC000052902131 526065236 /nfs/dbraw/zinc/06/52/36/526065236.db2.gz NDCYDWOILFDBSC-UHFFFAOYSA-N 0 0 260.318 3.862 10 0 CHAERN C[C@H](c1ccccc1F)N(C)c1ccc(CO)cc1 ZINC000062015468 526116473 /nfs/dbraw/zinc/11/64/73/526116473.db2.gz HISROKPZJKMNFF-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN C[C@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000163798654 526119370 /nfs/dbraw/zinc/11/93/70/526119370.db2.gz MGPPTWLBCZZJHB-KSSFIOAISA-N 0 0 279.383 3.984 10 0 CHAERN CSc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085628380 526141231 /nfs/dbraw/zinc/14/12/31/526141231.db2.gz AWCCFXCPEZJZHV-MJBXVCDLSA-N 0 0 263.406 3.634 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1cccc(N)c1C ZINC000062723982 526146984 /nfs/dbraw/zinc/14/69/84/526146984.db2.gz USCGWQKMOVAHTC-UHFFFAOYSA-N 0 0 252.361 3.970 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1ncc([C@@H](C)O)s1 ZINC000054910643 526148201 /nfs/dbraw/zinc/14/82/01/526148201.db2.gz ZIFJYSYIFIYBSA-LLVKDONJSA-N 0 0 274.389 3.589 10 0 CHAERN CSc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117566112 526174838 /nfs/dbraw/zinc/17/48/38/526174838.db2.gz WJXOTAFRBTYYEI-ZBEGNZNMSA-N 0 0 299.395 3.912 10 0 CHAERN O[C@H](Cc1ccsc1)c1ccc2ccccc2n1 ZINC000063075783 526297515 /nfs/dbraw/zinc/29/75/15/526297515.db2.gz RDYQLWMQRWZUMM-OAHLLOKOSA-N 0 0 255.342 3.572 10 0 CHAERN Fc1ccc(Cc2nc(Cl)cc(Cl)n2)cc1 ZINC000058049129 526344615 /nfs/dbraw/zinc/34/46/15/526344615.db2.gz FBNHBFOOTZPAIK-UHFFFAOYSA-N 0 0 257.095 3.513 10 0 CHAERN Cc1nc(-c2ccc(Cl)cc2)nc(N)c1C(C)C ZINC000061687315 526572298 /nfs/dbraw/zinc/57/22/98/526572298.db2.gz BLUVPSDSWGNNCE-UHFFFAOYSA-N 0 0 261.756 3.811 10 0 CHAERN Brc1ccc(N2CCC[C@H]2c2ccco2)nc1 ZINC000301374522 526643427 /nfs/dbraw/zinc/64/34/27/526643427.db2.gz RPZDEIODCLOGAC-NSHDSACASA-N 0 0 293.164 3.779 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccc(N)cc2F)s1 ZINC000049533717 526747212 /nfs/dbraw/zinc/74/72/12/526747212.db2.gz UNXAVEMQPIUXPS-MRVPVSSYSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2cccc(F)c2N)s1 ZINC000049533763 526748108 /nfs/dbraw/zinc/74/81/08/526748108.db2.gz VUVFAIQRCIIVIR-MRVPVSSYSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2ccc(N)cc2F)s1 ZINC000049533718 526756272 /nfs/dbraw/zinc/75/62/72/526756272.db2.gz UNXAVEMQPIUXPS-QMMMGPOBSA-N 0 0 265.357 3.654 10 0 CHAERN O=C(c1cccc(F)c1)c1ccc(F)cc1Cl ZINC000061845563 526765344 /nfs/dbraw/zinc/76/53/44/526765344.db2.gz LHGYGNVXAAPODQ-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN Cc1occc1CN(C)c1ccc(C(N)=S)c(Cl)c1 ZINC000061849504 526827593 /nfs/dbraw/zinc/82/75/93/526827593.db2.gz YGEKXBOWANTEBF-UHFFFAOYSA-N 0 0 294.807 3.512 10 0 CHAERN O=C(c1ccsc1)c1cccc(OC(F)(F)F)c1 ZINC000061703288 526862652 /nfs/dbraw/zinc/86/26/52/526862652.db2.gz SOLFMUNUEPSYSN-UHFFFAOYSA-N 0 0 272.247 3.878 10 0 CHAERN Cc1sc(C(=O)N[C@@H]2CCCc3sccc32)cc1N ZINC000061330502 526873150 /nfs/dbraw/zinc/87/31/50/526873150.db2.gz QUBPTBHWIVXPAK-LLVKDONJSA-N 0 0 292.429 3.508 10 0 CHAERN Cc1nc(CNc2nc3cc(C)ccc3s2)cs1 ZINC000049534232 526901490 /nfs/dbraw/zinc/90/14/90/526901490.db2.gz GWZYVBVRKBKDHU-UHFFFAOYSA-N 0 0 275.402 3.982 10 0 CHAERN Cc1nc(Cc2cc(F)cc(F)c2)nc(Cl)c1C ZINC000049348168 526926824 /nfs/dbraw/zinc/92/68/24/526926824.db2.gz OPDJDVVERSCNDK-UHFFFAOYSA-N 0 0 268.694 3.616 10 0 CHAERN O=C(COc1ccc(Br)cc1)c1cccs1 ZINC000048102167 526948021 /nfs/dbraw/zinc/94/80/21/526948021.db2.gz IJSQTAFPWZXNRT-UHFFFAOYSA-N 0 0 297.173 3.772 10 0 CHAERN Clc1nnc(NCC2CCCC2)c2ccccc12 ZINC000050529310 527012875 /nfs/dbraw/zinc/01/28/75/527012875.db2.gz VGAQCAMSUKFASM-UHFFFAOYSA-N 0 0 261.756 3.885 10 0 CHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cc[nH]c1 ZINC000129806591 527016820 /nfs/dbraw/zinc/01/68/20/527016820.db2.gz DQYNUZOOFIUWJN-HNNXBMFYSA-N 0 0 296.370 3.581 10 0 CHAERN O=C(Nc1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116480541 527120868 /nfs/dbraw/zinc/12/08/68/527120868.db2.gz IPOWCBSQFWVMRS-CYBMUJFWSA-N 0 0 292.285 3.927 10 0 CHAERN Cc1ncc(Cn2c3cccc(F)c3[nH]c2=S)s1 ZINC000049534135 527287756 /nfs/dbraw/zinc/28/77/56/527287756.db2.gz BVLMXCUDLIJLHU-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN O=C(Cc1cccs1)Cc1cccc(Br)c1 ZINC000052900097 527300569 /nfs/dbraw/zinc/30/05/69/527300569.db2.gz UEOUKTMJTVNPMU-UHFFFAOYSA-N 0 0 295.201 3.865 10 0 CHAERN O=C(Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052900088 527300099 /nfs/dbraw/zinc/30/00/99/527300099.db2.gz SMBVIFQXPFGEEM-UHFFFAOYSA-N 0 0 250.750 3.756 10 0 CHAERN Nc1n[nH]c(-c2cc(F)ccc2F)c1-c1cccs1 ZINC000052901501 527422502 /nfs/dbraw/zinc/42/25/02/527422502.db2.gz PDGVYOAKBNQMEW-UHFFFAOYSA-N 0 0 277.299 3.666 10 0 CHAERN OC1(c2cccc(OC(F)(F)F)c2)CCCCC1 ZINC000061703152 527513493 /nfs/dbraw/zinc/51/34/93/527513493.db2.gz ZSWSLKFHGBATJZ-UHFFFAOYSA-N 0 0 260.255 3.737 10 0 CHAERN Nc1cccc(Cl)c1NCc1ccc(F)cc1F ZINC000051017065 527518841 /nfs/dbraw/zinc/51/88/41/527518841.db2.gz FKXALPQPNYCLRC-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Nc1onc(C2CC2)c1-c1ccccc1Br ZINC000055334331 527581708 /nfs/dbraw/zinc/58/17/08/527581708.db2.gz GUPRFCKYTADPSG-UHFFFAOYSA-N 0 0 279.137 3.564 10 0 CHAERN OCc1ccc2c(Cl)c(Cl)cc(Cl)c2n1 ZINC000057348647 527634452 /nfs/dbraw/zinc/63/44/52/527634452.db2.gz MIELXYHLGRZGHN-UHFFFAOYSA-N 0 0 262.523 3.687 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1F)Cc1ccccc1Cl ZINC000050885841 527664276 /nfs/dbraw/zinc/66/42/76/527664276.db2.gz VWLWMMGTOBMAOB-CYBMUJFWSA-N 0 0 282.717 3.764 10 0 CHAERN O[C@@H](c1ccsc1)c1cccc(OC(F)(F)F)c1 ZINC000061703356 527667382 /nfs/dbraw/zinc/66/73/82/527667382.db2.gz NUHYWYWYEPOSAB-LLVKDONJSA-N 0 0 274.263 3.728 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(OC(F)F)c1 ZINC000087407951 527697878 /nfs/dbraw/zinc/69/78/78/527697878.db2.gz YVLNFGMNVLGJPV-SECBINFHSA-N 0 0 281.306 3.503 10 0 CHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000330073884 528489270 /nfs/dbraw/zinc/48/92/70/528489270.db2.gz KTWSBOJIQUZMDR-BFHYXJOUSA-N 0 0 290.411 3.506 10 0 CHAERN Brc1cccn2cc(-c3cccs3)nc12 ZINC000228026123 570244737 /nfs/dbraw/zinc/24/47/37/570244737.db2.gz UROGBVPPQKMIQP-UHFFFAOYSA-N 0 0 279.162 3.825 10 0 CHAERN Fc1ccc2c(Cl)ncc(Br)c2c1 ZINC000218396715 570309245 /nfs/dbraw/zinc/30/92/45/570309245.db2.gz HEEKCRCCDOUMCK-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Cc1cc(Br)ccc1[C@@]1(O)CC[C@@H](C)C1 ZINC000521401751 570340164 /nfs/dbraw/zinc/34/01/64/570340164.db2.gz NLCHEJDZPLUIJL-NOZJJQNGSA-N 0 0 269.182 3.765 10 0 CHAERN C[C@H]1C(=O)CC[C@H]1Sc1cccc(Br)c1 ZINC000083000640 566962076 /nfs/dbraw/zinc/96/20/76/566962076.db2.gz XZADRCVHKNRVCW-QPUJVOFHSA-N 0 0 285.206 3.909 10 0 CHAERN Nc1c(F)ccc(-c2ccc(C(F)(F)F)cn2)c1F ZINC000675059948 567022659 /nfs/dbraw/zinc/02/26/59/567022659.db2.gz YQTZMZWTXAZKOW-UHFFFAOYSA-N 0 0 274.192 3.628 10 0 CHAERN O=Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000003676480 567853531 /nfs/dbraw/zinc/85/35/31/567853531.db2.gz UILXHAOEWSAUCD-UHFFFAOYSA-N 0 0 258.129 3.929 10 0 CHAERN Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C=O ZINC000003885109 567854245 /nfs/dbraw/zinc/85/42/45/567854245.db2.gz PGCLRPPPHZSBNM-UHFFFAOYSA-N 0 0 296.301 3.925 10 0 CHAERN C[C@H]1CCNc2c(Br)c(CC(C)(C)C)nn21 ZINC000235569547 567886800 /nfs/dbraw/zinc/88/68/00/567886800.db2.gz QMKFMUMOVCBOKX-QMMMGPOBSA-N 0 0 286.217 3.611 10 0 CHAERN Brc1ccc2nc(NC3CC3)sc2c1 ZINC000034936110 567888983 /nfs/dbraw/zinc/88/89/83/567888983.db2.gz UPZGKHROVUGTTE-UHFFFAOYSA-N 0 0 269.167 3.633 10 0 CHAERN O=Cc1cn(Cc2cc(F)ccc2F)c2ccccc12 ZINC000073690692 567902878 /nfs/dbraw/zinc/90/28/78/567902878.db2.gz ITZHXFRFOSEFFS-UHFFFAOYSA-N 0 0 271.266 3.780 10 0 CHAERN Cc1nc(Cl)c(C)c(Cl)c1Br ZINC000079045968 567906264 /nfs/dbraw/zinc/90/62/64/567906264.db2.gz SMGJHWRSMIRDBR-UHFFFAOYSA-N 0 0 254.942 3.768 10 0 CHAERN C=Cc1ccc(-c2cc(F)cc(C(=O)OC)c2)cc1 ZINC000725241237 567907740 /nfs/dbraw/zinc/90/77/40/567907740.db2.gz FHXHJROQDQAZSM-UHFFFAOYSA-N 0 0 256.276 3.922 10 0 CHAERN CCCc1cc2nc(CC(C)C)nn2c(Cl)c1 ZINC000725245218 567908233 /nfs/dbraw/zinc/90/82/33/567908233.db2.gz BKFKQYWJIJTHBH-UHFFFAOYSA-N 0 0 251.761 3.534 10 0 CHAERN FC1(F)CC(c2nc3cc(C4CC4)cc(Cl)n3n2)C1 ZINC000725245662 567908301 /nfs/dbraw/zinc/90/83/01/567908301.db2.gz KZLNVSVIXZWAJD-UHFFFAOYSA-N 0 0 283.709 3.773 10 0 CHAERN Cc1cc2nc(C(F)F)nn2c(Cl)c1C(C)C ZINC000725246754 567908486 /nfs/dbraw/zinc/90/84/86/567908486.db2.gz VTUAULYKAHDUMG-UHFFFAOYSA-N 0 0 259.687 3.752 10 0 CHAERN CCCCCc1nc2cc(CC)cc(Cl)n2n1 ZINC000725246763 567908545 /nfs/dbraw/zinc/90/85/45/567908545.db2.gz WCKFGIONGOQTPY-UHFFFAOYSA-N 0 0 251.761 3.678 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(C)(C)c2cc(N)ccc21 ZINC000095635378 567909572 /nfs/dbraw/zinc/90/95/72/567909572.db2.gz KVPSSEZRIDVILP-UHFFFAOYSA-N 0 0 276.380 3.692 10 0 CHAERN C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253880 567911567 /nfs/dbraw/zinc/91/15/67/567911567.db2.gz OLIPXRLHQPMRSF-VXGBXAGGSA-N 0 0 261.365 3.706 10 0 CHAERN COc1ccc2c(c1)[C@@H](CC(=O)OC(C)(C)C)C[C@@H](C)N2 ZINC000725253986 567912397 /nfs/dbraw/zinc/91/23/97/567912397.db2.gz XNIVNUDJEKZZQN-VXGBXAGGSA-N 0 0 291.391 3.715 10 0 CHAERN Fc1cc(Br)cc2snc(Cl)c21 ZINC000725254166 567912879 /nfs/dbraw/zinc/91/28/79/567912879.db2.gz OSIDJJAWGITNKA-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2csc(C=O)c2)n1 ZINC000725271099 567924651 /nfs/dbraw/zinc/92/46/51/567924651.db2.gz XNUJILCCKUGNAR-UHFFFAOYSA-N 0 0 270.304 3.943 10 0 CHAERN Clc1nc(C2CCC2)nc2[nH]cc(Br)c21 ZINC000584880731 570228638 /nfs/dbraw/zinc/22/86/38/570228638.db2.gz CHIFJQKQEGHFEE-UHFFFAOYSA-N 0 0 286.560 3.593 10 0 CHAERN Brc1c2c(nn1Cc1ccccc1)CCCC2 ZINC000584880954 570229086 /nfs/dbraw/zinc/22/90/86/570229086.db2.gz TUAAWPRJAADWRY-UHFFFAOYSA-N 0 0 291.192 3.573 10 0 CHAERN CCC(CC)c1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725243223 570255063 /nfs/dbraw/zinc/25/50/63/570255063.db2.gz QKNXMNVHLTYDSE-UHFFFAOYSA-N 0 0 261.369 3.770 10 0 CHAERN Fc1ccc(Nc2nc(Cl)ncc2Cl)cc1 ZINC000086621779 570329252 /nfs/dbraw/zinc/32/92/52/570329252.db2.gz XBRSOMKUVTXYSJ-UHFFFAOYSA-N 0 0 258.083 3.666 10 0 CHAERN C[C@@H]1CC[C@@](O)(c2ccccc2Br)CS1 ZINC000521401881 570340415 /nfs/dbraw/zinc/34/04/15/570340415.db2.gz SCYGLWVKKBFGFW-SKDRFNHKSA-N 0 0 287.222 3.552 10 0 CHAERN Cc1cc(C)c2cc(C)c(Br)cc2n1 ZINC000669371887 570350621 /nfs/dbraw/zinc/35/06/21/570350621.db2.gz AMGAVNVKNULBKU-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN COc1cc2c(C)cc(C)nc2cc1Br ZINC000669371900 570350669 /nfs/dbraw/zinc/35/06/69/570350669.db2.gz AZIBGDFZJSCTEI-UHFFFAOYSA-N 0 0 266.138 3.623 10 0 CHAERN CCc1cc(C)nc2cc(Br)ccc12 ZINC000669372710 570350974 /nfs/dbraw/zinc/35/09/74/570350974.db2.gz XIMOWQXCJPNJFO-UHFFFAOYSA-N 0 0 250.139 3.868 10 0 CHAERN Cc1cc(-c2ccc(C=O)c(F)c2)c(C)cc1C=O ZINC000675073202 570366923 /nfs/dbraw/zinc/36/69/23/570366923.db2.gz URXQKDMZMMRMKM-UHFFFAOYSA-N 0 0 256.276 3.735 10 0 CHAERN CCc1cc(C)nc2ccc(Br)cc12 ZINC000204346174 570410627 /nfs/dbraw/zinc/41/06/27/570410627.db2.gz KTAGOKPEYPWDEA-UHFFFAOYSA-N 0 0 250.139 3.868 10 0 CHAERN CCC[C@H](C)c1nn2c(c1Br)NCC[C@@H]2C ZINC000233342389 570411407 /nfs/dbraw/zinc/41/14/07/570411407.db2.gz QEQPYFWTBIVIQS-IUCAKERBSA-N 0 0 286.217 3.926 10 0 CHAERN CC(C)c1[nH]nc(N)c1-c1cccc(Br)c1 ZINC000036766113 570411438 /nfs/dbraw/zinc/41/14/38/570411438.db2.gz DNBMYMBWOHJIAN-UHFFFAOYSA-N 0 0 280.169 3.545 10 0 CHAERN CC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)c1 ZINC000405906108 570411456 /nfs/dbraw/zinc/41/14/56/570411456.db2.gz TZLFOYXGYGADGW-UHFFFAOYSA-N 0 0 269.728 3.890 10 0 CHAERN CC(=O)OC/C(C)=C\CC[C@]1(C)C2C[C@@H]3[C@H](C2)C31C ZINC000095866536 571800723 /nfs/dbraw/zinc/80/07/23/571800723.db2.gz IXRPKRWXUJOOBZ-AVMVYAPKSA-N 0 0 262.393 3.958 10 0 endogenous,in-man CHAERN CCC1([NH2+]Cc2csc(C(=O)[O-])c2)CCCCC1 ZINC000689080610 976207012 /nfs/dbraw/zinc/20/70/12/976207012.db2.gz IAAKOBXZBCKIHQ-UHFFFAOYSA-N 0 0 267.394 3.649 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000701831550 977046411 /nfs/dbraw/zinc/04/64/11/977046411.db2.gz QBWRFADDOIMCJR-DOMZBBRYSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCCCCC(F)(F)F ZINC000588455279 1118801319 /nfs/dbraw/zinc/80/13/19/1118801319.db2.gz XCLIXBYLVKCNGQ-SREVYHEPSA-N 0 0 287.281 3.679 10 0 CHAERN CCO[C@H](C)C(=O)Oc1ccc([C@@H](C)CC)cc1 ZINC000103637204 1131855911 /nfs/dbraw/zinc/85/59/11/1131855911.db2.gz MQRDVMGJKMCRCJ-NWDGAFQWSA-N 0 0 250.338 3.531 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C)cc2)cs1 ZINC000187078356 1126908347 /nfs/dbraw/zinc/90/83/47/1126908347.db2.gz DOQXRQZBGBFLRL-HNNXBMFYSA-N 0 0 286.400 3.737 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccc(F)cc2)cs1 ZINC000189781196 1126934745 /nfs/dbraw/zinc/93/47/45/1126934745.db2.gz YQPURIDDZCSXFA-HNNXBMFYSA-N 0 0 276.380 3.928 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000366479437 1127747079 /nfs/dbraw/zinc/74/70/79/1127747079.db2.gz NNJWMTVUAHENOQ-WFASDCNBSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\c2ccccc2Cl)C[C@H](C)O1 ZINC000588448675 1118788503 /nfs/dbraw/zinc/78/85/03/1118788503.db2.gz LAQLAGKSMVPDOM-DMSVFENISA-N 0 0 294.778 3.852 10 0 CHAERN C/C(=C/C(=O)OCCC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000588448807 1118788550 /nfs/dbraw/zinc/78/85/50/1118788550.db2.gz JGAKGLZJQULNKQ-BFFYNSAMSA-N 0 0 292.350 3.731 10 0 CHAERN Cc1ccc(NC(=O)/C=C\c2ncccc2C)cc1C ZINC000588451431 1118797025 /nfs/dbraw/zinc/79/70/25/1118797025.db2.gz QHZYUFNNDLQMCG-HJWRWDBZSA-N 0 0 266.344 3.659 10 0 CHAERN CCCCN(C(=O)/C=C\c1ncccc1C)[C@H](C)CC ZINC000588451849 1118798404 /nfs/dbraw/zinc/79/84/04/1118798404.db2.gz LIVIENSDBZKIIU-JQPIKURYSA-N 0 0 274.408 3.830 10 0 CHAERN CCN(C(=O)/C=C\c1ncccc1C)c1ccccc1C ZINC000588452244 1118798459 /nfs/dbraw/zinc/79/84/59/1118798459.db2.gz BVBPARFDUCYACM-QXMHVHEDSA-N 0 0 280.371 3.765 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)c1ccccc1F ZINC000588453957 1118799848 /nfs/dbraw/zinc/79/98/48/1118799848.db2.gz JOYGVFYMEVMTSQ-XPSMFNQNSA-N 0 0 285.318 3.847 10 0 CHAERN CC(C)(C)/C=C\C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000588472586 1118894532 /nfs/dbraw/zinc/89/45/32/1118894532.db2.gz UFWBONSVINPPDO-ZWLSGLHFSA-N 0 0 283.371 3.696 10 0 CHAERN CC(C)(C)/C=C\C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000588504619 1119013011 /nfs/dbraw/zinc/01/30/11/1119013011.db2.gz KODJBICISQVYOW-HJWRWDBZSA-N 0 0 269.388 3.663 10 0 CHAERN O=C(/C=C\c1ccc(O)cc1)NCc1ccc(C2CC2)cc1 ZINC000588583931 1119420961 /nfs/dbraw/zinc/42/09/61/1119420961.db2.gz KUGIZVRACPCOCK-XGICHPGQSA-N 0 0 293.366 3.599 10 0 CHAERN Cc1cc(C)cc(OCC(=O)Oc2cc(C)cc(C)c2)c1 ZINC000003154585 1119662638 /nfs/dbraw/zinc/66/26/38/1119662638.db2.gz LJLSSRXYJGVWCG-UHFFFAOYSA-N 0 0 284.355 3.905 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)o1 ZINC000332787511 1121473797 /nfs/dbraw/zinc/47/37/97/1121473797.db2.gz NNONRUSQGWFRKI-LJISPDSOSA-N 0 0 290.407 3.767 10 0 CHAERN C[C@@H]1C[C@H]1C(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000103808641 1122096726 /nfs/dbraw/zinc/09/67/26/1122096726.db2.gz BUZUJTVVSNWLPB-XFJVYGCCSA-N 0 0 285.318 3.509 10 0 CHAERN CC[C@@H](C)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103845817 1122259522 /nfs/dbraw/zinc/25/95/22/1122259522.db2.gz PAAWBIBPNFNAQH-SNVBAGLBSA-N 0 0 286.331 3.566 10 0 CHAERN CCc1nc(CNCc2nc(C(C)(C)C)cs2)cs1 ZINC000105498131 1123053742 /nfs/dbraw/zinc/05/37/42/1123053742.db2.gz QFXCAYKIVMMMNX-UHFFFAOYSA-N 0 0 295.477 3.749 10 0 CHAERN O=C(/C=C/c1ccc(Cl)cc1)OCCc1cccnc1 ZINC000105555596 1123055883 /nfs/dbraw/zinc/05/58/83/1123055883.db2.gz DYEWFEUSBQAMGQ-VMPITWQZSA-N 0 0 287.746 3.534 10 0 CHAERN C/C(=C/C(=O)Oc1ccccc1OC(F)F)C1CC1 ZINC000105982452 1123095168 /nfs/dbraw/zinc/09/51/68/1123095168.db2.gz DYVGEOSFKGISNO-HJWRWDBZSA-N 0 0 268.259 3.550 10 0 CHAERN O=C(Nc1ccc(O)cc1)c1cccn1C1CCCC1 ZINC000182420215 1123173067 /nfs/dbraw/zinc/17/30/67/1123173067.db2.gz QEUGJQPWPUDINT-UHFFFAOYSA-N 0 0 270.332 3.561 10 0 CHAERN Cc1nc(-c2noc([C@@H]3C[C@H](C)CC(C)(C)C3)n2)co1 ZINC000329691293 1123645884 /nfs/dbraw/zinc/64/58/84/1123645884.db2.gz WHCOPBNHGLCYCW-GXSJLCMTSA-N 0 0 275.352 3.963 10 0 CHAERN CC(C)n1cc2cc(NC(=O)N3C[C@H]4CCC[C@@H]43)ccc2n1 ZINC000329915467 1123657381 /nfs/dbraw/zinc/65/73/81/1123657381.db2.gz DBVQBFAMUXJKEC-WBMJQRKESA-N 0 0 298.390 3.633 10 0 CHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2nc(C)ns2)o1 ZINC000301967747 1123947431 /nfs/dbraw/zinc/94/74/31/1123947431.db2.gz WTHGESJUGITMJW-SKDRFNHKSA-N 0 0 277.393 3.726 10 0 CHAERN CC[C@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191197552 1125323254 /nfs/dbraw/zinc/32/32/54/1125323254.db2.gz GFQAGKLFUIZNMZ-RYUDHWBXSA-N 0 0 281.346 3.717 10 0 CHAERN CCOc1c(C)cc(COC(=O)c2cscn2)cc1C ZINC000103337381 1129745990 /nfs/dbraw/zinc/74/59/90/1129745990.db2.gz SUYLVYVIKOQZKM-UHFFFAOYSA-N 0 0 291.372 3.516 10 0 CHAERN CCc1cccc(OC(=O)c2cc3c(s2)CCOC3)c1 ZINC000103329503 1129748005 /nfs/dbraw/zinc/74/80/05/1129748005.db2.gz CQPBBJRFWUHOBX-UHFFFAOYSA-N 0 0 288.368 3.602 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([S@](C)=O)cc1 ZINC000103668998 1131959239 /nfs/dbraw/zinc/95/92/39/1131959239.db2.gz KQQDXGPJBHIDKK-UFAGZECESA-N 0 0 294.416 3.550 10 0 CHAERN Cc1ccc2c(c1C)N(C(=O)OC(C)C)CCCC2=O ZINC000095626877 185016170 /nfs/dbraw/zinc/01/61/70/185016170.db2.gz PTXRLRQPXFZCBG-UHFFFAOYSA-N 0 0 275.348 3.631 10 0 CHAERN CCC(O)(CC)c1ccc(C)cc1Br ZINC000095616764 185016268 /nfs/dbraw/zinc/01/62/68/185016268.db2.gz RQJANBDSOQFDII-UHFFFAOYSA-N 0 0 257.171 3.765 10 0 CHAERN CCCCCOc1ccc(I)cc1 ZINC000082441945 178021682 /nfs/dbraw/zinc/02/16/82/178021682.db2.gz NCRZCKQZEMXEJQ-UHFFFAOYSA-N 0 0 290.144 3.860 10 0 CHAERN CSc1cccc(OC2CC2)c1Br ZINC000095733147 185023374 /nfs/dbraw/zinc/02/33/74/185023374.db2.gz ZYFYSIMYRVQTIV-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN FC(F)(F)c1ccc(Cl)nc1Br ZINC000095763742 185026482 /nfs/dbraw/zinc/02/64/82/185026482.db2.gz UOINFIUIBZWLGO-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN CC(C)c1nc(Cl)cc(NC2CCCCC2)n1 ZINC000082509600 178076094 /nfs/dbraw/zinc/07/60/94/178076094.db2.gz BFLVBRFGFFQHJL-UHFFFAOYSA-N 0 0 253.777 3.998 10 0 CHAERN Cc1sc(NC(=O)OC(C)(C)C)nc1Br ZINC000095830055 185028836 /nfs/dbraw/zinc/02/88/36/185028836.db2.gz IAUWEIYCHDEMNJ-UHFFFAOYSA-N 0 0 293.186 3.561 10 0 CHAERN COc1cc(-c2ccncc2)c(OC)cc1-c1ccncc1 ZINC000095911120 185031124 /nfs/dbraw/zinc/03/11/24/185031124.db2.gz QFLTVIGJZBWUMK-UHFFFAOYSA-N 0 0 292.338 3.828 10 0 CHAERN Cc1cc(Nc2ccc(Br)c(C)c2)ncc1N ZINC000082586895 178123876 /nfs/dbraw/zinc/12/38/76/178123876.db2.gz GFOWHUJIVXQNSB-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN FC(F)(Oc1cccnc1)c1nc2ccccc2s1 ZINC000095930971 185032935 /nfs/dbraw/zinc/03/29/35/185032935.db2.gz QSRXUYMKVLUZTB-UHFFFAOYSA-N 0 0 278.283 3.820 10 0 CHAERN CC[C@H](C)NC(=O)/C=C\c1ccc(C)c(Cl)c1 ZINC000095935844 185033171 /nfs/dbraw/zinc/03/31/71/185033171.db2.gz ANKMMGWNBUGITK-TVRMLOFPSA-N 0 0 251.757 3.576 10 0 CHAERN CN(C)c1cccc(NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000082712456 178225420 /nfs/dbraw/zinc/22/54/20/178225420.db2.gz MMUHOVYOXHOAOK-MRXNPFEDSA-N 0 0 290.794 3.552 10 0 CHAERN Cc1cc2c(Br)cccc2c(Cl)n1 ZINC000082766613 178280571 /nfs/dbraw/zinc/28/05/71/178280571.db2.gz CUGJYSHXFRGLJG-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1ccc(C)c2c(C)cc(Br)nc12 ZINC000082788557 178293692 /nfs/dbraw/zinc/29/36/92/178293692.db2.gz XIIXMWWCOHPBCA-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN Cc1cc(Cl)c2c(Br)c(O)ccc2n1 ZINC000082788777 178294217 /nfs/dbraw/zinc/29/42/17/178294217.db2.gz IOHJEWARGLSMTQ-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN Cc1cc([C@H](O)c2cccs2)ccc1Br ZINC000083140076 178340830 /nfs/dbraw/zinc/34/08/30/178340830.db2.gz FRIYVIIYUZIVNH-LBPRGKRZSA-N 0 0 283.190 3.901 10 0 CHAERN Cc1cc(C)c(C(=O)C2CC2)c(C)c1Br ZINC000083229181 178362158 /nfs/dbraw/zinc/36/21/58/178362158.db2.gz MWDVPENAHKTUHE-UHFFFAOYSA-N 0 0 267.166 3.967 10 0 CHAERN COC(=O)c1nc(C)sc1-c1cccc(Cl)c1 ZINC000083239197 178366121 /nfs/dbraw/zinc/36/61/21/178366121.db2.gz GYBAYCMOZIBEDF-UHFFFAOYSA-N 0 0 267.737 3.559 10 0 CHAERN Cc1ccnc(Cl)c1NCc1cccc(F)c1 ZINC000083383935 178387222 /nfs/dbraw/zinc/38/72/22/178387222.db2.gz TXSFACFIEPVPEZ-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CC(C)(C)c2ccc(N)cc21 ZINC000083254924 178371051 /nfs/dbraw/zinc/37/10/51/178371051.db2.gz BXRBRLKQFCQTGE-CYBMUJFWSA-N 0 0 276.380 3.516 10 0 CHAERN C[C@@H](CNc1nc2ccccc2[nH]1)c1ccccc1 ZINC000083385228 178393273 /nfs/dbraw/zinc/39/32/73/178393273.db2.gz MKMYLKDAPMIHDU-LBPRGKRZSA-N 0 0 251.333 3.779 10 0 CHAERN CC(=O)Oc1cn(Cc2ccccc2)c2c1cccc2C ZINC000096675612 185109794 /nfs/dbraw/zinc/10/97/94/185109794.db2.gz SOIJBSIAEYTIPA-UHFFFAOYSA-N 0 0 279.339 3.923 10 0 CHAERN Clc1ccc(-c2cc(Br)ncn2)cc1 ZINC000096945813 185136156 /nfs/dbraw/zinc/13/61/56/185136156.db2.gz XEARFUDFRSSENR-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1ccc2c(c1)-c1nc(Br)sc1C2 ZINC000096948107 185137553 /nfs/dbraw/zinc/13/75/53/185137553.db2.gz FEZPTZDACSLWNU-UHFFFAOYSA-N 0 0 266.163 3.785 10 0 CHAERN O=Cc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000096960489 185142175 /nfs/dbraw/zinc/14/21/75/185142175.db2.gz KYTMIHFMZZUEMY-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN O=Cc1cccnc1-c1cc(Cl)cc(Cl)c1 ZINC000096960051 185142332 /nfs/dbraw/zinc/14/23/32/185142332.db2.gz FWXMYZHYRSLGKG-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN CCc1c[nH]c(SCc2oc(C(C)C)nc2C)n1 ZINC000333203504 529664388 /nfs/dbraw/zinc/66/43/88/529664388.db2.gz ADKNHJJLHIXMLG-UHFFFAOYSA-N 0 0 265.382 3.684 10 0 CHAERN C[C@]1(O)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@H]4CO)CC[C@H]12 ZINC000014615080 290719635 /nfs/dbraw/zinc/71/96/35/290719635.db2.gz LZAZGDZVFQSCFO-BRMCIRSCSA-N 0 0 292.463 3.753 10 0 CHAERN O=C1c2cc(Cl)ccc2CCN1Cc1ccccc1 ZINC000098179791 185698432 /nfs/dbraw/zinc/69/84/32/185698432.db2.gz GTNKXQWUSZGBGO-UHFFFAOYSA-N 0 0 271.747 3.539 10 0 CHAERN O=c1ncn(-c2cc(Cl)ccc2Cl)c2ccccc12 ZINC000098180574 185698885 /nfs/dbraw/zinc/69/88/85/185698885.db2.gz YGLSAIXBFSAXBW-UHFFFAOYSA-N 0 0 291.137 3.693 10 0 CHAERN CCCNc1ccc(Cl)cc1C(=O)NCCC(C)C ZINC000103971222 185870964 /nfs/dbraw/zinc/87/09/64/185870964.db2.gz WCOMNCUMKTYNNY-UHFFFAOYSA-N 0 0 282.815 3.938 10 0 CHAERN Nc1ccc(Oc2cnnc3ccccc32)cc1Cl ZINC000104108223 185896772 /nfs/dbraw/zinc/89/67/72/185896772.db2.gz JKYKWGNNDOHCAN-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN CCOc1cc(Oc2cccc(F)c2)c(N)cc1F ZINC000104131577 185902429 /nfs/dbraw/zinc/90/24/29/185902429.db2.gz PPNRRQJNLMSFHO-UHFFFAOYSA-N 0 0 265.259 3.738 10 0 CHAERN Cc1cc(C)c(C(N)=S)c(Nc2ccc(Cl)cc2)n1 ZINC000104171499 185915956 /nfs/dbraw/zinc/91/59/56/185915956.db2.gz GYNZGNWCVLCJPP-UHFFFAOYSA-N 0 0 291.807 3.730 10 0 CHAERN CCc1c(Cl)ncnc1Nc1ccc(C)cc1F ZINC000104221291 185935473 /nfs/dbraw/zinc/93/54/73/185935473.db2.gz MXXGKWLADLNWLF-UHFFFAOYSA-N 0 0 265.719 3.884 10 0 CHAERN Cc1ccc(C[C@@H](O)CCc2cccs2)cc1C ZINC000104279654 185953574 /nfs/dbraw/zinc/95/35/74/185953574.db2.gz LUVCWLMVLOSKFO-HNNXBMFYSA-N 0 0 260.402 3.901 10 0 CHAERN Ic1cccc2sccc21 ZINC000089195300 179750328 /nfs/dbraw/zinc/75/03/28/179750328.db2.gz SYQQTMAWMKRTND-UHFFFAOYSA-N 0 0 260.099 3.506 10 0 CHAERN Cc1nc(-c2ccc(Cl)cc2Cl)cc2c1CNC2=O ZINC000089212267 179756542 /nfs/dbraw/zinc/75/65/42/179756542.db2.gz QQNBVEGRSIPXLX-UHFFFAOYSA-N 0 0 293.153 3.607 10 0 CHAERN Nc1cccc(Cl)c1COc1ccc(F)cc1 ZINC000104314591 185965049 /nfs/dbraw/zinc/96/50/49/185965049.db2.gz ILIMJXLIQOOROM-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN CCOC(CCn1ccc2c1cccc2C)OCC ZINC000104347341 185977301 /nfs/dbraw/zinc/97/73/01/185977301.db2.gz VEVWWVWJBAVLDR-UHFFFAOYSA-N 0 0 261.365 3.739 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1[C@H](O)Cc1ccccc1F ZINC000104380010 185986844 /nfs/dbraw/zinc/98/68/44/185986844.db2.gz WBORRJLDFMNZRS-IVMMDQJWSA-N 0 0 250.357 3.946 10 0 CHAERN Cc1ccnc([C@@H](O)Cc2ccc(Cl)cc2Cl)c1 ZINC000104421166 185996187 /nfs/dbraw/zinc/99/61/87/185996187.db2.gz HOBWMLXHUCJXBX-AWEZNQCLSA-N 0 0 282.170 3.973 10 0 CHAERN COc1ccc2c(c1)cc(-c1nc(C3CC3)cs1)[nH]c2=O ZINC000090548336 180001726 /nfs/dbraw/zinc/00/17/26/180001726.db2.gz HONXCODLKXKEQC-UHFFFAOYSA-N 0 0 298.367 3.538 10 0 CHAERN CSC(=S)OCc1ccc(Br)cc1 ZINC000090556827 180003735 /nfs/dbraw/zinc/00/37/35/180003735.db2.gz PZBHVLFERMVEAT-UHFFFAOYSA-N 0 0 277.208 3.614 10 0 CHAERN O=Cc1cc(-c2cc(C(F)(F)F)on2)c(F)cc1Cl ZINC000090668839 180020197 /nfs/dbraw/zinc/02/01/97/180020197.db2.gz PLLATXBPOPPFIO-UHFFFAOYSA-N 0 0 293.603 3.965 10 0 CHAERN COc1ccc(OC)c([C@@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104450185 186007010 /nfs/dbraw/zinc/00/70/10/186007010.db2.gz NWBDSQAGXLZWEW-RISCZKNCSA-N 0 0 266.381 3.810 10 0 CHAERN FC1(F)Oc2cccc(C(Cl)(Cl)Cl)c2O1 ZINC000091252132 180114256 /nfs/dbraw/zinc/11/42/56/180114256.db2.gz IAJUWINIHHPLGZ-UHFFFAOYSA-N 0 0 275.465 3.835 10 0 CHAERN Clc1nc2c(c(Cl)n1)CC[C@@H]2c1ccccc1 ZINC000091691398 180227705 /nfs/dbraw/zinc/22/77/05/180227705.db2.gz IPFZARHKKQXZPN-SECBINFHSA-N 0 0 265.143 3.862 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1cc(Cl)ccc1N ZINC000110463581 186297354 /nfs/dbraw/zinc/29/73/54/186297354.db2.gz WGAIUCCPWZNVQQ-RNCFNFMXSA-N 0 0 267.756 3.658 10 0 CHAERN Cc1cc2c(Br)cccc2nc1Cl ZINC000118266563 186767721 /nfs/dbraw/zinc/76/77/21/186767721.db2.gz IKKWGTXXGYLQNB-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccco1)c1cccs1 ZINC000121959006 187007567 /nfs/dbraw/zinc/00/75/67/187007567.db2.gz RZHYMZSBBUGKLU-TUAOUCFPSA-N 0 0 275.373 3.712 10 0 CHAERN Clc1ccc(-c2ncco2)cc1Br ZINC000256012322 190001514 /nfs/dbraw/zinc/00/15/14/190001514.db2.gz XXTGLDUYBDDVAL-UHFFFAOYSA-N 0 0 258.502 3.758 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178528344 261747841 /nfs/dbraw/zinc/74/78/41/261747841.db2.gz IXGUNRIBSMMWAD-ZETCQYMHSA-N 0 0 294.704 3.528 10 0 CHAERN C[C@H](CC(=O)c1ccccc1)C(=O)c1cccs1 ZINC000000134853 169549218 /nfs/dbraw/zinc/54/92/18/169549218.db2.gz DIELQOUCMPIQFQ-LLVKDONJSA-N 0 0 258.342 3.840 10 0 CHAERN CC(=O)c1ccccc1OC(=O)C=Cc1ccccc1 ZINC000000499132 169656883 /nfs/dbraw/zinc/65/68/83/169656883.db2.gz YQXSVJKMLGERLS-VAWYXSNFSA-N 0 0 266.296 3.508 10 0 CHAERN CSc1cncc(N[C@@H](C)c2csc(C(C)C)n2)n1 ZINC000302755727 533065960 /nfs/dbraw/zinc/06/59/60/533065960.db2.gz VXHMFHJWGLTBQY-VIFPVBQESA-N 0 0 294.449 3.952 10 0 CHAERN CO[C@H](C)CNc1nc(-c2ccsc2)nc2ccccc21 ZINC000302672797 533098198 /nfs/dbraw/zinc/09/81/98/533098198.db2.gz ORHMBYIWWWTLJG-LLVKDONJSA-N 0 0 299.399 3.805 10 0 CHAERN Cc1ccc(C(C)(C)C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000171166119 335057613 /nfs/dbraw/zinc/05/76/13/335057613.db2.gz WHBGLFRUNHVXIV-INIZCTEOSA-N 0 0 295.382 3.523 10 0 CHAERN CC(C)N(C(=O)N[C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000179635712 260061168 /nfs/dbraw/zinc/06/11/68/260061168.db2.gz ZSCDTWCCCVYEEI-MRXNPFEDSA-N 0 0 290.382 3.786 10 0 CHAERN CC(C)(C)Oc1ncccc1OCc1ccccc1 ZINC000095347604 184947947 /nfs/dbraw/zinc/94/79/47/184947947.db2.gz NSBOQXDZZXKPKT-UHFFFAOYSA-N 0 0 257.333 3.838 10 0 CHAERN COc1cccc(-c2noc(N3CC[C@H]4CCCC[C@H]43)n2)c1 ZINC000301553241 533377582 /nfs/dbraw/zinc/37/75/82/533377582.db2.gz GRRDEFLXRAUUEK-IUODEOHRSA-N 0 0 299.374 3.514 10 0 CHAERN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3cc2C=O)C1 ZINC000020303897 134725829 /nfs/dbraw/zinc/72/58/29/134725829.db2.gz KEQZEAQKZJLTBB-CHWSQXEVSA-N 0 0 268.360 3.530 10 0 CHAERN C[C@H]1CCc2ccccc2N1CC(=O)c1cccc(F)c1 ZINC000035037187 134787224 /nfs/dbraw/zinc/78/72/24/134787224.db2.gz RQLXZTOHXJSAKT-ZDUSSCGKSA-N 0 0 283.346 3.850 10 0 CHAERN CC[C@H]1CCCN(c2ccc3scnc3c2N)C1 ZINC000036168857 134807941 /nfs/dbraw/zinc/80/79/41/134807941.db2.gz RJXPBBHYNKOEDT-JTQLQIEISA-N 0 0 261.394 3.505 10 0 CHAERN COCCn1cc(N[C@H](CC(C)C)c2ccccc2)cn1 ZINC000037090464 260067332 /nfs/dbraw/zinc/06/73/32/260067332.db2.gz YNIWVGXKMGOJEE-QGZVFWFLSA-N 0 0 287.407 3.729 10 0 CHAERN Clc1ccccc1-c1nncn1-c1ccccc1 ZINC000002386176 169789718 /nfs/dbraw/zinc/78/97/18/169789718.db2.gz HKSDKHILVJHUEF-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN CCOc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000003152935 169860711 /nfs/dbraw/zinc/86/07/11/169860711.db2.gz NMBSOFMQWFNDQR-IRXDYDNUSA-N 0 0 281.355 3.828 10 0 CHAERN Cc1ccc(-c2csc(-c3cccc(N)c3)n2)o1 ZINC000004245308 169948293 /nfs/dbraw/zinc/94/82/93/169948293.db2.gz DURQAWIIQJATQS-UHFFFAOYSA-N 0 0 256.330 3.961 10 0 CHAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(O)c1nc2ccccc2[nH]1 ZINC000005285235 170082710 /nfs/dbraw/zinc/08/27/10/170082710.db2.gz HUCRLJRJBVDMCX-JECHBYEQSA-N 0 0 270.376 3.597 10 0 CHAERN CC(C)(c1nc2ccccc2s1)n1nnc2ccccc21 ZINC000005284433 170082932 /nfs/dbraw/zinc/08/29/32/170082932.db2.gz RRKSOIQKZPHICP-UHFFFAOYSA-N 0 0 294.383 3.824 10 0 CHAERN C[C@@H](c1nc2ccccc2s1)n1nnc2ccccc21 ZINC000005368925 170090157 /nfs/dbraw/zinc/09/01/57/170090157.db2.gz BHEUYRCMNQBNJM-JTQLQIEISA-N 0 0 280.356 3.650 10 0 CHAERN Cc1ccc(C(=O)[C@H](c2ccccc2)n2cccn2)cc1 ZINC000005413676 170095917 /nfs/dbraw/zinc/09/59/17/170095917.db2.gz UNKFEXCJHKXFRY-KRWDZBQOSA-N 0 0 276.339 3.664 10 0 CHAERN Cc1ccc([C@H](O)c2nc3ccccc3s2)cc1 ZINC000005416411 170096340 /nfs/dbraw/zinc/09/63/40/170096340.db2.gz ICLLTXBOQUGTIG-AWEZNQCLSA-N 0 0 255.342 3.686 10 0 CHAERN O=c1c2ccc(C(F)(F)F)cc2[nH]c2c1CCCCC2 ZINC000005421033 170097262 /nfs/dbraw/zinc/09/72/62/170097262.db2.gz WTAYGPWOLMJSHX-UHFFFAOYSA-N 0 0 281.277 3.816 10 0 CHAERN CCN(C(=O)c1ccccc1OC(C)=O)c1ccccc1C ZINC000005455715 170101064 /nfs/dbraw/zinc/10/10/64/170101064.db2.gz FFQDAIGWYAJRRS-UHFFFAOYSA-N 0 0 297.354 3.587 10 0 CHAERN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000005612476 170119602 /nfs/dbraw/zinc/11/96/02/170119602.db2.gz ZLWCJJJJSZDZAH-UHFFFAOYSA-N 0 0 287.378 3.772 10 0 CHAERN C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000005636079 170122621 /nfs/dbraw/zinc/12/26/21/170122621.db2.gz GDXHQSXLVNKZLW-SNVBAGLBSA-N 0 0 294.276 3.591 10 0 CHAERN O=c1cc(-c2ccccc2)[nH]c2cc(Cl)ccc12 ZINC000005647149 170123525 /nfs/dbraw/zinc/12/35/25/170123525.db2.gz XQOKFGZSHRSHMK-UHFFFAOYSA-N 0 0 255.704 3.849 10 0 CHAERN CCCc1nc2ccccc2n1CC(=O)C(C)(C)C ZINC000005656678 170124557 /nfs/dbraw/zinc/12/45/57/170124557.db2.gz AHNZNLLVWNOYLF-UHFFFAOYSA-N 0 0 258.365 3.604 10 0 CHAERN O=C(Oc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000006091950 170175001 /nfs/dbraw/zinc/17/50/01/170175001.db2.gz WKMRIBJBDSRIMJ-UHFFFAOYSA-N 0 0 260.120 3.588 10 0 CHAERN O=c1oc(/C=C/C=C/c2ccc(O)cc2)nc2ccccc12 ZINC000006117576 170177302 /nfs/dbraw/zinc/17/73/02/170177302.db2.gz ASJBOIQMTVOWBG-LZSLGQGWSA-N 0 0 291.306 3.620 10 0 CHAERN Cc1ccc(C)c2c1SN(Cc1ccccc1)[S@@]2=O ZINC000006522375 170209580 /nfs/dbraw/zinc/20/95/80/170209580.db2.gz WEKIIVJJVRKHPC-IBGZPJMESA-N 0 0 289.425 3.849 10 0 CHAERN Cc1cccc2c1[S@](=O)N(Cc1ccccc1)S2 ZINC000006523188 170210011 /nfs/dbraw/zinc/21/00/11/170210011.db2.gz WLASPUHKIKVYQL-GOSISDBHSA-N 0 0 275.398 3.541 10 0 CHAERN OCCCc1nc2ccccc2n1CCCc1ccccc1 ZINC000006609875 170218928 /nfs/dbraw/zinc/21/89/28/170218928.db2.gz XCLGISCYALHMLN-UHFFFAOYSA-N 0 0 294.398 3.594 10 0 CHAERN CCCOc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000007649263 170295471 /nfs/dbraw/zinc/29/54/71/170295471.db2.gz MKLLOHNLZMTNKV-UHFFFAOYSA-N 0 0 261.365 3.538 10 0 CHAERN C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000007741312 170300141 /nfs/dbraw/zinc/30/01/41/170300141.db2.gz NMJHUPIMSDEICP-SECBINFHSA-N 0 0 294.148 3.533 10 0 CHAERN COc1ccccc1NC(=O)c1ccccc1OCC(C)C ZINC000008073733 170317434 /nfs/dbraw/zinc/31/74/34/170317434.db2.gz LXALWKGUTHREBO-UHFFFAOYSA-N 0 0 299.370 3.982 10 0 CHAERN Cc1ccccc1/C=C/C(=O)NC1CCCCCC1 ZINC000008085335 170318317 /nfs/dbraw/zinc/31/83/17/170318317.db2.gz ZXVBKMJBUQQMJI-OUKQBFOZSA-N 0 0 257.377 3.847 10 0 CHAERN COc1cc(OC)cc(-c2nc3ccc(C)cc3o2)c1 ZINC000008189747 170323572 /nfs/dbraw/zinc/32/35/72/170323572.db2.gz MLGZVQYHKNAAJX-UHFFFAOYSA-N 0 0 269.300 3.820 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000008276603 170328589 /nfs/dbraw/zinc/32/85/89/170328589.db2.gz SSCOBIJQPAFDBT-HOQKPLRVSA-N 0 0 257.377 3.703 10 0 CHAERN C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000008303165 170330034 /nfs/dbraw/zinc/33/00/34/170330034.db2.gz GLQRHSOCLVHOBL-NSHDSACASA-N 0 0 282.318 3.798 10 0 CHAERN CC(C)c1ccc(C(=O)N[C@@H](C)c2ccco2)cc1 ZINC000008359840 170332929 /nfs/dbraw/zinc/33/29/29/170332929.db2.gz JFLRGYSVZGXWDR-LBPRGKRZSA-N 0 0 257.333 3.894 10 0 CHAERN Cc1cc(C(=O)Nc2ccccc2)c2cc(F)ccc2n1 ZINC000008549006 170339435 /nfs/dbraw/zinc/33/94/35/170339435.db2.gz LGCYMSJTMNWYIR-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccccc1 ZINC000008548443 170339575 /nfs/dbraw/zinc/33/95/75/170339575.db2.gz QMTWCMFUSVAJMZ-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN CCC[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@@H]1CC ZINC000008580480 170341712 /nfs/dbraw/zinc/34/17/12/170341712.db2.gz VBKDECKJNITBRB-VBNZEHGJSA-N 0 0 264.365 3.936 10 0 CHAERN CC(C)(O)c1nc2ccccc2n1CCc1ccccc1 ZINC000008785941 170355884 /nfs/dbraw/zinc/35/58/84/170355884.db2.gz ZTCKDRIGZWPKBE-UHFFFAOYSA-N 0 0 280.371 3.506 10 0 CHAERN C[C@H]1CCC[C@H](C)N1CC(=O)c1ccc(Cl)cc1 ZINC000009998148 170394525 /nfs/dbraw/zinc/39/45/25/170394525.db2.gz JIFMKVRKDGFTSB-RYUDHWBXSA-N 0 0 265.784 3.786 10 0 CHAERN Cc1ccc([C@@H](CO)Cc2cccc(Cl)c2)cc1 ZINC000011734578 170436675 /nfs/dbraw/zinc/43/66/75/170436675.db2.gz WKSCEUNSADGIDM-OAHLLOKOSA-N 0 0 260.764 3.967 10 0 CHAERN Cc1c(C)c(=O)oc2cc(OCc3cccc(N)c3)ccc12 ZINC000013835587 170603239 /nfs/dbraw/zinc/60/32/39/170603239.db2.gz WKMBYPRUDNQPPA-UHFFFAOYSA-N 0 0 295.338 3.571 10 0 CHAERN CCCCCC(=O)Nc1ccc(NC(=O)CCC)cc1 ZINC000014838942 170647056 /nfs/dbraw/zinc/64/70/56/170647056.db2.gz YCLBOYTUBPQKGD-UHFFFAOYSA-N 0 0 276.380 3.944 10 0 CHAERN N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1 ZINC000015052894 170655473 /nfs/dbraw/zinc/65/54/73/170655473.db2.gz IFUUBEMPWYXLQV-SFSYWFQMSA-N 0 0 298.342 3.881 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)c1ccc2[nH]cnc2c1 ZINC000015540036 170670007 /nfs/dbraw/zinc/67/00/07/170670007.db2.gz PIAMATCYRKCPLK-UHFFFAOYSA-N 0 0 285.734 3.777 10 0 CHAERN Nc1ccccc1NC(=O)c1cccc(Cl)c1Cl ZINC000019270791 170766993 /nfs/dbraw/zinc/76/69/93/170766993.db2.gz SVBMSOJGWZEBMC-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc2c1NCCC2 ZINC000019392893 170781925 /nfs/dbraw/zinc/78/19/25/170781925.db2.gz DCFDXYOZKZJNTK-NWANDNLSSA-N 0 0 284.403 3.810 10 0 CHAERN FC(F)(F)CN[C@@H](c1ccco1)c1ccccc1 ZINC000019428163 170796068 /nfs/dbraw/zinc/79/60/68/170796068.db2.gz HXTGKIHLXRLANV-GFCCVEGCSA-N 0 0 255.239 3.521 10 0 CHAERN Clc1cc(-c2ccccc2)ccc1OC[C@@H]1CO1 ZINC000019803031 170871484 /nfs/dbraw/zinc/87/14/84/170871484.db2.gz QWJKTZGYNFDMJM-ZDUSSCGKSA-N 0 0 260.720 3.785 10 0 CHAERN Cc1ccc(C(C)C)c(Oc2cc(C(N)=S)ccn2)c1 ZINC000019805911 170874615 /nfs/dbraw/zinc/87/46/15/170874615.db2.gz NMCQAKVKCLNAHL-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN Nc1cc(F)ccc1Sc1ccc(C(F)(F)F)cn1 ZINC000019869367 170900023 /nfs/dbraw/zinc/90/00/23/170900023.db2.gz YMWDFVFIFHXPHO-UHFFFAOYSA-N 0 0 288.269 3.973 10 0 CHAERN CC(C)N(Cc1ccccc1)c1ccc(F)cc1N ZINC000019868754 170900287 /nfs/dbraw/zinc/90/02/87/170900287.db2.gz FHCIKEJNKUATFW-UHFFFAOYSA-N 0 0 258.340 3.823 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2ccccc2)c(F)c1 ZINC000019871036 170901539 /nfs/dbraw/zinc/90/15/39/170901539.db2.gz KMLSPSMDYPMIIM-UHFFFAOYSA-N 0 0 257.308 3.665 10 0 CHAERN COc1ccc(C)cc1N[C@H]1CCOc2ccccc21 ZINC000019914569 170924286 /nfs/dbraw/zinc/92/42/86/170924286.db2.gz NXUQJMXKJJWRGQ-AWEZNQCLSA-N 0 0 269.344 3.939 10 0 CHAERN Fc1cc(F)cc(N[C@H]2CCOc3ccccc32)c1 ZINC000019962035 170944131 /nfs/dbraw/zinc/94/41/31/170944131.db2.gz OTQXNJSYCHLQLN-AWEZNQCLSA-N 0 0 261.271 3.901 10 0 CHAERN Cc1cc(CN2c3ccccc3CC[C@H]2C)ccc1N ZINC000020072352 170982819 /nfs/dbraw/zinc/98/28/19/170982819.db2.gz WLJOOTKNCIGFHL-CQSZACIVSA-N 0 0 266.388 3.919 10 0 CHAERN CNC(=O)c1cccc(N[C@@H](C)c2cc(C)sc2C)c1 ZINC000020124770 171007031 /nfs/dbraw/zinc/00/70/31/171007031.db2.gz CVZOETFNODCIPW-NSHDSACASA-N 0 0 288.416 3.898 10 0 CHAERN Nc1ccc(NCCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000020135675 171023109 /nfs/dbraw/zinc/02/31/09/171023109.db2.gz PUHNFYOERJVRLK-UHFFFAOYSA-N 0 0 287.313 3.683 10 0 CHAERN Fc1ccccc1CNCc1nc2ccccc2s1 ZINC000020136292 171024186 /nfs/dbraw/zinc/02/41/86/171024186.db2.gz SMTWEFIVNWOULE-UHFFFAOYSA-N 0 0 272.348 3.725 10 0 CHAERN C[C@@H](NCc1ccncc1)c1ccccc1Br ZINC000020139891 171026929 /nfs/dbraw/zinc/02/69/29/171026929.db2.gz WHWSURYRFRSBAP-LLVKDONJSA-N 0 0 291.192 3.695 10 0 CHAERN CCCCCn1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000020156894 171039603 /nfs/dbraw/zinc/03/96/03/171039603.db2.gz QXZADHQPDKBZEI-UHFFFAOYSA-N 0 0 290.432 3.835 10 0 CHAERN Nc1cccc(CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000020186228 171050110 /nfs/dbraw/zinc/05/01/10/171050110.db2.gz ORNKONIPWASQSI-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN CCOc1ccccc1[C@@H](C)Nc1cccc(O)c1 ZINC000020193795 171059590 /nfs/dbraw/zinc/05/95/90/171059590.db2.gz OPYHRJMYNMKTRH-GFCCVEGCSA-N 0 0 257.333 3.964 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)c2ccccc2Cl)c1 ZINC000020344128 171153232 /nfs/dbraw/zinc/15/32/32/171153232.db2.gz CSGWYXXGINSTKY-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Nc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000020345110 171153994 /nfs/dbraw/zinc/15/39/94/171153994.db2.gz WPKMJZZYGCCGFH-JXMROGBWSA-N 0 0 272.735 3.574 10 0 CHAERN CCCn1nccc1CNc1ccccc1C(F)(F)F ZINC000020350689 171155871 /nfs/dbraw/zinc/15/58/71/171155871.db2.gz WBBVJTMYDLWUCP-UHFFFAOYSA-N 0 0 283.297 3.924 10 0 CHAERN Cc1ccc(F)c(N[C@H](C)C(=O)Nc2ccccc2)c1 ZINC000020360119 171158862 /nfs/dbraw/zinc/15/88/62/171158862.db2.gz RQDSFCHGOQDSAU-GFCCVEGCSA-N 0 0 272.323 3.573 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc(Cl)c2F)c(O)c1 ZINC000020363106 171162241 /nfs/dbraw/zinc/16/22/41/171162241.db2.gz JGUVXHUOCBJNPC-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020366462 171165460 /nfs/dbraw/zinc/16/54/60/171165460.db2.gz MLAYYOZZHWGOKQ-ZDUSSCGKSA-N 0 0 284.403 3.945 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1ccccc1C(C)C ZINC000020368016 171166368 /nfs/dbraw/zinc/16/63/68/171166368.db2.gz DWRVQVBDOIFHFM-STQMWFEESA-N 0 0 262.397 3.525 10 0 CHAERN Cc1ccc(Nc2ccc(C(N)=S)cc2)c(F)c1 ZINC000020372669 171169208 /nfs/dbraw/zinc/16/92/08/171169208.db2.gz LNCAOVYUFLJDHG-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN Clc1nnc(-c2ccc3c(c2)OCCO3)c2ccccc12 ZINC000020381205 171172568 /nfs/dbraw/zinc/17/25/68/171172568.db2.gz ARLYEKYWAZMKCX-UHFFFAOYSA-N 0 0 298.729 3.721 10 0 CHAERN Nc1ccc(NCCc2ccc(Cl)cc2Cl)cn1 ZINC000020383214 171173225 /nfs/dbraw/zinc/17/32/25/171173225.db2.gz DQXGRNQRLCJBKF-UHFFFAOYSA-N 0 0 282.174 3.625 10 0 CHAERN Nc1cc(Br)ccc1NCCc1ccccc1 ZINC000020383322 171173309 /nfs/dbraw/zinc/17/33/09/171173309.db2.gz NLBDAWXWDLGBLK-UHFFFAOYSA-N 0 0 291.192 3.686 10 0 CHAERN Nc1ccc(NCc2ccccc2)cc1C(F)(F)F ZINC000020382262 171173485 /nfs/dbraw/zinc/17/34/85/171173485.db2.gz YHQIMDRQLPYESZ-UHFFFAOYSA-N 0 0 266.266 3.900 10 0 CHAERN CC(C)N(Cc1ccccc1)c1ccc(CO)cc1 ZINC000020434947 171200845 /nfs/dbraw/zinc/20/08/45/171200845.db2.gz XFONIGVFQVLEGW-UHFFFAOYSA-N 0 0 255.361 3.594 10 0 CHAERN OCc1ccccc1Oc1cccc2cccnc21 ZINC000020435469 171201164 /nfs/dbraw/zinc/20/11/64/171201164.db2.gz VBTCZIVBJXEDCJ-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN Nc1ccc(C(=O)Nc2cccc(Cl)c2F)c(Cl)c1 ZINC000020472027 171215063 /nfs/dbraw/zinc/21/50/63/171215063.db2.gz OFJGWRBCHAGLJS-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN NC(=S)c1ccc(Nc2cccc(Cl)c2F)cc1 ZINC000020472658 171215504 /nfs/dbraw/zinc/21/55/04/171215504.db2.gz BWUMFDVLEKZZHX-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN CCC[C@@H](C)Nc1ccccc1I ZINC000020479830 171221857 /nfs/dbraw/zinc/22/18/57/171221857.db2.gz SHNQSNMFUHNMNK-SECBINFHSA-N 0 0 289.160 3.892 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000020502423 171227676 /nfs/dbraw/zinc/22/76/76/171227676.db2.gz FXLGMWZSLRJKCT-LBPRGKRZSA-N 0 0 288.778 3.843 10 0 CHAERN C[C@H]1CCC[C@@H](Oc2ccc(Br)cc2N)C1 ZINC000020507263 171228946 /nfs/dbraw/zinc/22/89/46/171228946.db2.gz IEDHNUJHLZSXEF-GXSJLCMTSA-N 0 0 284.197 3.989 10 0 CHAERN C[C@H]1CCC[C@H](OCc2cc(C(N)=S)ccc2F)C1 ZINC000020516045 171232353 /nfs/dbraw/zinc/23/23/53/171232353.db2.gz OMMZIIHJPJTJJL-GWCFXTLKSA-N 0 0 281.396 3.555 10 0 CHAERN COc1ccc(N[C@@H](C)CC(C)(C)OC)cc1Cl ZINC000020524224 171237330 /nfs/dbraw/zinc/23/73/30/171237330.db2.gz RJSIXONTLHDMCG-JTQLQIEISA-N 0 0 271.788 3.964 10 0 CHAERN COc1ccc(C)cc1N[C@H](C)CC(C)(C)OC ZINC000020524344 171237406 /nfs/dbraw/zinc/23/74/06/171237406.db2.gz MLFOSNRKDANFPX-GFCCVEGCSA-N 0 0 251.370 3.619 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cc(C(N)=S)ccn1 ZINC000020548782 171245807 /nfs/dbraw/zinc/24/58/07/171245807.db2.gz GYRKTVNMZBZODE-XBFCOCLRSA-N 0 0 292.448 3.555 10 0 CHAERN COc1ccccc1-n1c(=S)[nH]c2ccccc21 ZINC000020585955 171259002 /nfs/dbraw/zinc/25/90/02/171259002.db2.gz BZWQKXUKGUZZLS-UHFFFAOYSA-N 0 0 256.330 3.697 10 0 CHAERN CC1N=NC(=S)N1c1c(Cl)cccc1C(F)(F)F ZINC000020590796 171261041 /nfs/dbraw/zinc/26/10/41/171261041.db2.gz QUYPNKREOFQLDR-UHFFFAOYSA-N 0 0 293.701 3.537 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 ZINC000021001218 171284541 /nfs/dbraw/zinc/28/45/41/171284541.db2.gz CBKWELYVTGDKCT-CQSZACIVSA-N 0 0 299.370 3.723 10 0 CHAERN CCCC(=O)Nc1ccc(-c2nnc(C(C)(C)C)o2)cc1 ZINC000021004457 171284898 /nfs/dbraw/zinc/28/48/98/171284898.db2.gz GDYMZVYCDYSCTE-UHFFFAOYSA-N 0 0 287.363 3.773 10 0 CHAERN CCCCC(=O)Nc1ccc(C)cc1NC(=O)C(C)C ZINC000021004734 171285109 /nfs/dbraw/zinc/28/51/09/171285109.db2.gz LUZONWLPVPKBHD-UHFFFAOYSA-N 0 0 276.380 3.718 10 0 CHAERN CCc1ccc([C@@H](C)Nc2ccc(OC)nc2)cc1 ZINC000021008711 171285540 /nfs/dbraw/zinc/28/55/40/171285540.db2.gz QOEKSNUHDDZOOE-GFCCVEGCSA-N 0 0 256.349 3.826 10 0 CHAERN COc1cccc(SCc2ccc(OC)c(N)c2)c1 ZINC000021011274 171287257 /nfs/dbraw/zinc/28/72/57/171287257.db2.gz FXFGKSYZQCKPAM-UHFFFAOYSA-N 0 0 275.373 3.578 10 0 CHAERN COc1ccc(N[C@H](C)c2ccc(C)c(C)c2)cn1 ZINC000021012081 171287461 /nfs/dbraw/zinc/28/74/61/171287461.db2.gz VPGIVPDIHLEUOT-CYBMUJFWSA-N 0 0 256.349 3.880 10 0 CHAERN Cc1ccc2[nH]c(CSCc3ccco3)cc(=O)c2c1 ZINC000021098717 171297903 /nfs/dbraw/zinc/29/79/03/171297903.db2.gz UVTZVRXZWQUFJK-UHFFFAOYSA-N 0 0 285.368 3.863 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cccc(F)c1 ZINC000021319320 171302750 /nfs/dbraw/zinc/30/27/50/171302750.db2.gz ZYAXDSCAAYSLCN-LBPRGKRZSA-N 0 0 257.308 3.625 10 0 CHAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc2c(c1)OCCO2 ZINC000021502430 171306352 /nfs/dbraw/zinc/30/63/52/171306352.db2.gz OGUNNTIFIKMLHC-VXGBXAGGSA-N 0 0 261.365 3.694 10 0 CHAERN Brc1ccc(C2CCC3(CC2)OCCO3)cc1 ZINC000021984635 171345352 /nfs/dbraw/zinc/34/53/52/171345352.db2.gz HOTMLVRRXAEMKZ-UHFFFAOYSA-N 0 0 297.192 3.850 10 0 CHAERN COC(=O)[C@@H]1CCCC[C@@H]1SCc1ccccc1 ZINC000021993763 171346706 /nfs/dbraw/zinc/34/67/06/171346706.db2.gz IIAYUZFEGVWNGR-KGLIPLIRSA-N 0 0 264.390 3.652 10 0 CHAERN COC(=O)[C@@H]1CCCC[C@H]1SCc1ccccc1 ZINC000021993767 171346914 /nfs/dbraw/zinc/34/69/14/171346914.db2.gz IIAYUZFEGVWNGR-ZIAGYGMSSA-N 0 0 264.390 3.652 10 0 CHAERN CCCCC(=O)c1ccc(I)cc1 ZINC000021994088 171347190 /nfs/dbraw/zinc/34/71/90/171347190.db2.gz GLMOSAYFENACPD-UHFFFAOYSA-N 0 0 288.128 3.664 10 0 CHAERN O=C1c2ccccc2[C@H]2[C@H](c3ccccc31)C2(F)F ZINC000022005824 171348468 /nfs/dbraw/zinc/34/84/68/171348468.db2.gz FDRFDJINUJIRBA-KBPBESRZSA-N 0 0 256.251 3.747 10 0 CHAERN Cc1c(N)cccc1NC(=O)c1ccc2ccccc2c1 ZINC000022143611 171356033 /nfs/dbraw/zinc/35/60/33/171356033.db2.gz MWKLEWXEEIXSJG-UHFFFAOYSA-N 0 0 276.339 3.983 10 0 CHAERN Nc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000022145353 171356338 /nfs/dbraw/zinc/35/63/38/171356338.db2.gz PKFHRRPOGPUEDM-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Cc1cc(Oc2ccc3ccccc3n2)ccc1N ZINC000022147734 171357129 /nfs/dbraw/zinc/35/71/29/171357129.db2.gz ALOVHXBLUHFWFS-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Nc1ccccc1NC(=O)c1ccc2ccccc2c1 ZINC000022150836 171358453 /nfs/dbraw/zinc/35/84/53/171358453.db2.gz YJZMYOHZBDJWBD-UHFFFAOYSA-N 0 0 262.312 3.674 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1nc2sccn2c1C=O ZINC000022158707 171363496 /nfs/dbraw/zinc/36/34/96/171363496.db2.gz OVAJMECNFOOYPG-ZYHUDNBSSA-N 0 0 278.377 3.556 10 0 CHAERN Cc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1F ZINC000022214543 171375140 /nfs/dbraw/zinc/37/51/40/171375140.db2.gz ZOUNMMOKQFHWNX-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1cccc(C(=O)Nc2nc3ccc(N)cc3s2)c1C ZINC000022217237 171375730 /nfs/dbraw/zinc/37/57/30/171375730.db2.gz XSMRZUPZTAHSHG-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN O=C(C1CC1)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000022335695 171385747 /nfs/dbraw/zinc/38/57/47/171385747.db2.gz OGIXYASQERZHTM-GOSISDBHSA-N 0 0 295.357 3.710 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)c(O)c1 ZINC000023524617 171423384 /nfs/dbraw/zinc/42/33/84/171423384.db2.gz ACCCKKJZQYZBBQ-ZDUSSCGKSA-N 0 0 269.344 3.500 10 0 CHAERN CC[C@H](C)NC(=O)c1sc(-c2ccsc2)nc1C ZINC000027338647 171514539 /nfs/dbraw/zinc/51/45/39/171514539.db2.gz CQINGPLVJULZQO-QMMMGPOBSA-N 0 0 280.418 3.708 10 0 CHAERN O=C(Nc1ccccc1)Nc1ccnc2ccccc21 ZINC000029551664 171603105 /nfs/dbraw/zinc/60/31/05/171603105.db2.gz HNVPCWJQHZXGOH-UHFFFAOYSA-N 0 0 263.300 3.879 10 0 CHAERN Oc1ccccc1-c1nc(/C=C\c2ccc(F)cc2)no1 ZINC000033246355 171775272 /nfs/dbraw/zinc/77/52/72/171775272.db2.gz VGOIHDHZVUWSQS-YFHOEESVSA-N 0 0 282.274 3.752 10 0 CHAERN O=C(Cc1cnc(-c2cccs2)o1)c1ccccc1 ZINC000034605640 171845974 /nfs/dbraw/zinc/84/59/74/171845974.db2.gz TZBCUDDZMAADIZ-UHFFFAOYSA-N 0 0 269.325 3.829 10 0 CHAERN CC1(C)O[C@@H](c2ccccc2)C(=O)N1C1CCCCC1 ZINC000034784568 171867382 /nfs/dbraw/zinc/86/73/82/171867382.db2.gz RKTZIVVGXNVNOV-HNNXBMFYSA-N 0 0 273.376 3.655 10 0 CHAERN Cc1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134577 172000635 /nfs/dbraw/zinc/00/06/35/172000635.db2.gz FBMMKGSZEVFGBO-UHFFFAOYSA-N 0 0 250.301 3.729 10 0 CHAERN Cc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134685 172001643 /nfs/dbraw/zinc/00/16/43/172001643.db2.gz HGVKXGBSGVTKEY-UHFFFAOYSA-N 0 0 278.355 3.749 10 0 CHAERN COC(=O)[C@@H](C)CSc1ccc(C(C)(C)C)cc1 ZINC000035138091 172005706 /nfs/dbraw/zinc/00/57/06/172005706.db2.gz IVLQHIZRXNTROP-NSHDSACASA-N 0 0 266.406 3.885 10 0 CHAERN Cc1ccc(C)c(OCc2nnsc2Cl)c1C ZINC000035163590 172025003 /nfs/dbraw/zinc/02/50/03/172025003.db2.gz OFJLEEKPURXVDQ-UHFFFAOYSA-N 0 0 268.769 3.696 10 0 CHAERN Cc1ccc(C)c(O[C@@H](C)C(=O)c2ccccc2)c1 ZINC000035182250 172036244 /nfs/dbraw/zinc/03/62/44/172036244.db2.gz MDSLMMTVDMNANO-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN COc1ccccc1C(=O)COc1ccc(C)c(C)c1 ZINC000035182307 172036262 /nfs/dbraw/zinc/03/62/62/172036262.db2.gz QMVPNGQTAUQXTM-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN C[C@@H](SCc1ccco1)C(=O)c1ccc(F)cc1 ZINC000035183442 172036848 /nfs/dbraw/zinc/03/68/48/172036848.db2.gz IOVHLEZXVJAIKY-SNVBAGLBSA-N 0 0 264.321 3.923 10 0 CHAERN Cc1cccc(OCC(=O)c2ccccc2Cl)c1 ZINC000035183700 172036963 /nfs/dbraw/zinc/03/69/63/172036963.db2.gz NLQQACPOFIGEGA-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN C[C@@H](Oc1cccc2cccnc21)C(=O)c1ccccc1 ZINC000035183469 172037042 /nfs/dbraw/zinc/03/70/42/172037042.db2.gz VFNZJFRNVQPSDW-CYBMUJFWSA-N 0 0 277.323 3.885 10 0 CHAERN O=C(COc1cccc(F)c1)c1cccc(Cl)c1 ZINC000035184126 172037168 /nfs/dbraw/zinc/03/71/68/172037168.db2.gz LCMVWLJBSKFTEB-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1ccc(C)c(C(=O)COc2ccc(F)cc2)c1 ZINC000035183832 172037291 /nfs/dbraw/zinc/03/72/91/172037291.db2.gz JZPLFTWZYYOXOF-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN O=C(COc1cccc(F)c1)c1ccc2c(c1)CCC2 ZINC000035184075 172037408 /nfs/dbraw/zinc/03/74/08/172037408.db2.gz IUWKVCLNVIXPJG-UHFFFAOYSA-N 0 0 270.303 3.576 10 0 CHAERN C[C@@H](Oc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000035183897 172037474 /nfs/dbraw/zinc/03/74/74/172037474.db2.gz TUGYHDMFYQEJAH-LLVKDONJSA-N 0 0 260.720 3.990 10 0 CHAERN O=C(COc1ccccc1)c1ccc(Cl)s1 ZINC000035183931 172037644 /nfs/dbraw/zinc/03/76/44/172037644.db2.gz JSRWBNNDPJOQQN-UHFFFAOYSA-N 0 0 252.722 3.663 10 0 CHAERN CC(C)(C)c1cccc(OCC(=O)c2ccco2)c1 ZINC000035184383 172037881 /nfs/dbraw/zinc/03/78/81/172037881.db2.gz AHMNCWDSDDPDGK-UHFFFAOYSA-N 0 0 258.317 3.839 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 ZINC000035188748 172043527 /nfs/dbraw/zinc/04/35/27/172043527.db2.gz CBMHCZFLVJCNEL-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@H](Nc1ncccc1C(F)(F)F)c1ccco1 ZINC000035238122 172076813 /nfs/dbraw/zinc/07/68/13/172076813.db2.gz WBDQPNZHNCNACD-QMMMGPOBSA-N 0 0 256.227 3.867 10 0 CHAERN Cc1nc(N)sc1Cc1ccc(C(C)(C)C)cc1 ZINC000035250917 172081512 /nfs/dbraw/zinc/08/15/12/172081512.db2.gz HNPASGMXEDQDDV-UHFFFAOYSA-N 0 0 260.406 3.922 10 0 CHAERN Cc1ccc(NC(=O)Nc2c(C)cccc2N)cc1 ZINC000035282685 172101184 /nfs/dbraw/zinc/10/11/84/172101184.db2.gz SIPMHWXEJSXVKV-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cc1cccc(OCc2ccc(Cl)s2)c1N ZINC000035283547 172101860 /nfs/dbraw/zinc/10/18/60/172101860.db2.gz ONLIGTOFUAKTRX-UHFFFAOYSA-N 0 0 253.754 3.871 10 0 CHAERN Cc1ccc(Oc2ccc3cc(N)ccc3n2)cc1 ZINC000035343829 172135723 /nfs/dbraw/zinc/13/57/23/172135723.db2.gz OWALDZDKTLGLSY-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN CCCCCC(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359250 172149289 /nfs/dbraw/zinc/14/92/89/172149289.db2.gz UHBXKFVTJGWSIV-UHFFFAOYSA-N 0 0 265.740 3.598 10 0 CHAERN CCOC(=O)c1cc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000035364684 172154668 /nfs/dbraw/zinc/15/46/68/172154668.db2.gz FMINMVQWWQPREK-UHFFFAOYSA-N 0 0 289.278 3.957 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1ccc(F)cc1F ZINC000035368569 172160171 /nfs/dbraw/zinc/16/01/71/172160171.db2.gz SNFXIBAKGVDJLN-UHFFFAOYSA-N 0 0 264.296 3.746 10 0 CHAERN Cc1occc1C(=O)c1ccc(Br)cc1 ZINC000035368809 172160323 /nfs/dbraw/zinc/16/03/23/172160323.db2.gz LYNJKJFRYASXJV-UHFFFAOYSA-N 0 0 265.106 3.582 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1cc(F)ccc1F ZINC000035368482 172160470 /nfs/dbraw/zinc/16/04/70/172160470.db2.gz WCRZILRVRXEEPR-UHFFFAOYSA-N 0 0 264.296 3.746 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)s2)cc1Cl ZINC000035369325 172160978 /nfs/dbraw/zinc/16/09/78/172160978.db2.gz RSFLLZPGGFCCIQ-UHFFFAOYSA-N 0 0 266.749 3.950 10 0 CHAERN Cc1ccoc1[C@@H](N)c1ccc(Cl)c(Cl)c1 ZINC000035382382 172165534 /nfs/dbraw/zinc/16/55/34/172165534.db2.gz IFCORKZGDSMUKC-NSHDSACASA-N 0 0 256.132 3.943 10 0 CHAERN CCc1ccc([C@@H](NC)C(F)(F)C(F)(F)F)s1 ZINC000035460585 172209106 /nfs/dbraw/zinc/20/91/06/172209106.db2.gz KBKMRJZOFYSDRR-MRVPVSSYSA-N 0 0 273.270 3.769 10 0 CHAERN CN[C@@H](c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000035464430 172212199 /nfs/dbraw/zinc/21/21/99/172212199.db2.gz UDYFIRRYBKEQDH-AWEZNQCLSA-N 0 0 267.706 3.927 10 0 CHAERN CCCN[C@@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000035575636 172272315 /nfs/dbraw/zinc/27/23/15/172272315.db2.gz OWLXBQUSFOVWLB-JTQLQIEISA-N 0 0 267.241 3.925 10 0 CHAERN C[C@H](O)c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000035626317 172305533 /nfs/dbraw/zinc/30/55/33/172305533.db2.gz LEXAUQJZCHXSIL-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@@H](O)c1ccc2ccccc2c1OCc1ccccn1 ZINC000035628036 172306674 /nfs/dbraw/zinc/30/66/74/172306674.db2.gz NTVVFAISWKEQMB-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000035632018 172314186 /nfs/dbraw/zinc/31/41/86/172314186.db2.gz LHGUKSDXBUPQQO-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN COc1cc(C)ccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035631876 172314276 /nfs/dbraw/zinc/31/42/76/172314276.db2.gz JCIWFVHMCQVPFX-LLVKDONJSA-N 0 0 276.307 3.988 10 0 CHAERN COc1cccc(Oc2ccc(F)cc2[C@@H](C)O)c1 ZINC000035632149 172314319 /nfs/dbraw/zinc/31/43/19/172314319.db2.gz TXCIJBYNJZKAOP-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1ccc(F)cc1 ZINC000035632276 172314739 /nfs/dbraw/zinc/31/47/39/172314739.db2.gz VWQGVOQTVVBVSR-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN Cc1ccc(N)cc1OCc1ccc(Br)s1 ZINC000035678165 172349287 /nfs/dbraw/zinc/34/92/87/172349287.db2.gz HBAQUQLSWFVNJK-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717895 172372418 /nfs/dbraw/zinc/37/24/18/172372418.db2.gz BJMOKFJEMSOSQM-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN CN(Cc1ccsc1)c1ccc2cc(N)ccc2n1 ZINC000035718655 172373394 /nfs/dbraw/zinc/37/33/94/172373394.db2.gz RTQMLWWLLYRLDB-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN CC(C)Cc1ccc([C@H](C)Nc2cnn(C)c2)cc1 ZINC000035737701 172391055 /nfs/dbraw/zinc/39/10/55/172391055.db2.gz QEJNJUARKLKTAK-ZDUSSCGKSA-N 0 0 257.381 3.792 10 0 CHAERN C[C@H](Nc1ccc(Br)cc1N)c1ccco1 ZINC000035739219 172393432 /nfs/dbraw/zinc/39/34/32/172393432.db2.gz PFVDHAAFMVKFIT-QMMMGPOBSA-N 0 0 281.153 3.797 10 0 CHAERN COC(=O)C[C@@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000035748050 172395428 /nfs/dbraw/zinc/39/54/28/172395428.db2.gz CGHNRRBAVJDXTO-SSDOTTSWSA-N 0 0 295.688 3.722 10 0 CHAERN CCN(c1ccc(F)cc1[C@@H](C)O)C1CCCC1 ZINC000035772932 172408201 /nfs/dbraw/zinc/40/82/01/172408201.db2.gz VVOWWVPJMNFBAA-LLVKDONJSA-N 0 0 251.345 3.648 10 0 CHAERN CCCc1cc(=O)c2cc(Br)cc(C)c2[nH]1 ZINC000036075729 172431311 /nfs/dbraw/zinc/43/13/11/172431311.db2.gz FKSVHGVQWKRDBL-UHFFFAOYSA-N 0 0 280.165 3.552 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)NCc1ccccc1F ZINC000036172199 172490900 /nfs/dbraw/zinc/49/09/00/172490900.db2.gz KVPIROHYDPMVLQ-ACCUITESSA-N 0 0 269.319 3.545 10 0 CHAERN CSc1ccc(NCc2ccc3c(c2)OCO3)cc1 ZINC000036804785 172722582 /nfs/dbraw/zinc/72/25/82/172722582.db2.gz CCAXAJUSBFFVGH-UHFFFAOYSA-N 0 0 273.357 3.749 10 0 CHAERN Cc1cc(Cl)c(NC[C@@H]2CCOC2)c2cccnc12 ZINC000036922785 172805670 /nfs/dbraw/zinc/80/56/70/172805670.db2.gz PFWPICUMJDDSJQ-NSHDSACASA-N 0 0 276.767 3.645 10 0 CHAERN Cn1nc(C2CCCC2)c(-c2ccc(Cl)cc2)c1N ZINC000036937724 172816062 /nfs/dbraw/zinc/81/60/62/172816062.db2.gz ODMXTFVDYCCHJK-UHFFFAOYSA-N 0 0 275.783 3.980 10 0 CHAERN COC(=O)c1cc(C)ccc1NCc1ccccc1C ZINC000036942313 172817938 /nfs/dbraw/zinc/81/79/38/172817938.db2.gz RERUOEDXPBNKGF-UHFFFAOYSA-N 0 0 269.344 3.702 10 0 CHAERN CSc1cccc(N2Cc3ccc(N)cc3C2)c1 ZINC000036988131 172852008 /nfs/dbraw/zinc/85/20/08/172852008.db2.gz DABXPZTXIBPDDI-UHFFFAOYSA-N 0 0 256.374 3.511 10 0 CHAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(Cl)c(C(N)=O)c1 ZINC000037045833 172910850 /nfs/dbraw/zinc/91/08/50/172910850.db2.gz MXGIXSIABXGOSW-XFLKPENQSA-N 0 0 280.799 3.676 10 0 CHAERN Cc1ccccc1Oc1ccc(N)c(OC(C)C)n1 ZINC000037068651 172930917 /nfs/dbraw/zinc/93/09/17/172930917.db2.gz FCFHLHYHSSPFRZ-UHFFFAOYSA-N 0 0 258.321 3.552 10 0 CHAERN CCNC(=O)c1ccc(N[C@H](C)c2cccs2)cc1 ZINC000037089549 172945850 /nfs/dbraw/zinc/94/58/50/172945850.db2.gz SWYSAUNSHRJTSK-LLVKDONJSA-N 0 0 274.389 3.671 10 0 CHAERN CN(C)C(=O)c1ccc(Cl)cc1NC1CCCCC1 ZINC000037123344 172970874 /nfs/dbraw/zinc/97/08/74/172970874.db2.gz ZPMJHFQJGPBPRU-UHFFFAOYSA-N 0 0 280.799 3.786 10 0 CHAERN COc1c(C)ccc(N[C@@H](C)CC(C)(C)OC)c1C ZINC000037125625 172972005 /nfs/dbraw/zinc/97/20/05/172972005.db2.gz RCXHVLBSPRJHHK-LBPRGKRZSA-N 0 0 265.397 3.928 10 0 CHAERN C[C@H](Nc1ccccc1CO)c1ccc(F)cc1F ZINC000037133732 172975441 /nfs/dbraw/zinc/97/54/41/172975441.db2.gz ATWWLHIPYVSUOS-JTQLQIEISA-N 0 0 263.287 3.630 10 0 CHAERN CC(C)(C)c1cnc(CSc2ccc(F)cc2N)o1 ZINC000037194732 173024079 /nfs/dbraw/zinc/02/40/79/173024079.db2.gz KPKLPZLUPITKRQ-UHFFFAOYSA-N 0 0 280.368 3.986 10 0 CHAERN Nc1ccc(-c2nc3cccc(Cl)c3s2)c(O)c1 ZINC000037205994 173027482 /nfs/dbraw/zinc/02/74/82/173027482.db2.gz WLAHQQPFUXLQIZ-UHFFFAOYSA-N 0 0 276.748 3.905 10 0 CHAERN COC(=O)c1ccccc1CNc1ccccc1Cl ZINC000037210741 173033128 /nfs/dbraw/zinc/03/31/28/173033128.db2.gz WYROTAKZHPFLRD-UHFFFAOYSA-N 0 0 275.735 3.739 10 0 CHAERN Cc1nc2sccn2c1CNc1cc(C)ccc1F ZINC000037245440 173059327 /nfs/dbraw/zinc/05/93/27/173059327.db2.gz QRCMAFQMECVMHU-UHFFFAOYSA-N 0 0 275.352 3.764 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1ccc(OC(C)C)cc1 ZINC000037246730 173060334 /nfs/dbraw/zinc/06/03/34/173060334.db2.gz LZJKVTJXGQKTLV-CVEARBPZSA-N 0 0 263.381 3.843 10 0 CHAERN Cc1n[nH]c(C)c1N[C@H](c1ccc(F)cc1)C1CC1 ZINC000037261738 173071825 /nfs/dbraw/zinc/07/18/25/173071825.db2.gz GDAOIZXYVPPGFW-HNNXBMFYSA-N 0 0 259.328 3.729 10 0 CHAERN CCCC[C@H](C)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000037292794 173097982 /nfs/dbraw/zinc/09/79/82/173097982.db2.gz WBRWPMVILDMZMB-NSHDSACASA-N 0 0 258.369 3.771 10 0 CHAERN COC(=O)c1ccc(NC[C@H](C)c2ccccc2)cc1 ZINC000037307532 173110261 /nfs/dbraw/zinc/11/02/61/173110261.db2.gz HTIZPHQLWOOWJJ-ZDUSSCGKSA-N 0 0 269.344 3.689 10 0 CHAERN CCOC(=O)c1sc(-c2cc(C)ccc2C)cc1N ZINC000037337719 173138832 /nfs/dbraw/zinc/13/88/32/173138832.db2.gz YQEGIHFZIJDNAD-UHFFFAOYSA-N 0 0 275.373 3.791 10 0 CHAERN CC1CCC(OCC(=O)c2c(F)cccc2F)CC1 ZINC000037344314 173142842 /nfs/dbraw/zinc/14/28/42/173142842.db2.gz UJFCMUKDQIWDGL-UHFFFAOYSA-N 0 0 268.303 3.743 10 0 CHAERN CC[C@H](Oc1ccccc1F)C(=O)c1ccccc1 ZINC000037347434 173143939 /nfs/dbraw/zinc/14/39/39/173143939.db2.gz QPJHNIGRMDMBAT-AWEZNQCLSA-N 0 0 258.292 3.866 10 0 CHAERN C[C@@H]1CCC[C@H](OCC(=O)c2c(F)cccc2F)C1 ZINC000037350391 173144608 /nfs/dbraw/zinc/14/46/08/173144608.db2.gz WXRLLQJKKHUZAN-MNOVXSKESA-N 0 0 268.303 3.743 10 0 CHAERN CC[C@H](C)c1[nH]nc(N)c1-c1cc(Cl)ccc1OC ZINC000037349362 173144616 /nfs/dbraw/zinc/14/46/16/173144616.db2.gz MRHQWWQYIPXHBO-QMMMGPOBSA-N 0 0 279.771 3.834 10 0 CHAERN CC[C@@H](C)c1[nH]nc(N)c1-c1cc(Cl)ccc1OC ZINC000037349360 173144932 /nfs/dbraw/zinc/14/49/32/173144932.db2.gz MRHQWWQYIPXHBO-MRVPVSSYSA-N 0 0 279.771 3.834 10 0 CHAERN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000037354713 173147110 /nfs/dbraw/zinc/14/71/10/173147110.db2.gz BNNDSCOPKNEHBS-INIZCTEOSA-N 0 0 252.313 3.715 10 0 CHAERN O=C(Cc1ccccc1Cl)c1ccc2c(c1)CCO2 ZINC000037358675 173148896 /nfs/dbraw/zinc/14/88/96/173148896.db2.gz KHTWIEIUYUMBQW-UHFFFAOYSA-N 0 0 272.731 3.700 10 0 CHAERN COc1ccccc1C(=O)c1c(C)[nH]c2ccccc21 ZINC000037361334 173151106 /nfs/dbraw/zinc/15/11/06/173151106.db2.gz BNOGYVCWYXSLMB-UHFFFAOYSA-N 0 0 265.312 3.716 10 0 CHAERN COc1ccc(C(=O)CC(F)(F)F)c2ccccc12 ZINC000037363246 173152485 /nfs/dbraw/zinc/15/24/85/173152485.db2.gz XSEAKTNQCSQSNJ-UHFFFAOYSA-N 0 0 268.234 3.984 10 0 CHAERN O=c1[nH]nc(-c2cc(Cl)ccc2Cl)c2ccccc12 ZINC000037378754 173167306 /nfs/dbraw/zinc/16/73/06/173167306.db2.gz JTOFTPKAYJIIEP-UHFFFAOYSA-N 0 0 291.137 3.897 10 0 CHAERN Nc1cc(COc2ccc(F)cc2F)ccc1Cl ZINC000037402628 173178828 /nfs/dbraw/zinc/17/88/28/173178828.db2.gz LMAAZOZKDOWVNT-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN COC(=O)c1ccc(C)c(NCc2ccc(C)s2)c1 ZINC000037507924 173241896 /nfs/dbraw/zinc/24/18/96/173241896.db2.gz QARODPUIYDCSMZ-UHFFFAOYSA-N 0 0 275.373 3.764 10 0 CHAERN Cc1ccc(OCc2ccc(N)cc2Br)cc1 ZINC000037516121 173247624 /nfs/dbraw/zinc/24/76/24/173247624.db2.gz QIPVYMSYJRQGJX-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Cc1ccccc1[C@@]1(O)CCCCc2ccccc21 ZINC000037529100 173252296 /nfs/dbraw/zinc/25/22/96/173252296.db2.gz WBUCZANNIXVFRO-SFHVURJKSA-N 0 0 252.357 3.957 10 0 CHAERN COc1ccccc1[C@@H](O)Cc1ccccc1Cl ZINC000037532082 173253270 /nfs/dbraw/zinc/25/32/70/173253270.db2.gz FGHBIBROSHFDBH-AWEZNQCLSA-N 0 0 262.736 3.625 10 0 CHAERN Cc1cccc(C[C@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532655 173253773 /nfs/dbraw/zinc/25/37/73/173253773.db2.gz LLGBTTCIGAUQSK-MRXNPFEDSA-N 0 0 260.764 3.795 10 0 CHAERN Cn1ccc(N[C@H]2CCC(C)(C)c3ccccc32)n1 ZINC000037560358 173270505 /nfs/dbraw/zinc/27/05/05/173270505.db2.gz NGSLZWPDVHWJRG-AWEZNQCLSA-N 0 0 255.365 3.645 10 0 CHAERN Cn1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000037560725 173270967 /nfs/dbraw/zinc/27/09/67/173270967.db2.gz VRKYSDUUGGSHAO-AWEZNQCLSA-N 0 0 261.756 3.637 10 0 CHAERN Cn1ccc(N[C@@H](CC(F)(F)F)c2ccccc2)n1 ZINC000037560863 173271389 /nfs/dbraw/zinc/27/13/89/173271389.db2.gz YZDREDCXUGGSBQ-NSHDSACASA-N 0 0 269.270 3.526 10 0 CHAERN COc1ccc([C@@](C)(O)c2cc(C)cc(C)c2)cc1 ZINC000037745889 173668076 /nfs/dbraw/zinc/66/80/76/173668076.db2.gz YUUDZBNBWKGEIX-QGZVFWFLSA-N 0 0 256.345 3.568 10 0 CHAERN Cc1nc(-c2cccc(N[C@@H](C)CC(C)C)c2)n[nH]1 ZINC000037781557 173711772 /nfs/dbraw/zinc/71/17/72/173711772.db2.gz ISEWAWIKQJQZQQ-NSHDSACASA-N 0 0 258.369 3.627 10 0 CHAERN Cc1ncsc1[C@@H](C)Nc1ccc2n[nH]cc2c1 ZINC000037869158 173814734 /nfs/dbraw/zinc/81/47/34/173814734.db2.gz IVSVTTZVJIQOHW-SECBINFHSA-N 0 0 258.350 3.501 10 0 CHAERN COc1cc(F)c(C(=O)CC2CCCC2)c(F)c1 ZINC000037903067 173834295 /nfs/dbraw/zinc/83/42/95/173834295.db2.gz CNRXDCYYJHMZKM-UHFFFAOYSA-N 0 0 254.276 3.736 10 0 CHAERN NC(=O)[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000037942511 173882586 /nfs/dbraw/zinc/88/25/86/173882586.db2.gz SGVMDRXPRRDZJX-ZDUSSCGKSA-N 0 0 295.169 3.632 10 0 CHAERN CCOC(=O)[C@@H](NC1CCCCCC1)c1cccc(C)c1 ZINC000037972711 173926460 /nfs/dbraw/zinc/92/64/60/173926460.db2.gz BJKCMDIYQVESNL-KRWDZBQOSA-N 0 0 289.419 3.912 10 0 CHAERN CC(C)[C@H](NC(=O)c1cccnc1Cl)c1cccs1 ZINC000037977458 173933977 /nfs/dbraw/zinc/93/39/77/173933977.db2.gz VZJAFYYXJUBFQY-LBPRGKRZSA-N 0 0 294.807 3.924 10 0 CHAERN COc1ccc(Sc2c(F)cc(N)cc2F)cc1 ZINC000038040410 174040493 /nfs/dbraw/zinc/04/04/93/174040493.db2.gz PAKLFXMAVPZJCP-UHFFFAOYSA-N 0 0 267.300 3.707 10 0 CHAERN Cc1cccc(COc2cccc3c2NCCC3)c1 ZINC000038056317 174067676 /nfs/dbraw/zinc/06/76/76/174067676.db2.gz QCXZPFLTLPMFLX-UHFFFAOYSA-N 0 0 253.345 3.932 10 0 CHAERN Cc1ccccc1C(=O)c1ccc2c(c1)CCCO2 ZINC000038057548 174068280 /nfs/dbraw/zinc/06/82/80/174068280.db2.gz LBDHTHKSNYUAAR-UHFFFAOYSA-N 0 0 252.313 3.551 10 0 CHAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000038066106 174077531 /nfs/dbraw/zinc/07/75/31/174077531.db2.gz NDWYUBFUFIOZFC-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000038066411 174077738 /nfs/dbraw/zinc/07/77/38/174077738.db2.gz JXXDMKJCTWRWLX-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000038066549 174077762 /nfs/dbraw/zinc/07/77/62/174077762.db2.gz JUYSLGXMEAVGLR-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000038066824 174078393 /nfs/dbraw/zinc/07/83/93/174078393.db2.gz DNKIBMAMPUZYPB-PELKAZGASA-N 0 0 290.190 3.596 10 0 CHAERN C[C@@H]1Cc2cc(-c3ccc(F)c(C=O)c3)ccc2O1 ZINC000038071935 174082512 /nfs/dbraw/zinc/08/25/12/174082512.db2.gz QCQIPSNHXFHDRV-SNVBAGLBSA-N 0 0 256.276 3.629 10 0 CHAERN Oc1ccc(SCc2nnc(-c3cccs3)o2)cc1 ZINC000038078807 174088901 /nfs/dbraw/zinc/08/89/01/174088901.db2.gz HTIJGFCJVNHKOR-UHFFFAOYSA-N 0 0 290.369 3.796 10 0 CHAERN Cc1csc(CN[C@H](C)c2c(C)cc(C)nc2C)n1 ZINC000038091109 174104730 /nfs/dbraw/zinc/10/47/30/174104730.db2.gz ZEVVHSAFLZMUHS-GFCCVEGCSA-N 0 0 275.421 3.623 10 0 CHAERN c1cc(-c2ccccc2)c(-c2[nH]nc3ncccc32)[nH]1 ZINC000038419182 174141172 /nfs/dbraw/zinc/14/11/72/174141172.db2.gz BSBHPZKUXGKGRS-UHFFFAOYSA-N 0 0 260.300 3.620 10 0 CHAERN O=C1O[C@@H](Oc2ccc(Cl)cc2)c2ccccc21 ZINC000039043714 174161705 /nfs/dbraw/zinc/16/17/05/174161705.db2.gz MEYUYUXDMPHYCD-CQSZACIVSA-N 0 0 260.676 3.588 10 0 CHAERN O=C(Cn1ccnc1)c1cc(Cl)c(Cl)cc1Cl ZINC000039139934 174164621 /nfs/dbraw/zinc/16/46/21/174164621.db2.gz PMTWYJYPVRRERV-UHFFFAOYSA-N 0 0 289.549 3.726 10 0 CHAERN Cc1cc(-c2ccccc2)c2c(n1)[C@@H](C(N)=S)CCC2 ZINC000039204801 174165493 /nfs/dbraw/zinc/16/54/93/174165493.db2.gz MDCWNIQJTPGYSI-AWEZNQCLSA-N 0 0 282.412 3.763 10 0 CHAERN Nc1ccccc1C(=O)c1ccc(Cl)cc1Cl ZINC000039643324 174171436 /nfs/dbraw/zinc/17/14/36/174171436.db2.gz KIQAJJIMMVVAOZ-UHFFFAOYSA-N 0 0 266.127 3.807 10 0 CHAERN CC(C)N(C(=O)Cn1c2ccccc2nc1C1CC1)C(C)C ZINC000040231696 174210739 /nfs/dbraw/zinc/21/07/39/174210739.db2.gz XDLQRUXRPQGGGN-UHFFFAOYSA-N 0 0 299.418 3.559 10 0 CHAERN COc1ccc([C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000040244168 174214272 /nfs/dbraw/zinc/21/42/72/174214272.db2.gz BHJIUMAQBYZBQX-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN O[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000040245084 174214691 /nfs/dbraw/zinc/21/46/91/174214691.db2.gz MSEDATJNGMDTMF-SJORKVTESA-N 0 0 254.329 3.566 10 0 CHAERN O[C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000040260223 174216495 /nfs/dbraw/zinc/21/64/95/174216495.db2.gz CXDSSQSKNSGCRN-MRVPVSSYSA-N 0 0 259.054 3.979 10 0 CHAERN CC(=O)NCc1nc2ccccc2n1CCC1CCCCC1 ZINC000040274113 174218289 /nfs/dbraw/zinc/21/82/89/174218289.db2.gz KNGYUUCUXGFALD-UHFFFAOYSA-N 0 0 299.418 3.643 10 0 CHAERN Cc1nc2cc(C(=O)Nc3cccc(C)c3C)ccc2[nH]1 ZINC000040311864 174231144 /nfs/dbraw/zinc/23/11/44/174231144.db2.gz MMKYQUXCEQFCGJ-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN COc1ccc(C)cc1C(=O)[C@H](C)Oc1ccc(C)cc1N ZINC000040354642 174245672 /nfs/dbraw/zinc/24/56/72/174245672.db2.gz DVFCOHQIQWWEOL-ZDUSSCGKSA-N 0 0 299.370 3.544 10 0 CHAERN OCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040401034 174253083 /nfs/dbraw/zinc/25/30/83/174253083.db2.gz JRVWCBSSUYCRBW-UHFFFAOYSA-N 0 0 278.783 3.730 10 0 CHAERN Cc1oc(-c2ccc(F)cc2)nc1Br ZINC000040544477 174324136 /nfs/dbraw/zinc/32/41/36/174324136.db2.gz PCNDVKJPMNGMOH-UHFFFAOYSA-N 0 0 256.074 3.552 10 0 CHAERN Cc1cccc(C(=O)N(C)CCc2c[nH]c3ccccc23)c1 ZINC000040753251 174395574 /nfs/dbraw/zinc/39/55/74/174395574.db2.gz NYQHZXRCLMHVOA-UHFFFAOYSA-N 0 0 292.382 3.791 10 0 CHAERN Cc1cccc(Nc2ncnc(NCCC(C)C)c2N)c1C ZINC000040755206 174396428 /nfs/dbraw/zinc/39/64/28/174396428.db2.gz UVEWMYGQDJTEBU-UHFFFAOYSA-N 0 0 299.422 3.877 10 0 CHAERN Cc1ccc(Nc2ncnc(NCCC(C)C)c2N)cc1 ZINC000040782076 174404626 /nfs/dbraw/zinc/40/46/26/174404626.db2.gz HIEQZNJNMNKJBV-UHFFFAOYSA-N 0 0 285.395 3.569 10 0 CHAERN CCCc1nn2c(C)c(-c3ccc(F)cc3)nc2s1 ZINC000040963619 174440525 /nfs/dbraw/zinc/44/05/25/174440525.db2.gz VRNFIYQJQKZVNR-UHFFFAOYSA-N 0 0 275.352 3.858 10 0 CHAERN COc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1 ZINC000040963889 174440579 /nfs/dbraw/zinc/44/05/79/174440579.db2.gz AJDITCJKUACADF-UHFFFAOYSA-N 0 0 287.388 3.665 10 0 CHAERN O=C(Nc1nnc(C2CC2)s1)Nc1ccc(Cl)cc1 ZINC000041013728 174450342 /nfs/dbraw/zinc/45/03/42/174450342.db2.gz YGHNHZDIOIAGMW-UHFFFAOYSA-N 0 0 294.767 3.713 10 0 CHAERN CN(CC[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000041145022 174495867 /nfs/dbraw/zinc/49/58/67/174495867.db2.gz FUKLPFHSVZRIPR-INIZCTEOSA-N 0 0 275.779 3.900 10 0 CHAERN Nc1cccc(OCCNc2ccc(C(F)(F)F)cc2)c1 ZINC000041486034 174561167 /nfs/dbraw/zinc/56/11/67/174561167.db2.gz XGWSCXFPJMEEIL-UHFFFAOYSA-N 0 0 296.292 3.779 10 0 CHAERN OC[C@@H](Cc1cccs1)c1ccc(Br)cc1 ZINC000041496535 174562036 /nfs/dbraw/zinc/56/20/36/174562036.db2.gz JVFDUWLOLKVAEQ-LLVKDONJSA-N 0 0 297.217 3.829 10 0 CHAERN Cc1ccc2c(c1)[nH]c(=S)n2CCc1ccco1 ZINC000042591842 174811761 /nfs/dbraw/zinc/81/17/61/174811761.db2.gz JCLRSDSYXGYFAG-UHFFFAOYSA-N 0 0 258.346 3.843 10 0 CHAERN CCCCN(c1nc2sccn2c1C=O)[C@@H](C)CC ZINC000042608158 174820905 /nfs/dbraw/zinc/82/09/05/174820905.db2.gz DWWRCDHCNQQZEA-NSHDSACASA-N 0 0 279.409 3.613 10 0 CHAERN CC(=O)c1c(F)cccc1N(CC(F)(F)F)C1CC1 ZINC000042768279 174870131 /nfs/dbraw/zinc/87/01/31/174870131.db2.gz CFDUMAPHUGXGBS-UHFFFAOYSA-N 0 0 275.245 3.559 10 0 CHAERN CCCN(CC(=O)c1ccc(CC)s1)CC(F)(F)F ZINC000042776390 174874212 /nfs/dbraw/zinc/87/42/12/174874212.db2.gz JJNWNMYJHJRSEN-UHFFFAOYSA-N 0 0 293.354 3.768 10 0 CHAERN FC(F)(F)OCc1ccc(Br)s1 ZINC000043463465 175051956 /nfs/dbraw/zinc/05/19/56/175051956.db2.gz WMCAOPKWERJOKH-UHFFFAOYSA-N 0 0 261.062 3.547 10 0 CHAERN Oc1ccc(CNc2ccc(F)c(F)c2)cc1Cl ZINC000043476825 175054964 /nfs/dbraw/zinc/05/49/64/175054964.db2.gz UFRWQURZYLSTDO-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN C[C@H](Nc1cncc(Cl)n1)c1cccc(Cl)c1 ZINC000043534676 175063007 /nfs/dbraw/zinc/06/30/07/175063007.db2.gz STJAWOFFIPXRHD-QMMMGPOBSA-N 0 0 268.147 3.957 10 0 CHAERN COc1ccc(C[C@H]2CCCCCC2=O)cc1F ZINC000043650093 175085355 /nfs/dbraw/zinc/08/53/55/175085355.db2.gz ULWJREDGPMGRGS-GFCCVEGCSA-N 0 0 250.313 3.526 10 0 CHAERN O[C@H]1c2ccccc2C[C@H]1CCCc1ccccc1 ZINC000043659375 175085761 /nfs/dbraw/zinc/08/57/61/175085761.db2.gz DNGBDWCAKAQUEU-SJLPKXTDSA-N 0 0 252.357 3.915 10 0 CHAERN Oc1ccc(OCc2sccc2Br)cc1 ZINC000043676073 175088527 /nfs/dbraw/zinc/08/85/27/175088527.db2.gz IDEXLKBTBGXIGL-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN O=C1CCCC[C@H]1Cc1cc(Br)cs1 ZINC000043687989 175094961 /nfs/dbraw/zinc/09/49/61/175094961.db2.gz FUIZXXSEQYISJF-QMMMGPOBSA-N 0 0 273.195 3.812 10 0 CHAERN CC(C)(C)[C@@H](O)CCc1cc(Br)cs1 ZINC000043688710 175095353 /nfs/dbraw/zinc/09/53/53/175095353.db2.gz OKTGHJKQUGZYDC-JTQLQIEISA-N 0 0 277.227 3.850 10 0 CHAERN CC(C)[C@H](C)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000044195474 175153455 /nfs/dbraw/zinc/15/34/55/175153455.db2.gz CQNQUVNFHRKKNF-VIFPVBQESA-N 0 0 274.191 3.697 10 0 CHAERN O=C1c2ccccc2C(=O)N1CCCc1ccc(Cl)cc1 ZINC000044367802 175168406 /nfs/dbraw/zinc/16/84/06/175168406.db2.gz LQQWLNCZSIDJEC-UHFFFAOYSA-N 0 0 299.757 3.569 10 0 CHAERN S=C(NCc1ccccc1)n1c(=S)[nH]c2ccccc21 ZINC000045007923 175289114 /nfs/dbraw/zinc/28/91/14/175289114.db2.gz VBFCTPJSCOPPOY-UHFFFAOYSA-N 0 0 299.424 3.622 10 0 CHAERN CCc1nc(-c2ccc(OC)cc2)nc(Cl)c1C ZINC000045955953 175388924 /nfs/dbraw/zinc/38/89/24/175388924.db2.gz ALMARDXKNAMTSO-UHFFFAOYSA-N 0 0 262.740 3.676 10 0 CHAERN CCc1c(C)nc(-c2ccccc2F)nc1Cl ZINC000045955945 175389104 /nfs/dbraw/zinc/38/91/04/175389104.db2.gz COSVMRWQACMTLW-UHFFFAOYSA-N 0 0 250.704 3.807 10 0 CHAERN CCc1cc(=S)[nH]c(-c2cccc(Cl)c2)n1 ZINC000045956277 175389141 /nfs/dbraw/zinc/38/91/41/175389141.db2.gz BBXMTDSEPUKDQE-UHFFFAOYSA-N 0 0 250.754 3.648 10 0 CHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cccc(F)c3)n2)cc1 ZINC000057342050 175592885 /nfs/dbraw/zinc/59/28/85/175592885.db2.gz JOGBQOUYOZLLJM-UHFFFAOYSA-N 0 0 295.317 3.628 10 0 CHAERN S=c1[nH]c(-c2ccc(Br)s2)cs1 ZINC000070598263 175995355 /nfs/dbraw/zinc/99/53/55/175995355.db2.gz VDCMNXUNEAXXGP-UHFFFAOYSA-N 0 0 278.221 3.923 10 0 CHAERN CC(C)Oc1ccc(C2=NC(=S)SC2)cc1 ZINC000070598274 175995483 /nfs/dbraw/zinc/99/54/83/175995483.db2.gz KFWUVTMXMLRSQH-UHFFFAOYSA-N 0 0 251.376 3.886 10 0 CHAERN CC[C@@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000070709329 176002793 /nfs/dbraw/zinc/00/27/93/176002793.db2.gz XJQCLDHWYBXVDC-LLVKDONJSA-N 0 0 265.784 3.676 10 0 CHAERN CC(=O)c1csc(Cc2cccc(Br)c2)n1 ZINC000070848230 176008813 /nfs/dbraw/zinc/00/88/13/176008813.db2.gz OOWSZLPHGLPATB-UHFFFAOYSA-N 0 0 296.189 3.699 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H](Sc2ccncc2)C1 ZINC000071257499 176095953 /nfs/dbraw/zinc/09/59/53/176095953.db2.gz BBVBELIMIPQNDI-CYBMUJFWSA-N 0 0 294.420 3.573 10 0 CHAERN COc1ccc(C(=O)c2ccccc2N)c2ccccc12 ZINC000071451013 176175305 /nfs/dbraw/zinc/17/53/05/176175305.db2.gz YSRLTRISFLXAEW-UHFFFAOYSA-N 0 0 277.323 3.662 10 0 CHAERN Cc1cccc(C[C@H](C)Nc2nccc(C3CCCC3)n2)n1 ZINC000071750261 176259661 /nfs/dbraw/zinc/25/96/61/176259661.db2.gz NSVRCEUQVRPVHQ-AWEZNQCLSA-N 0 0 296.418 3.881 10 0 CHAERN COc1ccc2c(c1)[C@@H](Cc1ccccc1)C(=O)CC2 ZINC000071863855 176280809 /nfs/dbraw/zinc/28/08/09/176280809.db2.gz SBPRZKDJWZOZNO-QGZVFWFLSA-N 0 0 266.340 3.537 10 0 CHAERN FC(F)(F)c1cccc(-c2nc(Cl)nc(Cl)n2)c1 ZINC000072191949 176336462 /nfs/dbraw/zinc/33/64/62/176336462.db2.gz IAEKERZZRCOLMV-UHFFFAOYSA-N 0 0 294.063 3.864 10 0 CHAERN CC(C)c1nc(Br)nc2ccccc21 ZINC000072192179 176336565 /nfs/dbraw/zinc/33/65/65/176336565.db2.gz GDKDNIXUSBQWRL-UHFFFAOYSA-N 0 0 251.127 3.516 10 0 CHAERN Nc1cccc2oc(C34CC5CC(CC(C5)C3)C4)nc21 ZINC000074413248 176542833 /nfs/dbraw/zinc/54/28/33/176542833.db2.gz BVVGQPCTOKZOKE-UHFFFAOYSA-N 0 0 268.360 3.878 10 0 CHAERN Nc1ccc(C(F)(F)F)cc1C(=O)c1ccccc1F ZINC000075835489 176802281 /nfs/dbraw/zinc/80/22/81/176802281.db2.gz GIITYMKYXCQJJY-UHFFFAOYSA-N 0 0 283.224 3.658 10 0 CHAERN CN(c1ncc(N)cc1Br)C1CCCCCC1 ZINC000076574403 177041441 /nfs/dbraw/zinc/04/14/41/177041441.db2.gz JUEDHFNSVOQCPS-UHFFFAOYSA-N 0 0 298.228 3.585 10 0 CHAERN CC[C@@H](CCCCO[C@H]1CCCCO1)C(=O)OC(C)C ZINC000077292407 177250218 /nfs/dbraw/zinc/25/02/18/177250218.db2.gz RICKYRZOKCFSNA-LSDHHAIUSA-N 0 0 286.412 3.678 10 0 in-vitro CHAERN Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(Cl)cc1F ZINC000335003944 225392848 /nfs/dbraw/zinc/39/28/48/225392848.db2.gz HMCYILSBZZTHEH-TVQRCGJNSA-N 0 0 282.746 3.804 10 0 CHAERN C[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1cccc(Cl)c1 ZINC000171727212 335076213 /nfs/dbraw/zinc/07/62/13/335076213.db2.gz BKXLCQIQWMMROL-WDEREUQCSA-N 0 0 298.839 3.548 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000171911519 335084558 /nfs/dbraw/zinc/08/45/58/335084558.db2.gz JWTQXZIAPVNQCA-MNOVXSKESA-N 0 0 298.224 3.918 10 0 CHAERN c1ccc2c(c1)CC[C@@H]2Nc1nc(C2CC2)ns1 ZINC000301450503 227542159 /nfs/dbraw/zinc/54/21/59/227542159.db2.gz SRZSIRHOZIFTIX-LBPRGKRZSA-N 0 0 257.362 3.515 10 0 CHAERN Clc1cccc([C@H]2C[C@@H]2Nc2ccc3nccnc3n2)c1 ZINC000301344383 227514728 /nfs/dbraw/zinc/51/47/28/227514728.db2.gz JIYDTKCWUUOXIZ-OCCSQVGLSA-N 0 0 296.761 3.646 10 0 CHAERN Cc1cnc(N[C@H]2CC[C@@H](C)c3ccccc32)nc1 ZINC000301830972 227694739 /nfs/dbraw/zinc/69/47/39/227694739.db2.gz HZGFJSOEUXDVGH-DOMZBBRYSA-N 0 0 253.349 3.836 10 0 CHAERN C[C@H]1C[C@@H]1Nc1cncc(SCc2ccccc2)n1 ZINC000301833593 227696824 /nfs/dbraw/zinc/69/68/24/227696824.db2.gz VACZIPQPAXZEEU-AAEUAGOBSA-N 0 0 271.389 3.589 10 0 CHAERN Cc1cc(N[C@H](CO)CC(C)C)c2ccc(F)c(F)c2n1 ZINC000302727123 227880474 /nfs/dbraw/zinc/88/04/74/227880474.db2.gz OIHDPDCTNNISIP-NSHDSACASA-N 0 0 294.345 3.640 10 0 CHAERN Cc1ncsc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333224507 228194302 /nfs/dbraw/zinc/19/43/02/228194302.db2.gz MWTDOKWCKOCTMB-UHFFFAOYSA-N 0 0 263.366 3.579 10 0 CHAERN Cc1n[nH]c(C)c1[C@@H](C)c1nc(C(C)(C)C2CCC2)no1 ZINC000333268891 228195403 /nfs/dbraw/zinc/19/54/03/228195403.db2.gz VRDCUJWPGLENGB-SECBINFHSA-N 0 0 288.395 3.639 10 0 CHAERN C[C@@H](NCc1nc(Cc2ccccc2)no1)c1cccs1 ZINC000036901002 260050120 /nfs/dbraw/zinc/05/01/20/260050120.db2.gz KBEGLODMKDFWPC-GFCCVEGCSA-N 0 0 299.399 3.573 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000312460625 260050478 /nfs/dbraw/zinc/05/04/78/260050478.db2.gz YMUWLLUTTMRNDO-QMMMGPOBSA-N 0 0 297.326 3.755 10 0 CHAERN Cc1ccc(N[C@@H]2CC(=O)N(C)c3ccccc32)c(F)c1 ZINC000037244166 260077376 /nfs/dbraw/zinc/07/73/76/260077376.db2.gz UEXOFESJZUFBQQ-OAHLLOKOSA-N 0 0 284.334 3.654 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000078587963 260168286 /nfs/dbraw/zinc/16/82/86/260168286.db2.gz KMTKDMZUXRDLBT-IUCAKERBSA-N 0 0 291.342 3.582 10 0 CHAERN Cc1nccc(C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000086957345 260210933 /nfs/dbraw/zinc/21/09/33/260210933.db2.gz IKOGRBYWQCMSJJ-CABCVRRESA-N 0 0 275.440 3.870 10 0 CHAERN CCCn1ccc(CNc2cccc(-c3cc[nH]n3)c2)c1 ZINC000091011950 260264737 /nfs/dbraw/zinc/26/47/37/260264737.db2.gz RNYFJWLDPKUJRD-UHFFFAOYSA-N 0 0 280.375 3.900 10 0 CHAERN Cc1nccc(CN[C@H]2CCCc3sc(Cl)cc32)n1 ZINC000128025086 260371671 /nfs/dbraw/zinc/37/16/71/260371671.db2.gz XEMYTKPLQAQYLK-LBPRGKRZSA-N 0 0 293.823 3.667 10 0 CHAERN Cc1cc2c(N[C@@H](C)c3cccc(Cl)c3)nccn2n1 ZINC000129231300 260386533 /nfs/dbraw/zinc/38/65/33/260386533.db2.gz IKJIGQRFCGGWIP-NSHDSACASA-N 0 0 286.766 3.864 10 0 CHAERN O=C(CC1CCCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000130241886 260394187 /nfs/dbraw/zinc/39/41/87/260394187.db2.gz OXGSYCJADFZSBC-AEFFLSMTSA-N 0 0 293.451 3.501 10 0 CHAERN CCCCOC[C@@H](O)CSc1ccc(Cl)cc1 ZINC000137900994 260524635 /nfs/dbraw/zinc/52/46/35/260524635.db2.gz CGUPHVLVFASEHY-GFCCVEGCSA-N 0 0 274.813 3.610 10 0 CHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000153918624 261084796 /nfs/dbraw/zinc/08/47/96/261084796.db2.gz YDWQQQSZTLBSIS-AAEUAGOBSA-N 0 0 279.380 3.551 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NCc2noc(C3CC3)n2)cc1 ZINC000154319935 261090230 /nfs/dbraw/zinc/09/02/30/261090230.db2.gz JZEIGZLSBFFGFH-CYBMUJFWSA-N 0 0 299.418 3.996 10 0 CHAERN Cc1ccncc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000154510546 261092323 /nfs/dbraw/zinc/09/23/23/261092323.db2.gz CURWZYQVMFFFTH-KBPBESRZSA-N 0 0 258.365 3.545 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1Cc2ccccc2C1 ZINC000154675028 261093790 /nfs/dbraw/zinc/09/37/90/261093790.db2.gz BWHWIIJTGISQMA-IAGOWNOFSA-N 0 0 269.388 3.745 10 0 CHAERN C[C@@H](SCC1CCC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000173858864 261173057 /nfs/dbraw/zinc/17/30/57/261173057.db2.gz YMERBJGTEYMQEQ-QWHCGFSZSA-N 0 0 277.433 3.786 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1cccc(O)c1 ZINC000175889031 261253044 /nfs/dbraw/zinc/25/30/44/261253044.db2.gz VTOFUDOLEGYMLQ-VUCTXSBTSA-N 0 0 287.403 3.786 10 0 CHAERN Cc1ccc(CN(C)C(=O)c2cccc3ncccc32)s1 ZINC000102735876 261269236 /nfs/dbraw/zinc/26/92/36/261269236.db2.gz LSHIXSBCYGLZJD-UHFFFAOYSA-N 0 0 296.395 3.877 10 0 CHAERN c1ccc(CSc2ccnc3ccccc32)nc1 ZINC000103915199 261287696 /nfs/dbraw/zinc/28/76/96/261287696.db2.gz VDXLMWXURZLEEC-UHFFFAOYSA-N 0 0 252.342 3.922 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)c2ccoc2)c2ccccc21 ZINC000162776207 261293596 /nfs/dbraw/zinc/29/35/96/261293596.db2.gz TUOQENIMBDXKIF-NHYWBVRUSA-N 0 0 255.317 3.648 10 0 CHAERN CC1(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000176635208 261300833 /nfs/dbraw/zinc/30/08/33/261300833.db2.gz QGEOFLLJQFUJTK-GHMZBOCLSA-N 0 0 292.345 3.597 10 0 CHAERN CC1(C)CCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000176614008 261301455 /nfs/dbraw/zinc/30/14/55/261301455.db2.gz IZMNVJHJNDEWKK-TZMCWYRMSA-N 0 0 276.380 3.705 10 0 CHAERN Fc1ccccc1SCc1nc(-c2ccoc2)no1 ZINC000105571462 261312394 /nfs/dbraw/zinc/31/23/94/261312394.db2.gz GYXFLKICGURMKK-UHFFFAOYSA-N 0 0 276.292 3.761 10 0 CHAERN Fc1c(Cl)cccc1NCc1nc(-c2ccoc2)no1 ZINC000105606362 261313343 /nfs/dbraw/zinc/31/33/43/261313343.db2.gz YLLSMMHEZDYDBO-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN Cc1ccccc1SCC(=O)N1Cc2ccccc2C1 ZINC000105980857 261321987 /nfs/dbraw/zinc/32/19/87/261321987.db2.gz JVDCAXFRUIRINO-UHFFFAOYSA-N 0 0 283.396 3.630 10 0 CHAERN COc1cccc(/C(C)=C/c2nc(-c3ccccn3)no2)c1 ZINC000177316235 261347184 /nfs/dbraw/zinc/34/71/84/261347184.db2.gz VDBRWWXXQMGKMR-ZRDIBKRKSA-N 0 0 293.326 3.701 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccccn2)o1 ZINC000173199696 261526071 /nfs/dbraw/zinc/52/60/71/261526071.db2.gz ZZQOOWPNMGCASJ-CQSZACIVSA-N 0 0 299.374 3.996 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2scnc2C(C)(C)C)o1 ZINC000176551884 261657075 /nfs/dbraw/zinc/65/70/75/261657075.db2.gz GCKAYPDJECWJBT-SNVBAGLBSA-N 0 0 292.404 3.833 10 0 CHAERN CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178442911 261742966 /nfs/dbraw/zinc/74/29/66/261742966.db2.gz BHHJPTYNEDXYNV-DZGCQCFKSA-N 0 0 290.407 3.588 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1ccc(Cl)cc1 ZINC000107078980 261879327 /nfs/dbraw/zinc/87/93/27/261879327.db2.gz FDQHBCAMIGUUDV-JTQLQIEISA-N 0 0 296.827 3.902 10 0 CHAERN CCS[C@@H](C)c1noc(CN[C@@H](C)c2ccc(C)o2)n1 ZINC000182571218 261943715 /nfs/dbraw/zinc/94/37/15/261943715.db2.gz FGYDOYOHFROSCE-QWRGUYRKSA-N 0 0 295.408 3.636 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCc3c2cccc3F)o1 ZINC000184413724 262019383 /nfs/dbraw/zinc/01/93/83/262019383.db2.gz LSKVWJBHQRSEJD-NSHDSACASA-N 0 0 288.322 3.560 10 0 CHAERN CCC[C@H](N[C@@H](C)c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000184495214 262021443 /nfs/dbraw/zinc/02/14/43/262021443.db2.gz BPTOLRCSBYEUCS-ZFWWWQNUSA-N 0 0 292.423 3.551 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cccc(CC)c2)C12CCOCC2 ZINC000186447569 262093838 /nfs/dbraw/zinc/09/38/38/262093838.db2.gz DKGGFUUOLSZMAX-IAGOWNOFSA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(F)c(C)c2)C12CCOCC2 ZINC000186469260 262094832 /nfs/dbraw/zinc/09/48/32/262094832.db2.gz PXGXBENKAUVPSZ-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN O=C(Nc1cccc2[nH]cnc21)C12CC3CC(CC(C3)C1)C2 ZINC000118728682 262117263 /nfs/dbraw/zinc/11/72/63/262117263.db2.gz GNDQABJYEAGIET-UHFFFAOYSA-N 0 0 295.386 3.718 10 0 CHAERN CC[C@H](C)[C@@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270135 262342266 /nfs/dbraw/zinc/34/22/66/262342266.db2.gz SHYLWSXMDOETQW-FYBHJDENSA-N 0 0 289.423 3.583 10 0 CHAERN CC[C@@H](N[C@H](C)c1ccc(C(C)(C)C)cc1)C(=O)OC ZINC000156905173 263329901 /nfs/dbraw/zinc/32/99/01/263329901.db2.gz IKRREEBKWGTEQV-IUODEOHRSA-N 0 0 277.408 3.586 10 0 CHAERN C[C@@H](Nc1cc(Cl)nc(C2CC2)n1)c1ccco1 ZINC000126487109 264220592 /nfs/dbraw/zinc/22/05/92/264220592.db2.gz VHDMAIFVFNBHDD-MRVPVSSYSA-N 0 0 263.728 3.774 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000126814011 264232493 /nfs/dbraw/zinc/23/24/93/264232493.db2.gz UYFPNRKJVHYAHT-HOTGVXAUSA-N 0 0 298.430 3.764 10 0 CHAERN Cc1cc(N[C@@H](C)C(C)C)ncc1Br ZINC000162925780 264337839 /nfs/dbraw/zinc/33/78/39/264337839.db2.gz YALBKFRZBOUSSN-VIFPVBQESA-N 0 0 257.175 3.609 10 0 CHAERN Clc1cnc(N[C@H]2CCCc3ccccc32)nc1 ZINC000093536358 265185207 /nfs/dbraw/zinc/18/52/07/265185207.db2.gz OCDVHFZDHVSBBF-ZDUSSCGKSA-N 0 0 259.740 3.620 10 0 CHAERN C[C@@H](Oc1ccc2cc(Br)ccc2c1)[C@H](C)O ZINC000094654890 265248820 /nfs/dbraw/zinc/24/88/20/265248820.db2.gz YUKIWERCJVRVOB-VHSXEESVSA-N 0 0 295.176 3.750 10 0 CHAERN C[C@H](O)[C@H](C)Oc1ccc2cc(Br)ccc2c1 ZINC000094654892 265248909 /nfs/dbraw/zinc/24/89/09/265248909.db2.gz YUKIWERCJVRVOB-UWVGGRQHSA-N 0 0 295.176 3.750 10 0 CHAERN C[C@@H](O)[C@@H](C)Oc1ccc2ccccc2c1Br ZINC000094654911 265248961 /nfs/dbraw/zinc/24/89/61/265248961.db2.gz BHBWSPVKWHFMJF-NXEZZACHSA-N 0 0 295.176 3.750 10 0 CHAERN COc1ccc(F)c(N[C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000094854301 265263672 /nfs/dbraw/zinc/26/36/72/265263672.db2.gz IZKUJVBJPHXHQJ-SNVBAGLBSA-N 0 0 289.306 3.736 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3)c(F)c1 ZINC000094915536 265270586 /nfs/dbraw/zinc/27/05/86/265270586.db2.gz WDEOKLILTIHGKK-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116046960 267121291 /nfs/dbraw/zinc/12/12/91/267121291.db2.gz BQIOBXZQYWAFAI-AUECHBEKSA-N 0 0 267.328 3.657 10 0 CHAERN O=C(c1cc(Cl)c(Cl)[nH]1)N1CCC[C@@H]1c1ccco1 ZINC000116210898 267133422 /nfs/dbraw/zinc/13/34/22/267133422.db2.gz SOOSVNTVPXZHLW-SNVBAGLBSA-N 0 0 299.157 3.892 10 0 CHAERN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@@H]1c1ccco1 ZINC000116212374 267133997 /nfs/dbraw/zinc/13/39/97/267133997.db2.gz VHZONHHNNNBABC-OAHLLOKOSA-N 0 0 298.317 3.877 10 0 CHAERN CC(=O)c1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116406007 267151864 /nfs/dbraw/zinc/15/18/64/267151864.db2.gz UQJPRWBPXYYYHJ-HNNXBMFYSA-N 0 0 298.342 3.851 10 0 CHAERN CCCCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116415253 267151874 /nfs/dbraw/zinc/15/18/74/267151874.db2.gz PHECUGXJOSAUBK-CYBMUJFWSA-N 0 0 264.369 3.706 10 0 CHAERN CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117566792 267216582 /nfs/dbraw/zinc/21/65/82/267216582.db2.gz FFWQOUIRZFBOAV-YVEFUNNKSA-N 0 0 297.354 3.589 10 0 CHAERN Cc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)ccn1 ZINC000119373885 267326408 /nfs/dbraw/zinc/32/64/08/267326408.db2.gz VGCDANKUBDXPLA-SNVBAGLBSA-N 0 0 291.301 3.551 10 0 CHAERN Cc1ccc(F)c(C(=O)N2C[C@H]3CCCCC[C@@H]32)c1 ZINC000371177709 267360498 /nfs/dbraw/zinc/36/04/98/267360498.db2.gz UKQQVKCGUOYLPE-DOMZBBRYSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1ccccc1Cl ZINC000171727156 327677020 /nfs/dbraw/zinc/67/70/20/327677020.db2.gz IBGDXBHGEYFMGT-WDEREUQCSA-N 0 0 298.839 3.548 10 0 CHAERN COC(=O)c1sccc1CN[C@H](C)c1cccc(C)c1 ZINC000378678791 327751191 /nfs/dbraw/zinc/75/11/91/327751191.db2.gz QZJXLUIJIFFBQF-GFCCVEGCSA-N 0 0 289.400 3.694 10 0 CHAERN Cc1ccc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117559152 327902551 /nfs/dbraw/zinc/90/25/51/327902551.db2.gz SGGNKFQYYNJFTG-CXAGYDPISA-N 0 0 281.355 3.807 10 0 CHAERN CCCC[C@@H](CC)CNC(=O)c1ccc2c(c1)CCN2 ZINC000040806429 328019403 /nfs/dbraw/zinc/01/94/03/328019403.db2.gz JWHNENDLGACLQE-CYBMUJFWSA-N 0 0 274.408 3.601 10 0 CHAERN FC(F)(F)c1ccc(N[C@H]2CCc3ccccc32)nn1 ZINC000270973041 328194196 /nfs/dbraw/zinc/19/41/96/328194196.db2.gz UAYSCRWRXDJILP-NSHDSACASA-N 0 0 279.265 3.595 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)c1ccccc1 ZINC000163577397 328216131 /nfs/dbraw/zinc/21/61/31/328216131.db2.gz SDOWLDHUWRVXOE-GJZGRUSLSA-N 0 0 267.372 3.976 10 0 CHAERN FC(F)(F)CCCCNc1cncc(Br)c1 ZINC000131650765 328493153 /nfs/dbraw/zinc/49/31/53/328493153.db2.gz GGGLIVPFWILHJF-UHFFFAOYSA-N 0 0 297.118 3.989 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ccc(Cl)cn2)s1 ZINC000134928852 328517901 /nfs/dbraw/zinc/51/79/01/328517901.db2.gz DDLLSQQFRXWELM-MRVPVSSYSA-N 0 0 267.785 3.927 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCOC1 ZINC000388991861 328600122 /nfs/dbraw/zinc/60/01/22/328600122.db2.gz PKBPVJXMQCXMSV-QWRGUYRKSA-N 0 0 273.298 3.932 10 0 CHAERN C[C@H]1C[C@@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCc3cc(O)ccc3[C@@H]21 ZINC000004369817 326811461 /nfs/dbraw/zinc/81/14/61/326811461.db2.gz DMSFWIJHZMGIJI-LSANITQOSA-N 0 0 286.415 3.855 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCOC1 ZINC000388991862 328600151 /nfs/dbraw/zinc/60/01/51/328600151.db2.gz PKBPVJXMQCXMSV-WDEREUQCSA-N 0 0 273.298 3.932 10 0 CHAERN CCCN(CC1CC1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081733 326823982 /nfs/dbraw/zinc/82/39/82/326823982.db2.gz HIFZISOSGTVKSO-KGLIPLIRSA-N 0 0 293.357 3.717 10 0 CHAERN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cccc(N)c1 ZINC000037808155 326862417 /nfs/dbraw/zinc/86/24/17/326862417.db2.gz BXUHOQMZQFHDAB-NSHDSACASA-N 0 0 288.778 3.755 10 0 CHAERN C[C@@H]1CC(c2noc(-c3cncc(F)c3)n2)C[C@@H](C)C1 ZINC000408222880 327297874 /nfs/dbraw/zinc/29/78/74/327297874.db2.gz CACJACMHISOUHA-UWVGGRQHSA-N 0 0 275.327 3.810 10 0 CHAERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C=O)cc1 ZINC000115455165 327300981 /nfs/dbraw/zinc/30/09/81/327300981.db2.gz KEXDPGQVLPTKFQ-RDTXWAMCSA-N 0 0 293.366 3.517 10 0 CHAERN CC1(C)CC[C@](O)(c2ccccc2Br)C1 ZINC000521400957 328674211 /nfs/dbraw/zinc/67/42/11/328674211.db2.gz DDKACVGHMKQCBV-CYBMUJFWSA-N 0 0 269.182 3.847 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H](C)C1)c1cccc(Cl)c1 ZINC000054064731 328685217 /nfs/dbraw/zinc/68/52/17/328685217.db2.gz BQZXZLCWQSNSLM-RYUDHWBXSA-N 0 0 280.799 3.843 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)c2ccccc2NC)cc1 ZINC000041636467 328714360 /nfs/dbraw/zinc/71/43/60/328714360.db2.gz OJNUJBCQXRHRRE-ZDUSSCGKSA-N 0 0 282.387 3.782 10 0 CHAERN Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103129812 328765881 /nfs/dbraw/zinc/76/58/81/328765881.db2.gz KFRXNBGNGFXIJY-UHFFFAOYSA-N 0 0 292.382 3.757 10 0 CHAERN CCCCN(C(=O)[C@H](C)COC)[C@H](C)c1ccccc1 ZINC000103373346 328768290 /nfs/dbraw/zinc/76/82/90/328768290.db2.gz IFXUWTXCJRSGTN-HUUCEWRRSA-N 0 0 277.408 3.659 10 0 CHAERN CC[C@@H](NC(=O)c1cccc(Br)c1)C(C)C ZINC000042550621 328769369 /nfs/dbraw/zinc/76/93/69/328769369.db2.gz UHAAZDCACCAOPG-GFCCVEGCSA-N 0 0 284.197 3.614 10 0 CHAERN C[C@@H](Nc1nnc(C(C)(C)C)s1)c1ccco1 ZINC000301716811 328829799 /nfs/dbraw/zinc/82/97/99/328829799.db2.gz HIJARDDPUQACNT-MRVPVSSYSA-N 0 0 251.355 3.602 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]1c1ccco1 ZINC000116040653 328933756 /nfs/dbraw/zinc/93/37/56/328933756.db2.gz AHECMEPMYZWYHR-OAHLLOKOSA-N 0 0 280.327 3.738 10 0 CHAERN O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccco1 ZINC000116042681 328933944 /nfs/dbraw/zinc/93/39/44/328933944.db2.gz CQQLMLPTNYIPPE-MRXNPFEDSA-N 0 0 292.338 3.805 10 0 CHAERN C[C@@H](NC(=O)Nc1ccncn1)c1ccc(C(C)(C)C)cc1 ZINC000194091567 329065405 /nfs/dbraw/zinc/06/54/05/329065405.db2.gz WKOKBHNBDHYENX-GFCCVEGCSA-N 0 0 298.390 3.657 10 0 CHAERN Cc1ccc2oc(C(=O)N3CCC[C@H]3c3ccco3)cc2n1 ZINC000172242073 329084161 /nfs/dbraw/zinc/08/41/61/329084161.db2.gz PJCRKNKJCRIHLM-ZDUSSCGKSA-N 0 0 296.326 3.707 10 0 CHAERN O=C(CCCC1CCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000173445578 329146999 /nfs/dbraw/zinc/14/69/99/329146999.db2.gz AUYZJXPLAUGJFK-MRXNPFEDSA-N 0 0 289.423 3.824 10 0 CHAERN CCCNC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173920994 329150978 /nfs/dbraw/zinc/15/09/78/329150978.db2.gz FZCNGXKRIJDYMQ-LBPRGKRZSA-N 0 0 295.452 3.566 10 0 CHAERN CCCNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173921003 329151075 /nfs/dbraw/zinc/15/10/75/329151075.db2.gz FZCNGXKRIJDYMQ-GFCCVEGCSA-N 0 0 295.452 3.566 10 0 CHAERN CCC[C@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174075917 329153984 /nfs/dbraw/zinc/15/39/84/329153984.db2.gz NUOPVSPLWCVMBG-ZDUSSCGKSA-N 0 0 292.398 3.665 10 0 CHAERN C[C@@H](NC(=O)N1CCCC[C@H]1c1cccn1C)C(C)(C)C ZINC000175504902 329168987 /nfs/dbraw/zinc/16/89/87/329168987.db2.gz JQCLAZODCMTDMR-HIFRSBDPSA-N 0 0 291.439 3.696 10 0 CHAERN O=C(CCC1CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000175878839 329170519 /nfs/dbraw/zinc/17/05/19/329170519.db2.gz GTOSPSWBCSQMAT-VXGBXAGGSA-N 0 0 277.330 3.804 10 0 CHAERN O=C(CCC1CCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000175878850 329170584 /nfs/dbraw/zinc/17/05/84/329170584.db2.gz GTOSPSWBCSQMAT-NEPJUHHUSA-N 0 0 277.330 3.804 10 0 CHAERN CCC1(C(=O)N2CC=C(c3cccs3)CC2)CCC1 ZINC000177399002 329183886 /nfs/dbraw/zinc/18/38/86/329183886.db2.gz KXFJAZYBEHGGDK-UHFFFAOYSA-N 0 0 275.417 3.944 10 0 CHAERN CC(C)[C@H](C)CC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000178699482 329202340 /nfs/dbraw/zinc/20/23/40/329202340.db2.gz MXPMCAINJIQZLU-GFCCVEGCSA-N 0 0 271.364 3.697 10 0 CHAERN CCC[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccn1 ZINC000179894729 329213283 /nfs/dbraw/zinc/21/32/83/329213283.db2.gz DIXCCAUVZVVLGX-MRXNPFEDSA-N 0 0 297.402 3.864 10 0 CHAERN C[C@H]1C[C@H](C(=O)NCc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180616795 329221201 /nfs/dbraw/zinc/22/12/01/329221201.db2.gz OYSKFSANDYVWIF-RYUDHWBXSA-N 0 0 294.826 3.814 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180616776 329221273 /nfs/dbraw/zinc/22/12/73/329221273.db2.gz OYSKFSANDYVWIF-NEPJUHHUSA-N 0 0 294.826 3.814 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000181244839 329227485 /nfs/dbraw/zinc/22/74/85/329227485.db2.gz DZKNDNOYCPYLFD-MEDUHNTESA-N 0 0 269.344 3.560 10 0 CHAERN COc1cccnc1N(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000181178877 329233071 /nfs/dbraw/zinc/23/30/71/329233071.db2.gz LOVKJWCFJGPORO-QWHCGFSZSA-N 0 0 290.407 3.515 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181188730 329233380 /nfs/dbraw/zinc/23/33/80/329233380.db2.gz NNSQXZIBWZTODM-ZYHUDNBSSA-N 0 0 278.396 3.946 10 0 CHAERN C[C@@H](NCc1noc(-c2ccsc2)n1)c1cccs1 ZINC000182545195 329242869 /nfs/dbraw/zinc/24/28/69/329242869.db2.gz VBKVHWJHYDHDHE-SECBINFHSA-N 0 0 291.401 3.710 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccoc2)n1 ZINC000183440291 329247559 /nfs/dbraw/zinc/24/75/59/329247559.db2.gz FCGHBJPRIYTIOO-ZDUSSCGKSA-N 0 0 267.332 3.947 10 0 CHAERN CCc1nc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000183714216 329249691 /nfs/dbraw/zinc/24/96/91/329249691.db2.gz AUPGAYYCFBTDTG-VXGBXAGGSA-N 0 0 294.464 3.784 10 0 CHAERN CCc1cnc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000184066074 329255595 /nfs/dbraw/zinc/25/55/95/329255595.db2.gz BKLRIDHFIAAPQQ-NWDGAFQWSA-N 0 0 294.464 3.784 10 0 CHAERN C[C@@H](CCc1ccco1)Nc1cccc2c1OCC[C@H]2O ZINC000184567690 329260070 /nfs/dbraw/zinc/26/00/70/329260070.db2.gz GSAULQRYVOJBFJ-BLLLJJGKSA-N 0 0 287.359 3.529 10 0 CHAERN C[C@@H](CCc1ccccc1)Nc1cccc2c1OCC[C@H]2O ZINC000184568364 329260109 /nfs/dbraw/zinc/26/01/09/329260109.db2.gz WTEOGMZKLHGJCM-KBXCAEBGSA-N 0 0 297.398 3.936 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCCC2(CC2)C1 ZINC000185044157 329264935 /nfs/dbraw/zinc/26/49/35/329264935.db2.gz NQXNQCSTWBEWGU-INIZCTEOSA-N 0 0 284.403 3.650 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185199704 329267577 /nfs/dbraw/zinc/26/75/77/329267577.db2.gz QYMCVEYWGTUTFK-GOEBONIOSA-N 0 0 299.370 3.525 10 0 CHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccoc1 ZINC000186060606 329336909 /nfs/dbraw/zinc/33/69/09/329336909.db2.gz VQNGZPQWDSTOAH-CYBMUJFWSA-N 0 0 279.343 3.587 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(C)c(F)c2)C12CCOCC2 ZINC000186447370 329342764 /nfs/dbraw/zinc/34/27/64/329342764.db2.gz GTPJASHFOOTURE-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@@H](CCC1CC1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186535551 329344857 /nfs/dbraw/zinc/34/48/57/329344857.db2.gz GVVQTQPEIFKDEC-NSHDSACASA-N 0 0 273.380 3.655 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccsc1 ZINC000186537365 329344868 /nfs/dbraw/zinc/34/48/68/329344868.db2.gz VGWRPCHTCPJZOS-SNVBAGLBSA-N 0 0 287.388 3.899 10 0 CHAERN CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548581 329345178 /nfs/dbraw/zinc/34/51/78/329345178.db2.gz WLFFXMLUZDTTFC-WDEREUQCSA-N 0 0 261.369 3.510 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1Cl ZINC000321360272 329348323 /nfs/dbraw/zinc/34/83/23/329348323.db2.gz CUGXUZRTZHGKDJ-KBVBSXBZSA-N 0 0 266.772 3.755 10 0 CHAERN Cc1nc(CC(C)C)oc1C(=O)N[C@H](C)c1cccs1 ZINC000188344586 329366349 /nfs/dbraw/zinc/36/63/49/329366349.db2.gz LSOIHXFSPVPOHH-SNVBAGLBSA-N 0 0 292.404 3.734 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ncc(Cl)cc2Cl)o1 ZINC000231747368 329378745 /nfs/dbraw/zinc/37/87/45/329378745.db2.gz OCNUTXOOJAPVDM-SSDOTTSWSA-N 0 0 272.135 3.858 10 0 CHAERN CC[C@@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190360062 329395422 /nfs/dbraw/zinc/39/54/22/329395422.db2.gz SWBDSNZEFWNXCL-VWYCJHECSA-N 0 0 252.358 3.502 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C(C2CC2)C2CC2)n1 ZINC000190374110 329395657 /nfs/dbraw/zinc/39/56/57/329395657.db2.gz ZXFGNOWJLPDBCS-JSGCOSHPSA-N 0 0 290.407 3.892 10 0 CHAERN CCn1ccnc1CSCc1cc(OC)ccc1Cl ZINC000190967713 329403670 /nfs/dbraw/zinc/40/36/70/329403670.db2.gz ZJXASBCLIIHRIV-UHFFFAOYSA-N 0 0 296.823 3.998 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)C1CC1 ZINC000191206269 329410810 /nfs/dbraw/zinc/41/08/10/329410810.db2.gz CHLYOCGCSVKEIR-YPMHNXCESA-N 0 0 293.357 3.717 10 0 CHAERN CCc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)c2ccccc2n1 ZINC000191943982 329422543 /nfs/dbraw/zinc/42/25/43/329422543.db2.gz ASQALQBDSWMSHR-OCCSQVGLSA-N 0 0 298.386 3.551 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ncc[nH]1 ZINC000124799470 329573851 /nfs/dbraw/zinc/57/38/51/329573851.db2.gz QWZXDWJYDVFYLP-JGVFFNPUSA-N 0 0 255.774 3.536 10 0 CHAERN CSC[C@H](C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125200142 329578819 /nfs/dbraw/zinc/57/88/19/329578819.db2.gz HWWUTLGVFXWPBM-HUBLWGQQSA-N 0 0 277.433 3.740 10 0 CHAERN COCc1ccc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)o1 ZINC000125338727 329581388 /nfs/dbraw/zinc/58/13/88/329581388.db2.gz LYRCHDTWMTYJGA-BLLLJJGKSA-N 0 0 299.370 3.794 10 0 CHAERN CCCC[C@@H](CC)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125748717 329586699 /nfs/dbraw/zinc/58/66/99/329586699.db2.gz OKADXAMRBODKJY-CQSZACIVSA-N 0 0 291.439 3.722 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045125391 329597004 /nfs/dbraw/zinc/59/70/04/329597004.db2.gz YNLVNHOAMHGKLH-ZWNOBZJWSA-N 0 0 296.411 3.706 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000128945786 329613362 /nfs/dbraw/zinc/61/33/62/329613362.db2.gz BQZRCEQMDUTFOP-AAEUAGOBSA-N 0 0 279.405 3.693 10 0 CHAERN O=C(Nc1cccc(O)c1F)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000129755191 329620135 /nfs/dbraw/zinc/62/01/35/329620135.db2.gz BNWSBXUEVILJPL-VXGBXAGGSA-N 0 0 277.339 3.686 10 0 CHAERN COc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1F ZINC000048449281 329626437 /nfs/dbraw/zinc/62/64/37/329626437.db2.gz DACPKKCDOPLNIG-SECBINFHSA-N 0 0 294.351 3.779 10 0 CHAERN CCC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130759848 329627625 /nfs/dbraw/zinc/62/76/25/329627625.db2.gz KLJHZIUYUCDSRY-HOCLYGCPSA-N 0 0 298.434 3.806 10 0 CHAERN CC[C@]1(C)C[C@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000131058392 329631059 /nfs/dbraw/zinc/63/10/59/329631059.db2.gz ZEQMWWDTQAFSQF-XJKSGUPXSA-N 0 0 275.417 3.800 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000132660192 329648117 /nfs/dbraw/zinc/64/81/17/329648117.db2.gz UZXUEHRMNOXXFO-CHWSQXEVSA-N 0 0 276.380 3.700 10 0 CHAERN CCn1ccnc1C[S@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000133717959 329655093 /nfs/dbraw/zinc/65/50/93/329655093.db2.gz NBGNAFFXIJMLGC-NSPYISDASA-N 0 0 296.823 3.566 10 0 CHAERN CC(C)(C)CC(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555341 329682532 /nfs/dbraw/zinc/68/25/32/329682532.db2.gz BQSUKXRPTWPANF-OAHLLOKOSA-N 0 0 289.419 3.740 10 0 CHAERN CCn1c(C)nnc1CSc1ccc(C)cc1C ZINC000194667795 329687828 /nfs/dbraw/zinc/68/78/28/329687828.db2.gz KSWXUHQMAKCNHU-UHFFFAOYSA-N 0 0 261.394 3.516 10 0 CHAERN Cn1c(CNc2ccc(Cl)c(Cl)c2)nnc1C1CC1 ZINC000194981348 329689980 /nfs/dbraw/zinc/68/99/80/329689980.db2.gz SDWQWSIKTOJEAX-UHFFFAOYSA-N 0 0 297.189 3.611 10 0 CHAERN c1csc([C@@H]2CCCCN2Cc2cn3ccccc3n2)n1 ZINC000195440169 329692054 /nfs/dbraw/zinc/69/20/54/329692054.db2.gz DEYLCYHTQNQRCP-AWEZNQCLSA-N 0 0 298.415 3.518 10 0 CHAERN CC(C)n1ccnc1CSc1nc2ccccc2o1 ZINC000195516649 329693519 /nfs/dbraw/zinc/69/35/19/329693519.db2.gz FBPNGNRWKMWFHL-UHFFFAOYSA-N 0 0 273.361 3.898 10 0 CHAERN C[C@H]1CN(Cc2noc(C(C)(C)C)n2)[C@H]1c1ccccc1 ZINC000245434350 329698719 /nfs/dbraw/zinc/69/87/19/329698719.db2.gz PRGMMBOQRZKLGQ-SWLSCSKDSA-N 0 0 285.391 3.560 10 0 CHAERN COc1c(F)cc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000245650554 329719738 /nfs/dbraw/zinc/71/97/38/329719738.db2.gz ATKPCINZPIONMQ-COLVAYQJSA-N 0 0 297.345 3.589 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000245671942 329722842 /nfs/dbraw/zinc/72/28/42/329722842.db2.gz HMYMJHZAASEULF-YNEHKIRRSA-N 0 0 293.407 3.563 10 0 CHAERN O=Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000066627694 329849456 /nfs/dbraw/zinc/84/94/56/329849456.db2.gz XFJVNBZVBNJGIE-QGZVFWFLSA-N 0 0 297.329 3.616 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048376 329850282 /nfs/dbraw/zinc/85/02/82/329850282.db2.gz AHVWMNZTCRHSGD-STQMWFEESA-N 0 0 280.437 3.675 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067046762 329850462 /nfs/dbraw/zinc/85/04/62/329850462.db2.gz GNYCEALRLLJNJO-QWHCGFSZSA-N 0 0 280.437 3.531 10 0 CHAERN Cn1c(CSc2ccnc3ccccc32)nnc1C1CC1 ZINC000068053320 329851775 /nfs/dbraw/zinc/85/17/75/329851775.db2.gz ISFHWSXVNIMLJB-UHFFFAOYSA-N 0 0 296.399 3.533 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000070057592 329855001 /nfs/dbraw/zinc/85/50/01/329855001.db2.gz NVPJNVYRKKAXDJ-INIZCTEOSA-N 0 0 272.392 3.506 10 0 CHAERN CCC1CCC(NC(=O)CCC(=O)c2ccccc2)CC1 ZINC000074385486 329864187 /nfs/dbraw/zinc/86/41/87/329864187.db2.gz ZMFQIESIAZHQQA-UHFFFAOYSA-N 0 0 287.403 3.735 10 0 CHAERN C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000246656997 329868690 /nfs/dbraw/zinc/86/86/90/329868690.db2.gz PRKMXCYZHOEKMI-MCIONIFRSA-N 0 0 261.365 3.769 10 0 CHAERN CCCCC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078185784 329944375 /nfs/dbraw/zinc/94/43/75/329944375.db2.gz CXPSCOYURSLBBO-UKRRQHHQSA-N 0 0 275.392 3.590 10 0 CHAERN CC(C)C[C@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263014007 330038768 /nfs/dbraw/zinc/03/87/68/330038768.db2.gz CPYOIOFHCUGSHT-TZMCWYRMSA-N 0 0 297.826 3.608 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162674510 330107300 /nfs/dbraw/zinc/10/73/00/330107300.db2.gz XDEIYMIKAKLQGC-HEHGZKQESA-N 0 0 275.392 3.556 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)C2CCCC2)c2ccccc21 ZINC000162729442 330110594 /nfs/dbraw/zinc/11/05/94/330110594.db2.gz ONYCOOKOJPUQKT-MLGOLLRUSA-N 0 0 257.377 3.931 10 0 CHAERN C[C@H](NC(=O)C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000162797847 330115568 /nfs/dbraw/zinc/11/55/68/330115568.db2.gz FTIYKYFDDATRMH-JTQLQIEISA-N 0 0 277.795 3.953 10 0 CHAERN C[C@@H](CCc1ccccc1)SCC(=O)NC(C)(C)C ZINC000105633066 330329247 /nfs/dbraw/zinc/32/92/47/330329247.db2.gz QENNGENPZKXOJL-ZDUSSCGKSA-N 0 0 279.449 3.656 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NC(=O)C[C@H]2CCCO2)cc1 ZINC000046762387 330356239 /nfs/dbraw/zinc/35/62/39/330356239.db2.gz SCVMCMVXVLWVOI-WMLDXEAASA-N 0 0 289.419 3.631 10 0 CHAERN CCC[C@H]([NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-] ZINC000086962550 330371316 /nfs/dbraw/zinc/37/13/16/330371316.db2.gz WGKKHLQLJQEYBD-MJBXVCDLSA-N 0 0 269.429 3.824 10 0 CHAERN CCc1ccsc1CNc1cc(Cl)nc(C)n1 ZINC000088290711 330375663 /nfs/dbraw/zinc/37/56/63/330375663.db2.gz IBRANEPXQCUUOI-UHFFFAOYSA-N 0 0 267.785 3.674 10 0 CHAERN CC(C)n1cc(O[C@@H]2CCC[C@@H]3C[C@H]3CCC[C@H]2O)cn1 ZINC000536956256 330383159 /nfs/dbraw/zinc/38/31/59/330383159.db2.gz XWDZVMXEJSXYQR-MUIFIZLQSA-N 0 0 292.423 3.563 10 0 CHAERN C[C@@H]1CCCC[C@@]12C[C@@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956540 330383297 /nfs/dbraw/zinc/38/32/97/330383297.db2.gz YNANVRPIAGMPJA-XJKCOSOUSA-N 0 0 283.412 3.591 10 0 CHAERN CCc1onc(C)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000089419349 330384907 /nfs/dbraw/zinc/38/49/07/330384907.db2.gz LVKVRDFSMJHOCF-LLVKDONJSA-N 0 0 289.335 3.507 10 0 CHAERN Cc1cccc(NC(=O)N[C@H](C)C(C)C)c1Br ZINC000120672866 330390296 /nfs/dbraw/zinc/39/02/96/330390296.db2.gz YLCHZHCYFZHXCG-SNVBAGLBSA-N 0 0 299.212 3.924 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000121031772 330395246 /nfs/dbraw/zinc/39/52/46/330395246.db2.gz LWPBBECHFAUTTG-WDEREUQCSA-N 0 0 294.361 3.985 10 0 CHAERN CCn1c(C)nnc1CS[C@@H](C)c1cc(F)ccc1F ZINC000091029052 330397866 /nfs/dbraw/zinc/39/78/66/330397866.db2.gz ZWKCMWQXRPYEQK-VIFPVBQESA-N 0 0 297.374 3.879 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NCc1cc[nH]c1 ZINC000091478168 330401120 /nfs/dbraw/zinc/40/11/20/330401120.db2.gz BWDHDQOUSSGWSN-UHFFFAOYSA-N 0 0 254.255 3.954 10 0 CHAERN C[C@@H](NC(=O)COC(C)(C)C)c1ccc(C(C)(C)C)cc1 ZINC000164745524 331303314 /nfs/dbraw/zinc/30/33/14/331303314.db2.gz PTKJBCIEOZHXNE-CYBMUJFWSA-N 0 0 291.435 3.976 10 0 CHAERN CCOc1cc(N[C@@H](C)c2cncs2)ccc1OC ZINC000165100126 331305773 /nfs/dbraw/zinc/30/57/73/331305773.db2.gz CFUZWVPHDFUZFZ-JTQLQIEISA-N 0 0 278.377 3.724 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1nccnc1C(C)C ZINC000472358738 331536270 /nfs/dbraw/zinc/53/62/70/331536270.db2.gz CJTSLKVWNCUAGL-ZDUSSCGKSA-N 0 0 255.365 3.503 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)c(C)c1 ZINC000172969614 332955867 /nfs/dbraw/zinc/95/58/67/332955867.db2.gz DEPGJJLIUCXPRX-INIZCTEOSA-N 0 0 297.398 3.639 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCC2CCC2)o1 ZINC000174041545 332989439 /nfs/dbraw/zinc/98/94/39/332989439.db2.gz DPZZYVFYNGTVQR-CQSZACIVSA-N 0 0 276.380 3.625 10 0 CHAERN Cc1nn(Cc2ccccc2)c(N)c1-c1cccc(C)c1 ZINC000306542662 333007546 /nfs/dbraw/zinc/00/75/46/333007546.db2.gz VEWCEDFKYUWBPB-UHFFFAOYSA-N 0 0 277.371 3.797 10 0 CHAERN Cc1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)sn1 ZINC000176416651 333042029 /nfs/dbraw/zinc/04/20/29/333042029.db2.gz MNIBAZMNWGSJRY-RYUDHWBXSA-N 0 0 264.394 3.606 10 0 CHAERN CC(C)n1ccnc1CN1c2ccccc2N(C)CC[C@H]1C ZINC000176900594 333050234 /nfs/dbraw/zinc/05/02/34/333050234.db2.gz JABHLWGFGFDXDC-OAHLLOKOSA-N 0 0 298.434 3.699 10 0 CHAERN CCc1cc(=O)[nH]c(CN[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000177505036 333059868 /nfs/dbraw/zinc/05/98/68/333059868.db2.gz ONGKHELSRWIMPB-ZDUSSCGKSA-N 0 0 299.418 3.719 10 0 CHAERN CCc1cc(CC)nc(N[C@H](C)c2cccs2)n1 ZINC000310777080 333061447 /nfs/dbraw/zinc/06/14/47/333061447.db2.gz OBNAFHNWDNKBKD-SNVBAGLBSA-N 0 0 261.394 3.836 10 0 CHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000178445401 333073082 /nfs/dbraw/zinc/07/30/82/333073082.db2.gz CLKVCWBGPSVLFT-WOPDTQHZSA-N 0 0 280.799 3.841 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CC=CCC2)cc1F ZINC000088234275 333087318 /nfs/dbraw/zinc/08/73/18/333087318.db2.gz VBZORSDFUJJLAO-QWHCGFSZSA-N 0 0 261.340 3.668 10 0 CHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000183607790 333121321 /nfs/dbraw/zinc/12/13/21/333121321.db2.gz BJJGHPMMIDDWLY-DZGCQCFKSA-N 0 0 289.419 3.622 10 0 CHAERN COC[C@@H](C)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000184382515 333127866 /nfs/dbraw/zinc/12/78/66/333127866.db2.gz JSTYNKLWPMHUMY-CQSZACIVSA-N 0 0 295.382 3.525 10 0 CHAERN CC/C=C/CCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000184586687 333130124 /nfs/dbraw/zinc/13/01/24/333130124.db2.gz KTYGUYJYGWAFOG-AATRIKPKSA-N 0 0 277.412 3.908 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(OC)cc2F)CC1 ZINC000220960575 333171359 /nfs/dbraw/zinc/17/13/59/333171359.db2.gz WENPVXZHTZXTHJ-UHFFFAOYSA-N 0 0 279.355 3.533 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190286450 333205159 /nfs/dbraw/zinc/20/51/59/333205159.db2.gz DOGHTFXMVRCNAO-WFASDCNBSA-N 0 0 275.392 3.738 10 0 CHAERN CCc1ccccc1CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000190518102 333207876 /nfs/dbraw/zinc/20/78/76/333207876.db2.gz VURJJWLNALYGGC-CYBMUJFWSA-N 0 0 271.360 3.570 10 0 CHAERN CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190553678 333208067 /nfs/dbraw/zinc/20/80/67/333208067.db2.gz IWABKTJRLWENMK-RHSMWYFYSA-N 0 0 289.419 3.584 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000190623644 333209103 /nfs/dbraw/zinc/20/91/03/333209103.db2.gz KBIBNKQCCUQPOJ-ZQIUZPCESA-N 0 0 289.419 3.802 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191704618 333223982 /nfs/dbraw/zinc/22/39/82/333223982.db2.gz HSYOXCSXIOVJDF-GARJFASQSA-N 0 0 265.319 3.660 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@H]2CCCO[C@@H]2C)C(C)C)c1 ZINC000191893662 333226930 /nfs/dbraw/zinc/22/69/30/333226930.db2.gz JLKJUCXGGVFIIL-CVEARBPZSA-N 0 0 289.419 3.860 10 0 CHAERN C[C@H](NC(=O)c1c(O)cccc1F)c1cccc(Cl)c1 ZINC000228832949 333297532 /nfs/dbraw/zinc/29/75/32/333297532.db2.gz ZVIURRFDUNWNIB-VIFPVBQESA-N 0 0 293.725 3.676 10 0 CHAERN CCOc1cc(C)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250403079 333305199 /nfs/dbraw/zinc/30/51/99/333305199.db2.gz SBCVJICSTIZGOV-APHBMKBZSA-N 0 0 275.392 3.619 10 0 CHAERN CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000250401328 333305208 /nfs/dbraw/zinc/30/52/08/333305208.db2.gz LWVATFLPOYSQPJ-HEHGZKQESA-N 0 0 291.391 3.618 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(Br)c1 ZINC000230054917 333312512 /nfs/dbraw/zinc/31/25/12/333312512.db2.gz WHUDALCAJAMQOI-GWCFXTLKSA-N 0 0 296.208 3.502 10 0 CHAERN Cc1cc(Br)cnc1NC(=O)[C@@H]1CCC[C@H]1C ZINC000230060179 333312664 /nfs/dbraw/zinc/31/26/64/333312664.db2.gz DSBXNEVYWJZODD-LDYMZIIASA-N 0 0 297.196 3.527 10 0 CHAERN CCCC[C@@H](N[C@@H](C)c1cccc(Cl)c1)C(=O)OC ZINC000230488088 333318724 /nfs/dbraw/zinc/31/87/24/333318724.db2.gz VOHOCMZFDYBFDR-SMDDNHRTSA-N 0 0 283.799 3.722 10 0 CHAERN CCCC[C@H](N[C@@H](C)c1ccc(C)c(F)c1)C(=O)OC ZINC000230500030 333318866 /nfs/dbraw/zinc/31/88/66/333318866.db2.gz MZMKFWKUSBFHAZ-WFASDCNBSA-N 0 0 281.371 3.517 10 0 CHAERN Cc1ccccc1[C@@H](C)Nc1ccnc2cccnc21 ZINC000338641866 335137310 /nfs/dbraw/zinc/13/73/10/335137310.db2.gz OGZVCZWURDBQEE-CYBMUJFWSA-N 0 0 263.344 3.533 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@@H](OC(C)(C)C)c1ccccc1 ZINC000128330799 333659864 /nfs/dbraw/zinc/65/98/64/333659864.db2.gz LTZYEAUNXVAADK-HIFRSBDPSA-N 0 0 277.408 3.704 10 0 CHAERN CCCCCC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128556194 333685999 /nfs/dbraw/zinc/68/59/99/333685999.db2.gz OYTOXJUMITXAKX-CYBMUJFWSA-N 0 0 287.325 3.857 10 0 CHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)C1CCCCC1 ZINC000128690484 333699937 /nfs/dbraw/zinc/69/99/37/333699937.db2.gz FNOZJVHWZXJLOI-AWEZNQCLSA-N 0 0 299.336 3.857 10 0 CHAERN CN(C)c1ccccc1N(C)C(=O)c1ccc2cc[nH]c2c1 ZINC000128813998 333710926 /nfs/dbraw/zinc/71/09/26/333710926.db2.gz FZJREXPQHSTGIR-UHFFFAOYSA-N 0 0 293.370 3.511 10 0 CHAERN C[C@H](NCc1ccon1)c1c(Cl)ccc(F)c1Cl ZINC000129029754 333738418 /nfs/dbraw/zinc/73/84/18/333738418.db2.gz IYNMIKMWHLAIOD-ZETCQYMHSA-N 0 0 289.137 3.971 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2ccccn2)cc1 ZINC000129534665 333775835 /nfs/dbraw/zinc/77/58/35/333775835.db2.gz ZSBYVZHROCNSNH-IRXDYDNUSA-N 0 0 294.398 3.972 10 0 CHAERN CC[C@H](C(=O)N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000069721848 333785600 /nfs/dbraw/zinc/78/56/00/333785600.db2.gz PJITZTYSDMCYEP-HIFRSBDPSA-N 0 0 271.360 3.959 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1 ZINC000071214814 333848911 /nfs/dbraw/zinc/84/89/11/333848911.db2.gz XWRQIGFMZXUYSF-UHFFFAOYSA-N 0 0 286.762 3.950 10 0 CHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@H]1C[C@@H]1C ZINC000075977344 334064048 /nfs/dbraw/zinc/06/40/48/334064048.db2.gz XKSFIIQXVNQJJN-GAFUQQFSSA-N 0 0 272.348 3.510 10 0 CHAERN Cc1c(NC(=O)N[C@@H]2C[C@@H]2C)cccc1C(F)(F)F ZINC000135242986 334121466 /nfs/dbraw/zinc/12/14/66/334121466.db2.gz NMUZPCXVIJRVDV-WRWORJQWSA-N 0 0 272.270 3.544 10 0 CHAERN CC(C)OCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000078420011 334133315 /nfs/dbraw/zinc/13/33/15/334133315.db2.gz PHUUESMTOBGUGZ-AWEZNQCLSA-N 0 0 277.408 3.802 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1c(Cl)cccc1Cl ZINC000078537612 334135318 /nfs/dbraw/zinc/13/53/18/334135318.db2.gz OJNNTMWGQQKRBI-MRVPVSSYSA-N 0 0 260.164 3.768 10 0 CHAERN CCN(CC)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000079213169 334150354 /nfs/dbraw/zinc/15/03/54/334150354.db2.gz HULYGXZUKWMGML-JTQLQIEISA-N 0 0 299.212 3.562 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cccc(-c3nnco3)c2)C1 ZINC000080428724 334171214 /nfs/dbraw/zinc/17/12/14/334171214.db2.gz OUCQDKLTBCKXOZ-BXUZGUMPSA-N 0 0 257.337 3.727 10 0 CHAERN CCCNC(=O)c1cccc(N[C@@H]2CC[C@H](CC)C2)c1 ZINC000080430799 334171494 /nfs/dbraw/zinc/17/14/94/334171494.db2.gz YEJBWOHQJKSJSL-XJKSGUPXSA-N 0 0 274.408 3.817 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(F)c(NC(C)=O)c2)C1 ZINC000080457329 334171736 /nfs/dbraw/zinc/17/17/36/334171736.db2.gz FNVOAHCSDPPBEU-NWDGAFQWSA-N 0 0 264.344 3.775 10 0 CHAERN CC[C@@H](C)Oc1cccc(NC[C@@H](O)C(C)(C)C)c1 ZINC000311535054 334226846 /nfs/dbraw/zinc/22/68/46/334226846.db2.gz HQKPBFIMSWBDMP-IUODEOHRSA-N 0 0 265.397 3.683 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246202304 334240423 /nfs/dbraw/zinc/24/04/23/334240423.db2.gz MHORBIJDCXJMGC-GWESGZDDSA-N 0 0 284.186 3.622 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]2CCC[C@H]21 ZINC000246692477 334267222 /nfs/dbraw/zinc/26/72/22/334267222.db2.gz BWLQGLIZCCYKSK-QBPKDAKJSA-N 0 0 275.436 3.994 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)CCC[C@H]2C)o1 ZINC000247392798 334280038 /nfs/dbraw/zinc/28/00/38/334280038.db2.gz GVEKIYLHRUXCOW-SCRDCRAPSA-N 0 0 278.396 3.869 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248508328 334304511 /nfs/dbraw/zinc/30/45/11/334304511.db2.gz ZRBRYXXQODVGDU-BYNQJWBRSA-N 0 0 291.357 3.906 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)C1 ZINC000248566538 334306397 /nfs/dbraw/zinc/30/63/97/334306397.db2.gz NLTYLCLAQQZQMR-UXXRCYHCSA-N 0 0 281.440 3.521 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCS[C@H](C)CC2)CC(C)(C)C1 ZINC000248658134 334311395 /nfs/dbraw/zinc/31/13/95/334311395.db2.gz FVVCEQQMMVDIKU-MCIONIFRSA-N 0 0 283.481 3.803 10 0 CHAERN Clc1csc(CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000248738917 334315460 /nfs/dbraw/zinc/31/54/60/334315460.db2.gz PNYPGUCGXIAZKD-CHWSQXEVSA-N 0 0 271.813 3.545 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)CC2)s1 ZINC000249091704 334327351 /nfs/dbraw/zinc/32/73/51/334327351.db2.gz NNYWACUZDBFBEP-KGYLQXTDSA-N 0 0 295.452 3.781 10 0 CHAERN CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000249293553 334331658 /nfs/dbraw/zinc/33/16/58/334331658.db2.gz BMOOYMMBOMXQIT-HRCADAONSA-N 0 0 281.440 3.619 10 0 CHAERN CCc1nnc(CSCc2c(C)cc(C)cc2C)n1C ZINC000091029296 334370990 /nfs/dbraw/zinc/37/09/90/334370990.db2.gz WLPRDEYHCDMQNY-UHFFFAOYSA-N 0 0 289.448 3.736 10 0 CHAERN COc1ccc([C@H](C)C(=O)NC/C=C\c2ccccc2)cc1 ZINC000255034001 334503525 /nfs/dbraw/zinc/50/35/25/334503525.db2.gz DMHARUFQVAJNSV-AJHXJQRKSA-N 0 0 295.382 3.628 10 0 CHAERN CN(C(=O)N[C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000153025000 334543538 /nfs/dbraw/zinc/54/35/38/334543538.db2.gz SFGCSHVROKXVGO-HNNXBMFYSA-N 0 0 272.392 3.504 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1F ZINC000153268728 334578954 /nfs/dbraw/zinc/57/89/54/334578954.db2.gz RZKSJFJADZZSCW-MRXNPFEDSA-N 0 0 287.309 3.772 10 0 CHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@H]1C[C@@H]1C ZINC000153586556 334674387 /nfs/dbraw/zinc/67/43/87/334674387.db2.gz AIUONBJEEORXRJ-NHYWBVRUSA-N 0 0 274.408 3.591 10 0 CHAERN Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000154254193 334691704 /nfs/dbraw/zinc/69/17/04/334691704.db2.gz NJEHAWADVFJNEJ-QMTHXVAHSA-N 0 0 285.347 3.743 10 0 CHAERN CCCCO[C@H](C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157628580 334778565 /nfs/dbraw/zinc/77/85/65/334778565.db2.gz BVNGBFZBFDBAGA-WBMJQRKESA-N 0 0 293.382 3.525 10 0 CHAERN C[C@@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000157706115 334781458 /nfs/dbraw/zinc/78/14/58/334781458.db2.gz HURBJQAHYFKPPH-SJKOYZFVSA-N 0 0 298.361 3.518 10 0 CHAERN CCCCOC[C@H](O)CNc1ccc(C2CCC2)cc1 ZINC000576979837 335272426 /nfs/dbraw/zinc/27/24/26/335272426.db2.gz OSHKYXSZEWBIJE-QGZVFWFLSA-N 0 0 277.408 3.544 10 0 CHAERN Cc1cc(C)cc(CSCc2nnc(C(C)C)n2C)c1 ZINC000176956433 335344806 /nfs/dbraw/zinc/34/48/06/335344806.db2.gz NUVGQDVUYMXAMN-UHFFFAOYSA-N 0 0 289.448 3.989 10 0 CHAERN CC(C)c1nnc(CSc2ccc3c(c2)CCC3)n1C ZINC000194677787 336036767 /nfs/dbraw/zinc/03/67/67/336036767.db2.gz SGWNCIAOBZWRJE-UHFFFAOYSA-N 0 0 287.432 3.720 10 0 CHAERN CCCc1nc(N(CC(F)(F)F)C(C)C)sc1C=O ZINC000054967480 521531074 /nfs/dbraw/zinc/53/10/74/521531074.db2.gz HOALQXHZEIZWIW-UHFFFAOYSA-N 0 0 294.342 3.685 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000335127710 533884257 /nfs/dbraw/zinc/88/42/57/533884257.db2.gz APJYZCVXXAOCNZ-QMTHXVAHSA-N 0 0 263.768 3.618 10 0 CHAERN CCOc1c(Cl)cc(C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000017054444 517723293 /nfs/dbraw/zinc/72/32/93/517723293.db2.gz AUWFMETURNPXLB-JTQLQIEISA-N 0 0 299.798 3.522 10 0 CHAERN CC(C)(C)c1nc2cc(N)ccc2n1[C@H]1CC1(C)C ZINC000052854025 519105333 /nfs/dbraw/zinc/10/53/33/519105333.db2.gz OACMJWDFGTYARC-ZDUSSCGKSA-N 0 0 257.381 3.887 10 0 CHAERN CC(=O)CCN1Cc2ccccc2-c2ccccc2C1 ZINC000101919831 519418213 /nfs/dbraw/zinc/41/82/13/519418213.db2.gz KXVIZBCICLBROB-UHFFFAOYSA-N 0 0 265.356 3.648 10 0 CHAERN CC(C)Nc1ccccc1C(=O)N(C)[C@H](C)C(C)C ZINC000062819529 519741920 /nfs/dbraw/zinc/74/19/20/519741920.db2.gz FANMJKKJLVHHCA-CYBMUJFWSA-N 0 0 262.397 3.623 10 0 CHAERN CC(C)OCCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125046769 519756534 /nfs/dbraw/zinc/75/65/34/519756534.db2.gz YVHRVINPIJALMW-BBRMVZONSA-N 0 0 275.392 3.556 10 0 CHAERN CC(C)[C@H](C)N(C)c1nnc(Cl)c2ccccc21 ZINC000050529483 519811910 /nfs/dbraw/zinc/81/19/10/519811910.db2.gz VIBAUPWGOSIKKD-JTQLQIEISA-N 0 0 263.772 3.764 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCc2cccnc2)cc1 ZINC000053248521 519839228 /nfs/dbraw/zinc/83/92/28/519839228.db2.gz SXWLACHKPKOICH-CQSZACIVSA-N 0 0 297.402 3.765 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccncc2)cc1 ZINC000126833162 519839583 /nfs/dbraw/zinc/83/95/83/519839583.db2.gz JGBGOCDHYHVHRO-ROUUACIJSA-N 0 0 294.398 3.625 10 0 CHAERN CCC1CCC(NC(=O)CCCCSC)CC1 ZINC000133188622 519854328 /nfs/dbraw/zinc/85/43/28/519854328.db2.gz MRCZYBHUQINLID-UHFFFAOYSA-N 0 0 257.443 3.605 10 0 CHAERN CC(C)c1nn(C)cc1N[C@H]1CCCc2occc21 ZINC000280895568 519883847 /nfs/dbraw/zinc/88/38/47/519883847.db2.gz PJORULTYSMEESX-LBPRGKRZSA-N 0 0 259.353 3.626 10 0 CHAERN CCCC1CCN(c2ccc(N)cc2Cl)CC1 ZINC000050893689 519904143 /nfs/dbraw/zinc/90/41/43/519904143.db2.gz VNYWFHYFMDQXPI-UHFFFAOYSA-N 0 0 252.789 3.939 10 0 CHAERN CC[N@H+](C(C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000062751307 520138616 /nfs/dbraw/zinc/13/86/16/520138616.db2.gz BWGBTIVMWGWJBS-HZSPNIEDSA-N 0 0 269.429 3.632 10 0 CHAERN CCCNc1ccccc1C(=O)N(CC)[C@H](C)CC ZINC000050748008 520175051 /nfs/dbraw/zinc/17/50/51/520175051.db2.gz IWBBSHVUFMZOGL-CYBMUJFWSA-N 0 0 262.397 3.769 10 0 CHAERN CCCNc1ccccc1C(=O)N1CCCC1(C)C ZINC000063074237 520175682 /nfs/dbraw/zinc/17/56/82/520175682.db2.gz YXZFDWWFANRNDM-UHFFFAOYSA-N 0 0 260.381 3.523 10 0 CHAERN CCCNc1ncccc1CO[C@@H](C)CC(C)C ZINC000052754940 520197233 /nfs/dbraw/zinc/19/72/33/520197233.db2.gz DJJLMWDPEWEGIK-ZDUSSCGKSA-N 0 0 250.386 3.855 10 0 CHAERN CCCCCNC(=O)c1cc(C)ccc1NCCC ZINC000052999634 520222709 /nfs/dbraw/zinc/22/27/09/520222709.db2.gz LZAVBWWPUYNCCH-UHFFFAOYSA-N 0 0 262.397 3.737 10 0 CHAERN CCNc1cc(C)nc2c(OC(F)F)cccc12 ZINC000050870822 520269790 /nfs/dbraw/zinc/26/97/90/520269790.db2.gz LZDFTNLCRHQQBM-UHFFFAOYSA-N 0 0 252.264 3.576 10 0 CHAERN CCNc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000049137243 520339657 /nfs/dbraw/zinc/33/96/57/520339657.db2.gz IDKPMNFBJVZUCE-UHFFFAOYSA-N 0 0 258.296 3.510 10 0 CHAERN CC1(C)CCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788578 520383328 /nfs/dbraw/zinc/38/33/28/520383328.db2.gz WWHCAOYWJIDHRG-UHFFFAOYSA-N 0 0 282.840 3.601 10 0 CHAERN CCCOc1ccc([C@@H](CC)C(=O)OCC)cc1 ZINC000055262123 520416923 /nfs/dbraw/zinc/41/69/23/520416923.db2.gz HHYPEXRTKHFZDT-CQSZACIVSA-N 0 0 250.338 3.532 10 0 CHAERN CCCOc1nc(Cl)nc(Sc2ccc(F)cc2)n1 ZINC000061543681 520495718 /nfs/dbraw/zinc/49/57/18/520495718.db2.gz PKHQFJWGEMLAOT-UHFFFAOYSA-N 0 0 299.758 3.604 10 0 CHAERN CCCCN(c1nc(C)c(C=O)s1)[C@@H](C)CC ZINC000054966972 520552918 /nfs/dbraw/zinc/55/29/18/520552918.db2.gz ABTXNNDPHJIOGW-JTQLQIEISA-N 0 0 254.399 3.669 10 0 CHAERN CC1(C)Cc2cc(-c3ccc(N)c(F)c3)ccc2O1 ZINC000051755530 520579354 /nfs/dbraw/zinc/57/93/54/520579354.db2.gz UNHRLVCGDQSBIY-UHFFFAOYSA-N 0 0 257.308 3.788 10 0 CHAERN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](CCC)C(C)C)C1 ZINC000062751511 521213087 /nfs/dbraw/zinc/21/30/87/521213087.db2.gz BIJQQAKDNCCHNQ-SOUVJXGZSA-N 0 0 269.429 3.776 10 0 CHAERN CCOc1cccc(Oc2ccc(C=O)cc2C)c1 ZINC000051846719 521403670 /nfs/dbraw/zinc/40/36/70/521403670.db2.gz GLBJHPKEAABLME-UHFFFAOYSA-N 0 0 256.301 3.999 10 0 CHAERN CCCc1ccc(OCc2nc(N)ccc2Cl)cc1 ZINC000061640563 521403956 /nfs/dbraw/zinc/40/39/56/521403956.db2.gz VGDHDQQLENZTFO-UHFFFAOYSA-N 0 0 276.767 3.849 10 0 CHAERN CCCc1nc(N(C)c2ccccc2C)sc1C=O ZINC000054967678 521529736 /nfs/dbraw/zinc/52/97/36/521529736.db2.gz VRALTOFPVOWMJO-UHFFFAOYSA-N 0 0 274.389 3.984 10 0 CHAERN CCCc1nsc(N[C@@H](C)c2ccc(C)o2)n1 ZINC000087640949 521598904 /nfs/dbraw/zinc/59/89/04/521598904.db2.gz ZMYVVIHUIAMDMG-VIFPVBQESA-N 0 0 251.355 3.565 10 0 CHAERN CCC(CC)n1ccc(CN[C@H](C)c2ccc(C)o2)n1 ZINC000069992992 521639986 /nfs/dbraw/zinc/63/99/86/521639986.db2.gz LLXHHHJGVHCXAG-CYBMUJFWSA-N 0 0 275.396 3.996 10 0 CHAERN CCC1(CC)CSC(Nc2cnn(C(C)C)c2)=N1 ZINC000061683889 521691598 /nfs/dbraw/zinc/69/15/98/521691598.db2.gz QXSJMQWCGHQREN-UHFFFAOYSA-N 0 0 266.414 3.538 10 0 CHAERN CCc1ccccc1[C@H](CO)Nc1cccc(C)c1 ZINC000052204979 521953717 /nfs/dbraw/zinc/95/37/17/521953717.db2.gz DUAAXMGVTHOKCY-KRWDZBQOSA-N 0 0 255.361 3.703 10 0 CHAERN COCCn1cc(N[C@H](C)c2cc(C)c(C)cc2C)cn1 ZINC000037090275 522109916 /nfs/dbraw/zinc/10/99/16/522109916.db2.gz PNUZZAGHDBWFQV-OAHLLOKOSA-N 0 0 287.407 3.628 10 0 CHAERN CN(C)c1ccc2nc(C(F)F)cc(Cl)c2c1 ZINC000061629927 522255719 /nfs/dbraw/zinc/25/57/19/522255719.db2.gz CPLKEHZOBSEQGK-UHFFFAOYSA-N 0 0 256.683 3.892 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ncc(C(F)(F)F)s2)o1 ZINC000330260766 534623769 /nfs/dbraw/zinc/62/37/69/534623769.db2.gz SWNSSEDRTHZMNU-ZCFIWIBFSA-N 0 0 277.271 3.631 10 0 CHAERN CN[C@H](c1ccccc1F)c1ccccc1Br ZINC000052898279 522486095 /nfs/dbraw/zinc/48/60/95/522486095.db2.gz HVQLFAFFUZIIJZ-AWEZNQCLSA-N 0 0 294.167 3.897 10 0 CHAERN CC[C@H](NC(=O)c1ccc(Cl)nc1Cl)C(C)C ZINC000064935622 522535169 /nfs/dbraw/zinc/53/51/69/522535169.db2.gz QKRYTIZRQXHLGR-VIFPVBQESA-N 0 0 275.179 3.553 10 0 CHAERN CNc1cc(C(C)(C)C)nc(-c2sccc2C)n1 ZINC000050864990 522562091 /nfs/dbraw/zinc/56/20/91/522562091.db2.gz QRZHLIBTHGTGPI-UHFFFAOYSA-N 0 0 261.394 3.853 10 0 CHAERN CNc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000050728115 522599324 /nfs/dbraw/zinc/59/93/24/522599324.db2.gz VGZDFXDBAWLAJA-UHFFFAOYSA-N 0 0 260.724 3.634 10 0 CHAERN CNc1ccc(Cl)c(CN(C)c2cccc(C)c2)n1 ZINC000061638357 522623185 /nfs/dbraw/zinc/62/31/85/522623185.db2.gz BROBJADXCNOCHA-UHFFFAOYSA-N 0 0 275.783 3.722 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1 ZINC000050728179 522627623 /nfs/dbraw/zinc/62/76/23/522627623.db2.gz REEMJJLEORMRJP-UHFFFAOYSA-N 0 0 278.714 3.773 10 0 CHAERN CNc1nc(-c2ccc(F)cc2)nc(C)c1C(C)C ZINC000061687397 522674404 /nfs/dbraw/zinc/67/44/04/522674404.db2.gz XAYVHWPVUOBBOY-UHFFFAOYSA-N 0 0 259.328 3.756 10 0 CHAERN CC[C@@H](Nc1cncc(Cl)n1)c1cccs1 ZINC000043538160 522964218 /nfs/dbraw/zinc/96/42/18/522964218.db2.gz IIRZQODJCDDEHB-MRVPVSSYSA-N 0 0 253.758 3.755 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(C)c(N)c1 ZINC000048633956 523047851 /nfs/dbraw/zinc/04/78/51/523047851.db2.gz HIGYDQYCPROFFW-WFASDCNBSA-N 0 0 261.365 3.703 10 0 CHAERN CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2NC)C1 ZINC000050755733 523082559 /nfs/dbraw/zinc/08/25/59/523082559.db2.gz CTSRCNLHSIIJTH-NSHDSACASA-N 0 0 280.799 3.644 10 0 CHAERN COc1ccc(Br)cc1C[C@H]1CCCCC1=O ZINC000049596762 523501696 /nfs/dbraw/zinc/50/16/96/523501696.db2.gz BNRFFMDFGUZXMO-SNVBAGLBSA-N 0 0 297.192 3.760 10 0 CHAERN COc1ccc(Br)cc1C[C@@H](C(C)=O)C(C)C ZINC000061688046 523503018 /nfs/dbraw/zinc/50/30/18/523503018.db2.gz FDXXJHJEJFYTQV-CYBMUJFWSA-N 0 0 299.208 3.861 10 0 CHAERN COC(=O)[C@@H](CC(C)(C)C)Nc1ccc(Cl)cc1 ZINC000061840395 523561014 /nfs/dbraw/zinc/56/10/14/523561014.db2.gz IBJRBJYAMDHIMB-GFCCVEGCSA-N 0 0 269.772 3.730 10 0 CHAERN CN(c1cccc(F)c1)c1ccc(C(N)=S)c(Cl)c1 ZINC000061850121 523646323 /nfs/dbraw/zinc/64/63/23/523646323.db2.gz BTJUBGUNFRVBPA-UHFFFAOYSA-N 0 0 294.782 3.881 10 0 CHAERN CN(c1nc(C(C)(C)C)c(CO)s1)c1ccccc1 ZINC000055002767 523661153 /nfs/dbraw/zinc/66/11/53/523661153.db2.gz HQYSNIDTGIUWLB-UHFFFAOYSA-N 0 0 276.405 3.701 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334632435 534733138 /nfs/dbraw/zinc/73/31/38/534733138.db2.gz OUIJGRXHWNINSM-CMPLNLGQSA-N 0 0 264.756 3.665 10 0 CHAERN COc1ccc(C(=O)c2cc(C)ccc2F)cc1F ZINC000052981516 523779818 /nfs/dbraw/zinc/77/98/18/523779818.db2.gz RTINOCVOIFGZJC-UHFFFAOYSA-N 0 0 262.255 3.513 10 0 CHAERN COc1ccc(C)cc1[C@@H](O)c1cc(F)ccc1C ZINC000055263204 523855166 /nfs/dbraw/zinc/85/51/66/523855166.db2.gz OXBOCBMOSCOJMY-INIZCTEOSA-N 0 0 260.308 3.533 10 0 CHAERN COc1ccc(C)cc1[C@H](O)Cc1cccc(Cl)c1 ZINC000052945487 523860264 /nfs/dbraw/zinc/86/02/64/523860264.db2.gz ORGLRCQEYBCCHW-OAHLLOKOSA-N 0 0 276.763 3.933 10 0 CHAERN CCc1ccc(-c2nc3sccc3c(N)n2)cc1 ZINC000050841190 523861632 /nfs/dbraw/zinc/86/16/32/523861632.db2.gz WANSVUMEJKYZEN-UHFFFAOYSA-N 0 0 255.346 3.503 10 0 CHAERN CN(C(=O)N[C@H]1CCc2ccccc21)C1CCCCC1 ZINC000054009103 523882345 /nfs/dbraw/zinc/88/23/45/523882345.db2.gz PAUIVSUBIRTQAD-INIZCTEOSA-N 0 0 272.392 3.648 10 0 CHAERN CCc1ccc(C[C@H](O)Cc2ccc(F)cc2)s1 ZINC000053783584 523951207 /nfs/dbraw/zinc/95/12/07/523951207.db2.gz RJBMDMGSXFWHEV-CYBMUJFWSA-N 0 0 264.365 3.596 10 0 CHAERN CCc1ccc(N(C)c2cc(C)nc(Cl)n2)cc1 ZINC000052814979 523958873 /nfs/dbraw/zinc/95/88/73/523958873.db2.gz QFKUWFKRDBPDSV-UHFFFAOYSA-N 0 0 261.756 3.769 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ncoc2C)o1 ZINC000128380145 524053949 /nfs/dbraw/zinc/05/39/49/524053949.db2.gz UBTUGEMGQBNJKN-CYBMUJFWSA-N 0 0 288.347 3.506 10 0 CHAERN CCc1ccc2c(c1)NC[C@@H](c1ccc(F)cc1)O2 ZINC000062537992 524058962 /nfs/dbraw/zinc/05/89/62/524058962.db2.gz KRKVPRKLHRKOPN-INIZCTEOSA-N 0 0 257.308 3.934 10 0 CHAERN COc1ccc(Cl)cc1[C@H](O)Cc1ccc(C)cc1 ZINC000055204004 524253869 /nfs/dbraw/zinc/25/38/69/524253869.db2.gz ZOZJJMOQJNUWFS-OAHLLOKOSA-N 0 0 276.763 3.933 10 0 CHAERN Cc1cccc(C2CC(N[C@@H](C)C(F)(F)F)C2)c1 ZINC000376723464 524336559 /nfs/dbraw/zinc/33/65/59/524336559.db2.gz NVMWHYBYGSKWGX-PKSQDBQZSA-N 0 0 257.299 3.781 10 0 CHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000156201509 524344957 /nfs/dbraw/zinc/34/49/57/524344957.db2.gz IXTDKOMENVRFJV-HZSPNIEDSA-N 0 0 261.365 3.769 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)O1 ZINC000156381631 524379604 /nfs/dbraw/zinc/37/96/04/524379604.db2.gz FWGQPQPZFIQRHZ-XJKSGUPXSA-N 0 0 291.391 3.508 10 0 CHAERN C[C@@H]1CCC[C@H](OCCNc2ccccc2F)C1 ZINC000053569087 524411876 /nfs/dbraw/zinc/41/18/76/524411876.db2.gz BGEFDAOSIKPIHW-OLZOCXBDSA-N 0 0 251.345 3.833 10 0 CHAERN C[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCS1 ZINC000126494961 524536542 /nfs/dbraw/zinc/53/65/42/524536542.db2.gz GNPBDOMPXKLUGN-LBPRGKRZSA-N 0 0 287.384 3.524 10 0 CHAERN C[C@@H](CCc1ccco1)n1c(=S)[nH]nc1C1CC1 ZINC000049569282 524546978 /nfs/dbraw/zinc/54/69/78/524546978.db2.gz SVLPOLIHPASKIW-VIFPVBQESA-N 0 0 263.366 3.605 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N(c2ccccc2)C2CCCC2)O1 ZINC000155691895 524628322 /nfs/dbraw/zinc/62/83/22/524628322.db2.gz HKANIECTKCFGTR-CZUORRHYSA-N 0 0 273.376 3.530 10 0 CHAERN COc1ccccc1Nc1cc(Cl)ccc1C(N)=S ZINC000062787901 524648428 /nfs/dbraw/zinc/64/84/28/524648428.db2.gz ORYGMLYQRQFSLV-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000253545954 524651925 /nfs/dbraw/zinc/65/19/25/524651925.db2.gz LTAAQMDLDBQFKB-UVLXDEKHSA-N 0 0 293.357 3.715 10 0 CHAERN Cc1ccc(C[C@H](O)C(C)(C)c2ccccc2)cc1 ZINC000062772974 524684933 /nfs/dbraw/zinc/68/49/33/524684933.db2.gz MKYIYWDJMDWRCT-KRWDZBQOSA-N 0 0 254.373 3.876 10 0 CHAERN C[C@H](Cc1cccs1)N(C)c1ccnc(Cl)c1 ZINC000227062779 524749802 /nfs/dbraw/zinc/74/98/02/524749802.db2.gz FUJIWSJJRUBHNS-SNVBAGLBSA-N 0 0 266.797 3.864 10 0 CHAERN Cc1ccc(F)c(C(=O)c2ccc3c(c2)CCC3)c1 ZINC000052981383 524802555 /nfs/dbraw/zinc/80/25/55/524802555.db2.gz QSVIKXGCUOUUED-UHFFFAOYSA-N 0 0 254.304 3.854 10 0 CHAERN Cc1ccc(N)c(C(=O)Nc2cccc(Cl)c2F)c1 ZINC000053000758 524903670 /nfs/dbraw/zinc/90/36/70/524903670.db2.gz YICCZXZKBMBZTH-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN C[C@H](NC(=O)CCCCCc1cccs1)[C@H]1CCCO1 ZINC000067135988 524931126 /nfs/dbraw/zinc/93/11/26/524931126.db2.gz AYDKARGGXJQVKK-DZGCQCFKSA-N 0 0 295.448 3.535 10 0 CHAERN C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000087176445 524984188 /nfs/dbraw/zinc/98/41/88/524984188.db2.gz CLWHPIALZQJRHV-CMPLNLGQSA-N 0 0 299.773 3.616 10 0 CHAERN Cc1cc(N)c(NC(=O)Cc2ccc(Cl)cc2)cc1C ZINC000050439139 525033852 /nfs/dbraw/zinc/03/38/52/525033852.db2.gz BMUZOZBUHTVXMC-UHFFFAOYSA-N 0 0 288.778 3.720 10 0 CHAERN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000083211019 525095695 /nfs/dbraw/zinc/09/56/95/525095695.db2.gz LMOVAKRHUNXFLD-GDZNZVCISA-N 0 0 295.386 3.517 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccoc1Cl ZINC000192394002 534835588 /nfs/dbraw/zinc/83/55/88/534835588.db2.gz QNKWDJDBTDIHIB-JTQLQIEISA-N 0 0 263.724 3.732 10 0 CHAERN COc1ccc([C@@H](O)c2cc(C)ccc2F)c(C)c1 ZINC000052998880 525211975 /nfs/dbraw/zinc/21/19/75/525211975.db2.gz IVMBIYARXJZCAB-MRXNPFEDSA-N 0 0 260.308 3.533 10 0 CHAERN COc1ccc2c(c1)CCC[C@H]2Nc1cccc(CO)c1 ZINC000037048516 525524512 /nfs/dbraw/zinc/52/45/12/525524512.db2.gz VVIUZAXKNPIEKD-GOSISDBHSA-N 0 0 283.371 3.677 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)c1cc[nH]n1 ZINC000049515655 525604140 /nfs/dbraw/zinc/60/41/40/525604140.db2.gz LPBQCMYHEVEYIQ-VHSXEESVSA-N 0 0 294.196 3.584 10 0 CHAERN CSC[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000066766200 525611687 /nfs/dbraw/zinc/61/16/87/525611687.db2.gz CSTPVXKKVWQRCV-RKDXNWHRSA-N 0 0 289.803 3.655 10 0 CHAERN C[C@H](Nc1ccc(N)nc1)c1cccc(Br)c1 ZINC000049564050 525655480 /nfs/dbraw/zinc/65/54/80/525655480.db2.gz NLIORZSZJJSSOC-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000156597703 525670238 /nfs/dbraw/zinc/67/02/38/525670238.db2.gz WUMCPUAGAYJSLO-DNVCBOLYSA-N 0 0 289.382 3.917 10 0 CHAERN Cc1c(C)c(C)c([C@@H](O)C2CCOCC2)c(C)c1C ZINC000061673183 525674493 /nfs/dbraw/zinc/67/44/93/525674493.db2.gz GQNKQLCIQGYDSB-KRWDZBQOSA-N 0 0 262.393 3.689 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2C)o1 ZINC000057464784 525715757 /nfs/dbraw/zinc/71/57/57/525715757.db2.gz VPWSZDVGZMUESH-CYBMUJFWSA-N 0 0 257.333 3.696 10 0 CHAERN C[C@@H](Nc1cccc(Cl)c1C(N)=S)c1ccncc1 ZINC000052904805 525717220 /nfs/dbraw/zinc/71/72/20/525717220.db2.gz JDFNKSPYQJBHMW-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C2CCCC2)o1 ZINC000127692943 525798148 /nfs/dbraw/zinc/79/81/48/525798148.db2.gz ORDMFICQHJJAEF-AWEZNQCLSA-N 0 0 261.365 3.832 10 0 CHAERN Cc1c(NC(=O)[C@H]2CCCO[C@H]2C)sc2c1CCCC2 ZINC000188063892 525856898 /nfs/dbraw/zinc/85/68/98/525856898.db2.gz XEYRJQGLBSQKKM-AAEUAGOBSA-N 0 0 293.432 3.689 10 0 CHAERN C[C@H](O)c1ccc(Oc2cc(F)cc(F)c2)c(F)c1 ZINC000054933283 525859052 /nfs/dbraw/zinc/85/90/52/525859052.db2.gz PRTZVFMLTROYMO-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCc3ccccc32)o1 ZINC000111804136 525900450 /nfs/dbraw/zinc/90/04/50/525900450.db2.gz OHDYGQSPRNFVNP-ZFWWWQNUSA-N 0 0 298.386 3.678 10 0 CHAERN CS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000125805605 525900383 /nfs/dbraw/zinc/90/03/83/525900383.db2.gz PHRBPFFHUHCCOX-STQMWFEESA-N 0 0 296.436 3.576 10 0 CHAERN Cc1ccc([C@H](C)Nc2ncc(Br)cc2N)o1 ZINC000049194217 525950315 /nfs/dbraw/zinc/95/03/15/525950315.db2.gz HTZOSHULIKCOGO-QMMMGPOBSA-N 0 0 296.168 3.501 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)NC(C)(C)C)o1 ZINC000157329214 525992049 /nfs/dbraw/zinc/99/20/49/525992049.db2.gz YZNMARCTPBKGNI-GFCCVEGCSA-N 0 0 264.369 3.623 10 0 CHAERN Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)CC(C)C ZINC000036998221 526056398 /nfs/dbraw/zinc/05/63/98/526056398.db2.gz CCUPPAVPZGDPNR-ZDUSSCGKSA-N 0 0 262.397 3.543 10 0 CHAERN Cc1ccc2[nH]c(Sc3ccc(N)cc3C)nc2c1 ZINC000061439790 526101472 /nfs/dbraw/zinc/10/14/72/526101472.db2.gz LJYVTWLRLIMOHI-UHFFFAOYSA-N 0 0 269.373 3.913 10 0 CHAERN Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)o1 ZINC000066513075 526138978 /nfs/dbraw/zinc/13/89/78/526138978.db2.gz WOLCFNOCWHBHHM-INIZCTEOSA-N 0 0 299.370 3.580 10 0 CHAERN C[C@@H]1CC(=O)Oc2cc(Oc3ccnc(C4CC4)n3)ccc21 ZINC000277894972 526219018 /nfs/dbraw/zinc/21/90/18/526219018.db2.gz NPGYEUJSEDGFIR-SNVBAGLBSA-N 0 0 296.326 3.559 10 0 CHAERN Cc1ccc2[nH]c(Sc3cc(Cl)nc(C)n3)nc2c1 ZINC000061440441 526256269 /nfs/dbraw/zinc/25/62/69/526256269.db2.gz IPGDWCCQDIFVPC-UHFFFAOYSA-N 0 0 290.779 3.774 10 0 CHAERN Fc1ccc(C(F)(F)F)cc1NCc1cncs1 ZINC000062655807 526326714 /nfs/dbraw/zinc/32/67/14/526326714.db2.gz NUGGCEKUZQZUEG-UHFFFAOYSA-N 0 0 276.258 3.913 10 0 CHAERN Cc1csc(CNc2nc3cc(F)ccc3s2)n1 ZINC000049534239 526362996 /nfs/dbraw/zinc/36/29/96/526362996.db2.gz JVWRBTOXWIBOLQ-UHFFFAOYSA-N 0 0 279.365 3.812 10 0 CHAERN Fc1ccccc1Cc1nc(Cl)cc(Cl)n1 ZINC000058049126 526412944 /nfs/dbraw/zinc/41/29/44/526412944.db2.gz GCFJXKGNLYIEHU-UHFFFAOYSA-N 0 0 257.095 3.513 10 0 CHAERN O=C(CCCC1CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119881366 526416599 /nfs/dbraw/zinc/41/65/99/526416599.db2.gz UOPDOHMCQBOWBD-AEFFLSMTSA-N 0 0 293.451 3.501 10 0 CHAERN O=C(CCc1ccccc1)C1(c2ccccc2)CC1 ZINC000062780502 526606409 /nfs/dbraw/zinc/60/64/09/526606409.db2.gz YCOWOUUGEZSTEN-UHFFFAOYSA-N 0 0 250.341 3.920 10 0 CHAERN O=C(c1cc(F)ccc1F)C1(c2ccccc2)CC1 ZINC000061617641 526621055 /nfs/dbraw/zinc/62/10/55/526621055.db2.gz XEYHDAJYVSDYBR-UHFFFAOYSA-N 0 0 258.267 3.879 10 0 CHAERN O=C(c1ccc2c(c1)COC2)c1ccc(Cl)cc1F ZINC000062331584 526723127 /nfs/dbraw/zinc/72/31/27/526723127.db2.gz VGYLUELJKGLJPE-UHFFFAOYSA-N 0 0 276.694 3.740 10 0 CHAERN O=C(c1cccc(Cl)n1)N(Cc1ccsc1)C1CC1 ZINC000051074006 526762079 /nfs/dbraw/zinc/76/20/79/526762079.db2.gz FOORPYZDHXVFPQ-UHFFFAOYSA-N 0 0 292.791 3.601 10 0 CHAERN O=C(c1ccsc1)N1CC=C(c2cccs2)CC1 ZINC000117723774 526861112 /nfs/dbraw/zinc/86/11/12/526861112.db2.gz OFSPGKJNNAYURW-UHFFFAOYSA-N 0 0 275.398 3.739 10 0 CHAERN Cc1nc(N(C)Cc2ccc(Cl)s2)sc1C=O ZINC000054966873 526950173 /nfs/dbraw/zinc/95/01/73/526950173.db2.gz SYBWSLCDJPRQOK-UHFFFAOYSA-N 0 0 286.809 3.615 10 0 CHAERN Cc1nc(N2CCC(C(C)(C)C)CC2)sc1[C@@H](C)O ZINC000054911495 526962417 /nfs/dbraw/zinc/96/24/17/526962417.db2.gz UXGDNCOQSGCQOM-LLVKDONJSA-N 0 0 282.453 3.767 10 0 CHAERN Clc1ncccc1COC/C=C/c1ccccc1 ZINC000052725661 527010621 /nfs/dbraw/zinc/01/06/21/527010621.db2.gz KWZVPBZWWYGTCQ-VMPITWQZSA-N 0 0 259.736 3.965 10 0 CHAERN Cc1nc([C@@H](C)N[C@@H]2CCOc3ccccc32)cs1 ZINC000037074418 527034462 /nfs/dbraw/zinc/03/44/62/527034462.db2.gz RPOZHSBEWUGQRX-ZWNOBZJWSA-N 0 0 274.389 3.626 10 0 CHAERN Cc1nc([C@H](C)N[C@H]2CCc3ccccc32)cs1 ZINC000036915314 527067156 /nfs/dbraw/zinc/06/71/56/527067156.db2.gz KMFPOOLBLYKESX-HZMBPMFUSA-N 0 0 258.390 3.790 10 0 CHAERN Nc1cc(Cl)ccc1-c1nnc(-c2ccccc2)o1 ZINC000050308725 527450648 /nfs/dbraw/zinc/45/06/48/527450648.db2.gz ROWZNZPJZYFQIM-UHFFFAOYSA-N 0 0 271.707 3.639 10 0 CHAERN Nc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1 ZINC000061639788 527485715 /nfs/dbraw/zinc/48/57/15/527485715.db2.gz UBNWKEVOUQTTQF-UHFFFAOYSA-N 0 0 287.121 3.689 10 0 CHAERN Nc1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000052925689 527517709 /nfs/dbraw/zinc/51/77/09/527517709.db2.gz SXDBDLPNVOTHCJ-UHFFFAOYSA-N 0 0 295.169 3.506 10 0 CHAERN Nc1onc([C@H]2C[C@H]3CC[C@@H]2C3)c1-c1cccs1 ZINC000052902255 527581434 /nfs/dbraw/zinc/58/14/34/527581434.db2.gz XNMDSXGMCGTXKL-AEJSXWLSSA-N 0 0 260.362 3.889 10 0 CHAERN Nc1onc(-c2cn[nH]c2)c1-c1ccc(Cl)cc1Cl ZINC000062777873 527582026 /nfs/dbraw/zinc/58/20/26/527582026.db2.gz ICIUFKLJSWZFAO-UHFFFAOYSA-N 0 0 295.129 3.621 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000052900143 527664965 /nfs/dbraw/zinc/66/49/65/527664965.db2.gz SOEOHFNLWRREEZ-GFCCVEGCSA-N 0 0 252.766 3.548 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1ccccc1Br ZINC000052900159 527665229 /nfs/dbraw/zinc/66/52/29/527665229.db2.gz GXHYCRFBKPIRKL-LLVKDONJSA-N 0 0 297.217 3.657 10 0 CHAERN FC(F)(F)c1cccc(Cl)c1NCc1cncnc1 ZINC000054767197 527685528 /nfs/dbraw/zinc/68/55/28/527685528.db2.gz FQKLKCNZPOEFIH-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN FC(F)(F)c1cccnc1NCC1(C2CC2)CC1 ZINC000228665843 527687658 /nfs/dbraw/zinc/68/76/58/527687658.db2.gz FGHNEGPOJOFIOZ-UHFFFAOYSA-N 0 0 256.271 3.703 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c(Cl)c1 ZINC000087406391 527700311 /nfs/dbraw/zinc/70/03/11/527700311.db2.gz NPPHNKAJPCEXHC-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN CCOC(=O)c1cc2ncccc2n1Cc1cccc(C)c1 ZINC000150247032 528195664 /nfs/dbraw/zinc/19/56/64/528195664.db2.gz TUEJVDHPFAUXHX-UHFFFAOYSA-N 0 0 294.354 3.570 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2c2ccnc(Cl)c2)no1 ZINC000302735899 528310583 /nfs/dbraw/zinc/31/05/83/528310583.db2.gz OTNYCIFHCLOBQQ-NSHDSACASA-N 0 0 292.770 3.583 10 0 CHAERN CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000192195260 528527722 /nfs/dbraw/zinc/52/77/22/528527722.db2.gz FSVIHNWCJGIGHO-NWDGAFQWSA-N 0 0 281.346 3.621 10 0 CHAERN CCCCn1nc2c(c1N)C[C@@H](C(C)(C)CC)CC2 ZINC000725265416 567923164 /nfs/dbraw/zinc/92/31/64/567923164.db2.gz AOVSBJTXMSTUMP-LBPRGKRZSA-N 0 0 263.429 3.807 10 0 CHAERN Cc1nn(C(C)C)cc1NCc1ccc(F)c(F)c1 ZINC000725242827 570255256 /nfs/dbraw/zinc/25/52/56/570255256.db2.gz ZYHVFHJUEANNFU-UHFFFAOYSA-N 0 0 265.307 3.663 10 0 CHAERN Cc1ccc(-c2cn3cccc(Br)c3n2)o1 ZINC000228026509 570244764 /nfs/dbraw/zinc/24/47/64/570244764.db2.gz ICBXCCLVKXLOKG-UHFFFAOYSA-N 0 0 277.121 3.665 10 0 CHAERN Cc1c(Br)c(-c2ccccn2)nn1CC(C)C ZINC000409443609 570245387 /nfs/dbraw/zinc/24/53/87/570245387.db2.gz QJOWXSWEPISQRL-UHFFFAOYSA-N 0 0 294.196 3.672 10 0 CHAERN C[C@H]1CCC[C@](O)(c2cccc(Br)c2)C1 ZINC000675059280 570365478 /nfs/dbraw/zinc/36/54/78/570365478.db2.gz MNRIEKBOSLAIHL-GXFFZTMASA-N 0 0 269.182 3.847 10 0 CHAERN CC(C)c1nn2c(c1Br)NC[C@H]1CCC[C@@H]12 ZINC000232805936 570411098 /nfs/dbraw/zinc/41/10/98/570411098.db2.gz LUCSBDGVTFUGOK-BDAKNGLRSA-N 0 0 284.201 3.536 10 0 CHAERN CCc1cc(C)nc2cc(Br)c(OC)cc12 ZINC000669372543 566949309 /nfs/dbraw/zinc/94/93/09/566949309.db2.gz RPXSQZCNBZXGHP-UHFFFAOYSA-N 0 0 280.165 3.877 10 0 CHAERN C[C@H]1C(=O)CC[C@@H]1Sc1cccc(Br)c1 ZINC000083000642 566962756 /nfs/dbraw/zinc/96/27/56/566962756.db2.gz XZADRCVHKNRVCW-UFBFGSQYSA-N 0 0 285.206 3.909 10 0 CHAERN CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(O)CCC[C@]21C ZINC000014614502 566962776 /nfs/dbraw/zinc/96/27/76/566962776.db2.gz NYEXXEJYGVAGEE-BHIYHBOVSA-N 0 0 288.431 3.669 10 0 CHAERN CCc1nc2c(c(C)nn2-c2ccccc2)c(NC(C)C)n1 ZINC000035988477 566992245 /nfs/dbraw/zinc/99/22/45/566992245.db2.gz SVGCRJJGDBFZPU-UHFFFAOYSA-N 0 0 295.390 3.507 10 0 CHAERN Nc1c(F)ccc(-c2ccc(C(F)F)nc2)c1F ZINC000675056843 567021961 /nfs/dbraw/zinc/02/19/61/567021961.db2.gz QGFNVSNKHTWVHV-UHFFFAOYSA-N 0 0 256.202 3.547 10 0 CHAERN CC1(C)CC(c2ccccc2)=NN(c2ccccc2)C1=O ZINC000039931948 567088568 /nfs/dbraw/zinc/08/85/68/567088568.db2.gz VPFRDWQEUQWMTN-UHFFFAOYSA-N 0 0 278.355 3.854 10 0 CHAERN Cc1ccc(Sc2ccnc(NC3CC3)n2)cc1 ZINC000058825550 567217193 /nfs/dbraw/zinc/21/71/93/567217193.db2.gz AUMJWMGTNSEKJD-UHFFFAOYSA-N 0 0 257.362 3.511 10 0 CHAERN O[C@@H](CCSCc1ccco1)c1cccs1 ZINC000058826647 567217869 /nfs/dbraw/zinc/21/78/69/567217869.db2.gz OLWDQHGYKGVVEX-NSHDSACASA-N 0 0 254.376 3.698 10 0 CHAERN C[C@H](O)c1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000109577952 567220031 /nfs/dbraw/zinc/22/00/31/567220031.db2.gz SWGKNCIWWGXBOM-QWRGUYRKSA-N 0 0 253.773 3.630 10 0 CHAERN C1=C(c2ccccc2)N2C=C(c3ccccc3)NN=C2S1 ZINC000002271232 567845603 /nfs/dbraw/zinc/84/56/03/567845603.db2.gz NPCHDHIYXYWNIS-UHFFFAOYSA-N 0 0 291.379 3.907 10 0 CHAERN Clc1ccsc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712501046 567849896 /nfs/dbraw/zinc/84/98/96/567849896.db2.gz GKDOXSFNDFNYSJ-SECBINFHSA-N 0 0 255.795 3.698 10 0 CHAERN O=C(Oc1cc2ccccc2cc1O)c1ccccc1 ZINC000003171666 567852056 /nfs/dbraw/zinc/85/20/56/567852056.db2.gz QAGBYFXDIMJGPA-UHFFFAOYSA-N 0 0 264.280 3.765 10 0 CHAERN CC[C@H]1[C@H](O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013468201 567866219 /nfs/dbraw/zinc/86/62/19/567866219.db2.gz OKNRTYWYWMOJGO-INDMIFKZSA-N 0 0 281.399 3.849 10 0 CHAERN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H]1O[C@H]12 ZINC000013525313 567866254 /nfs/dbraw/zinc/86/62/54/567866254.db2.gz KLSAJLBMCCKBPW-IVBNJOGPSA-N 0 0 286.415 3.896 10 0 CHAERN [NH3+][C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019433749 567877741 /nfs/dbraw/zinc/87/77/41/567877741.db2.gz KKKNZIQXBOFPBU-ZDUSSCGKSA-N 0 0 269.241 3.893 10 0 CHAERN C[C@H](NCC(F)(F)F)c1ccccc1Br ZINC000019486529 567877786 /nfs/dbraw/zinc/87/77/86/567877786.db2.gz WLEPKLIVEDMNPF-ZETCQYMHSA-N 0 0 282.103 3.662 10 0 CHAERN Clc1ncncc1-c1ccc(Br)cc1 ZINC000163795609 567882561 /nfs/dbraw/zinc/88/25/61/567882561.db2.gz IQRZQJHWEOOZHZ-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN CC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036303650 567889418 /nfs/dbraw/zinc/88/94/18/567889418.db2.gz MPHQUZXOSKQCTN-UHFFFAOYSA-N 0 0 252.313 3.906 10 0 CHAERN OCc1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000040880155 567890753 /nfs/dbraw/zinc/89/07/53/567890753.db2.gz XNMXMPSWMNXULL-UHFFFAOYSA-N 0 0 270.115 3.673 10 0 CHAERN CC(C)(C)OC(=O)NCc1noc2ccc(Cl)cc12 ZINC000396180546 567899749 /nfs/dbraw/zinc/89/97/49/567899749.db2.gz FXILDSFWNDQPOM-UHFFFAOYSA-N 0 0 282.727 3.506 10 0 CHAERN CCc1cc2nc(C(CC)CC)nn2c(Cl)c1 ZINC000725245316 567908164 /nfs/dbraw/zinc/90/81/64/567908164.db2.gz BXXNFSRONUHVCK-UHFFFAOYSA-N 0 0 251.761 3.849 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1C[C@@H](C(C)(C)C)CC2 ZINC000725260937 567917248 /nfs/dbraw/zinc/91/72/48/567917248.db2.gz ZVORGDWZFJLMEZ-VIFPVBQESA-N 0 0 281.783 3.673 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)Cl)C1 ZINC000725261534 567917272 /nfs/dbraw/zinc/91/72/72/567917272.db2.gz YWEHPQBWDHYEIX-JTQLQIEISA-N 0 0 261.793 3.651 10 0 CHAERN C[C@]12C[C@H](c3ccccc3)[C@H]1C(=O)N(Cc1ccccc1)C2 ZINC000725262650 567923111 /nfs/dbraw/zinc/92/31/11/567923111.db2.gz NEFGMXAGRPULNG-WSTZPKSXSA-N 0 0 291.394 3.839 10 0 CHAERN Brc1ccc(-c2ccc([C@H]3CCO3)cc2)cn1 ZINC000725265152 567923149 /nfs/dbraw/zinc/92/31/49/567923149.db2.gz KGUIOZSMFQBTKH-CYBMUJFWSA-N 0 0 290.160 3.973 10 0 CHAERN CC(C)[C@@H]1CCc2[nH]nc(-c3ccc(C=O)s3)c2C1 ZINC000725265470 567923268 /nfs/dbraw/zinc/92/32/68/567923268.db2.gz FVFLOIWGTCCYNC-SNVBAGLBSA-N 0 0 274.389 3.712 10 0 CHAERN CC(C)C(C)(C)C1N=NC(=S)N1CC(C)(C)C ZINC000725265550 567923500 /nfs/dbraw/zinc/92/35/00/567923500.db2.gz VCMDCXBTMLKFPJ-UHFFFAOYSA-N 0 0 255.431 3.547 10 0 CHAERN CC(C)(C)CN1C(=S)N=NC1C1CCCCC1 ZINC000725265509 567923638 /nfs/dbraw/zinc/92/36/38/567923638.db2.gz AVRUTMMCNCRCKT-UHFFFAOYSA-N 0 0 253.415 3.661 10 0 CHAERN CCC[C@H]1CCc2[nH]nc(-c3ccc(F)nc3)c2C1 ZINC000725265747 567923666 /nfs/dbraw/zinc/92/36/66/567923666.db2.gz YIABOSWXJIKLAT-JTQLQIEISA-N 0 0 259.328 3.516 10 0 CHAERN CC(C)(C)c1ccc2c(c1)C[C@H](O)[C@@H](C(C)(C)C)N2 ZINC000725268440 567924112 /nfs/dbraw/zinc/92/41/12/567924112.db2.gz QVLYQFMVGKHRDU-GJZGRUSLSA-N 0 0 261.409 3.728 10 0 CHAERN CCn1cc(C(F)F)c(-c2cccc(F)c2F)n1 ZINC000725270779 567924706 /nfs/dbraw/zinc/92/47/06/567924706.db2.gz STMRFNTZJJFYHZ-UHFFFAOYSA-N 0 0 258.218 3.786 10 0 CHAERN CC(C)[NH+](C(C)C)[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000725271488 567925171 /nfs/dbraw/zinc/92/51/71/567925171.db2.gz NRYHJZQCGXZFTQ-UTUOFQBUSA-N 0 0 295.345 3.537 10 0 CHAERN C[C@@H]1CCc2nc(-c3ccc(Br)cc3)cn2C1 ZINC000258275162 567931010 /nfs/dbraw/zinc/93/10/10/567931010.db2.gz ILLCQYSKRRINRL-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN C[C@H]1CCc2nc(-c3ccc(Br)s3)cn2C1 ZINC000258140403 567931019 /nfs/dbraw/zinc/93/10/19/567931019.db2.gz DCSILTLXRMZPJQ-QMMMGPOBSA-N 0 0 297.221 3.956 10 0 CHAERN COc1cccc(-c2cnc(N(C)C)c(C(F)(F)F)c2)c1 ZINC000584881044 570229080 /nfs/dbraw/zinc/22/90/80/570229080.db2.gz LXOZCXRAXWKIRT-UHFFFAOYSA-N 0 0 296.292 3.842 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1cccc(Br)c1 ZINC000038352415 570248805 /nfs/dbraw/zinc/24/88/05/570248805.db2.gz ZYJOSBWOTQEVBZ-BQYQJAHWSA-N 0 0 283.165 3.804 10 0 CHAERN Cc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000083688778 570252736 /nfs/dbraw/zinc/25/27/36/570252736.db2.gz ANUVSUAAQDMRJQ-UHFFFAOYSA-N 0 0 275.145 3.989 10 0 CHAERN CCc1cc2nc(C(CC)CC)nn2c(Br)c1 ZINC000725248629 570255997 /nfs/dbraw/zinc/25/59/97/570255997.db2.gz YSXARQPQLPFZOR-UHFFFAOYSA-N 0 0 296.212 3.958 10 0 CHAERN COc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 ZINC000041465153 570350823 /nfs/dbraw/zinc/35/08/23/570350823.db2.gz LCYLVAOHYJKAIS-UHFFFAOYSA-N 0 0 288.656 3.824 10 0 CHAERN CC[C@@H](C)Sc1nc(Cl)c(F)c(Cl)n1 ZINC000616569298 570408743 /nfs/dbraw/zinc/40/87/43/570408743.db2.gz JCQRHHGDGNSHEA-SCSAIBSYSA-N 0 0 255.145 3.813 10 0 CHAERN Nc1n[nH]c(C2CCC2)c1-c1cccc(Br)c1 ZINC000036766094 570411308 /nfs/dbraw/zinc/41/13/08/570411308.db2.gz XXLXAWOAMMRBCP-UHFFFAOYSA-N 0 0 292.180 3.689 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406028105 570411742 /nfs/dbraw/zinc/41/17/42/570411742.db2.gz SGWOOIREPZIBLS-MJBXVCDLSA-N 0 0 291.391 3.553 10 0 CHAERN C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccccc1Cl ZINC000689153943 976234501 /nfs/dbraw/zinc/23/45/01/976234501.db2.gz IRKZCDZLPBWAKG-VIFPVBQESA-N 0 0 295.791 3.951 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000701831563 977047323 /nfs/dbraw/zinc/04/73/23/977047323.db2.gz QBWRFADDOIMCJR-WFASDCNBSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000701836044 977048665 /nfs/dbraw/zinc/04/86/65/977048665.db2.gz ZIYSCKXLNLJXDH-CQSZACIVSA-N 0 0 275.392 3.561 10 0 CHAERN CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000708555636 977435839 /nfs/dbraw/zinc/43/58/39/977435839.db2.gz NDJMIYLMIOOKSE-HUUCEWRRSA-N 0 0 275.392 3.570 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccsc2)cs1 ZINC000189116165 1126928081 /nfs/dbraw/zinc/92/80/81/1126928081.db2.gz OBRHTCKBWXJKKW-LBPRGKRZSA-N 0 0 293.417 3.882 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccccc2)cs1 ZINC000189761654 1126934765 /nfs/dbraw/zinc/93/47/65/1126934765.db2.gz QUSGMSDFMUJFMX-HNNXBMFYSA-N 0 0 258.390 3.789 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000366479435 1127747084 /nfs/dbraw/zinc/74/70/84/1127747084.db2.gz NNJWMTVUAHENOQ-IUODEOHRSA-N 0 0 261.340 3.539 10 0 CHAERN O=C(c1ccc(Br)o1)N1CCC12CCCCC2 ZINC000373011704 1127820219 /nfs/dbraw/zinc/82/02/19/1127820219.db2.gz WSMKISUDCYRHHT-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN Cc1ccsc1COC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588395081 1118524043 /nfs/dbraw/zinc/52/40/43/1118524043.db2.gz WGJHISWVDOESBK-IHWYPQMZSA-N 0 0 293.775 3.862 10 0 CHAERN O=C(NC/C=C\c1ccccc1)Nc1ccnc(Cl)c1 ZINC000588395685 1118527534 /nfs/dbraw/zinc/52/75/34/1118527534.db2.gz VYMPXHJDDUNHBN-DAXSKMNVSA-N 0 0 287.750 3.570 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(O)cc1F ZINC000588413493 1118597733 /nfs/dbraw/zinc/59/77/33/1118597733.db2.gz GYLKIPVHVTVVIY-NTMALXAHSA-N 0 0 289.281 3.712 10 0 CHAERN C[C@@H](CCn1cccn1)OC(=O)CC/C=C\c1ccccc1 ZINC000588448628 1118788495 /nfs/dbraw/zinc/78/84/95/1118788495.db2.gz VAZJXGMKSQQAIS-AVFOEOQDSA-N 0 0 298.386 3.699 10 0 CHAERN C[C@H](COC(=O)/C=C\c1cccnc1)Cc1ccc(F)cc1 ZINC000588492685 1118980385 /nfs/dbraw/zinc/98/03/85/1118980385.db2.gz FADOYKSSWQJELV-PIZKADEWSA-N 0 0 299.345 3.656 10 0 CHAERN O=C(C/C=C\c1ccc(F)cc1)Nc1ccc(F)nc1F ZINC000588577046 1119350580 /nfs/dbraw/zinc/35/05/80/1119350580.db2.gz ZQZVSVGUQUTWIU-UPHRSURJSA-N 0 0 292.260 3.541 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)c1O ZINC000178774251 1120236207 /nfs/dbraw/zinc/23/62/07/1120236207.db2.gz ODWDMNUQSJKVQQ-PIGZYNQJSA-N 0 0 297.354 3.512 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CCC[C@@H]1c1nccs1 ZINC000364227813 1120511429 /nfs/dbraw/zinc/51/14/29/1120511429.db2.gz QVALYKQJNUKVAX-CYBMUJFWSA-N 0 0 290.363 3.568 10 0 CHAERN Cc1nc([C@@H](C)NC(=O)NC2CCC(C)(C)CC2)cs1 ZINC000408252392 1120976060 /nfs/dbraw/zinc/97/60/60/1120976060.db2.gz PZKJUDYPXMGSTC-SNVBAGLBSA-N 0 0 295.452 3.781 10 0 CHAERN O=C(C[C@H]1C=CCC1)OCc1nc(Cl)ccc1Cl ZINC000102155640 1122886124 /nfs/dbraw/zinc/88/61/24/1122886124.db2.gz MIVMXCAECMYPSF-VIFPVBQESA-N 0 0 286.158 3.788 10 0 CHAERN Cc1ocnc1C(=O)O[C@@H](CCc1ccccc1)C(C)C ZINC000105770401 1123070172 /nfs/dbraw/zinc/07/01/72/1123070172.db2.gz XAIPLMLVNPDVDE-HNNXBMFYSA-N 0 0 287.359 3.797 10 0 CHAERN CC[C@@H](COC(=O)Cc1csc(C)n1)c1ccccc1 ZINC000105775295 1123070963 /nfs/dbraw/zinc/07/09/63/1123070963.db2.gz XONLNZNKLBQWLJ-ZDUSSCGKSA-N 0 0 289.400 3.731 10 0 CHAERN O=C(Nc1ccccc1O)c1cccn1C1CCCC1 ZINC000180841908 1123160370 /nfs/dbraw/zinc/16/03/70/1123160370.db2.gz CBODCZOLEKRGAB-UHFFFAOYSA-N 0 0 270.332 3.561 10 0 CHAERN C[C@@H]1C(=O)CC[C@@H](c2nc(CC3CCC3)no2)C1(C)C ZINC000329626468 1123633157 /nfs/dbraw/zinc/63/31/57/1123633157.db2.gz VLUDGTSMWIHVPD-PWSUYJOCSA-N 0 0 276.380 3.521 10 0 CHAERN C[C@@H]1C[C@H](C)[C@H](c2nc(CO[C@@H]3CCCC[C@H]3C)no2)O1 ZINC000329767163 1123653523 /nfs/dbraw/zinc/65/35/23/1123653523.db2.gz ZBWIBJXDUKQEAU-WPLOAARJSA-N 0 0 294.395 3.651 10 0 CHAERN CC(C)n1cc2cc(NC(=O)N3C[C@@H]4CCC[C@H]43)ccc2n1 ZINC000329915464 1123657750 /nfs/dbraw/zinc/65/77/50/1123657750.db2.gz DBVQBFAMUXJKEC-BLLLJJGKSA-N 0 0 298.390 3.633 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCCC[C@H]3C)c21 ZINC000103317306 1123785231 /nfs/dbraw/zinc/78/52/31/1123785231.db2.gz HIMBJILPKUUQRJ-CQSZACIVSA-N 0 0 299.418 3.603 10 0 CHAERN COC(=O)c1cnc(/C=C/c2ccc(F)c(C)c2)s1 ZINC000103717672 1123788653 /nfs/dbraw/zinc/78/86/53/1123788653.db2.gz FKFHZBTXKGRLPI-GQCTYLIASA-N 0 0 277.320 3.548 10 0 CHAERN Cc1ccccc1SCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000102874150 1125347706 /nfs/dbraw/zinc/34/77/06/1125347706.db2.gz JZUBSRSRJYBFRV-OAHLLOKOSA-N 0 0 289.444 3.878 10 0 CHAERN Cc1ccc(C(=O)CCC(=O)OCC(C)(C)C)s1 ZINC000103700496 1132270453 /nfs/dbraw/zinc/27/04/53/1132270453.db2.gz HLWGWZXUHMUAJN-UHFFFAOYSA-N 0 0 268.378 3.609 10 0 CHAERN Cc1ccc(/C=C\C(=O)n2c(C)nc3ccccc32)o1 ZINC000096507655 230385588 /nfs/dbraw/zinc/38/55/88/230385588.db2.gz VXFVPNPBTBCNIF-KTKRTIGZSA-N 0 0 266.300 3.600 10 0 CHAERN CC(C)(C)Oc1nccc(Br)c1OC1CC1 ZINC000095724909 185020848 /nfs/dbraw/zinc/02/08/48/185020848.db2.gz LZSSISFGMYRORP-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CSc1cc(Br)ccc1OC1CC1 ZINC000095732783 185022647 /nfs/dbraw/zinc/02/26/47/185022647.db2.gz MFMKMQJTWMGKIO-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN Clc1nc(NCc2ccccn2)cc(-c2ccccc2)n1 ZINC000082501803 178065874 /nfs/dbraw/zinc/06/58/74/178065874.db2.gz RKYPSUUOJBHMCJ-UHFFFAOYSA-N 0 0 296.761 3.804 10 0 CHAERN CCc1nc(Cl)cc(N[C@@H]2CCCC[C@H]2C)n1 ZINC000082509502 178075897 /nfs/dbraw/zinc/07/58/97/178075897.db2.gz QQZRTMQKLKHIRK-NXEZZACHSA-N 0 0 253.777 3.683 10 0 CHAERN Brc1ccc2cc(Br)cnc2c1 ZINC000095830394 185028881 /nfs/dbraw/zinc/02/88/81/185028881.db2.gz DTLWBNGKHNPBEX-UHFFFAOYSA-N 0 0 286.954 3.760 10 0 CHAERN Cc1cc2c(c(N)c1)N(C(=O)OC(C)(C)C)CC2(C)C ZINC000082586141 178121251 /nfs/dbraw/zinc/12/12/51/178121251.db2.gz PVWHJEXSHSFGIZ-UHFFFAOYSA-N 0 0 276.380 3.610 10 0 CHAERN O=C(Cc1ccnc2ccccc12)c1cc(Cl)ccn1 ZINC000095919565 185031926 /nfs/dbraw/zinc/03/19/26/185031926.db2.gz DCDBPRGEFUBZBZ-UHFFFAOYSA-N 0 0 282.730 3.709 10 0 CHAERN O[C@@H](c1ccccc1)C1=CCC(Cl)(Cl)C=C1 ZINC000095932595 185032940 /nfs/dbraw/zinc/03/29/40/185032940.db2.gz WLGVEKFIUMWTPC-LBPRGKRZSA-N 0 0 255.144 3.780 10 0 CHAERN CNc1nc(-c2cc(Br)cs2)cs1 ZINC000082625080 178139905 /nfs/dbraw/zinc/13/99/05/178139905.db2.gz ZYTSOZRUEXDGFK-UHFFFAOYSA-N 0 0 275.196 3.676 10 0 CHAERN Cc1cnc(Cl)c2cccc(Br)c12 ZINC000082766612 178280487 /nfs/dbraw/zinc/28/04/87/178280487.db2.gz XBVUSYONVYUDGV-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1cc(C)c2cc(Br)cc(C)c2n1 ZINC000082788376 178293488 /nfs/dbraw/zinc/29/34/88/178293488.db2.gz VLAFVKLDOVBZML-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN CO[C@@H](C)c1cccc(-c2c[nH]nc2-c2ccncc2)c1 ZINC000096133801 185104495 /nfs/dbraw/zinc/10/44/95/185104495.db2.gz GPDNPOAJRZXLBS-LBPRGKRZSA-N 0 0 279.343 3.846 10 0 CHAERN CCCOc1ccc(C(=O)C2CC2)cc1Br ZINC000083229449 178362051 /nfs/dbraw/zinc/36/20/51/178362051.db2.gz RNRWLNYTCVNTGZ-UHFFFAOYSA-N 0 0 283.165 3.831 10 0 CHAERN Oc1ccc(CNc2ccc(Cl)cc2)cc1F ZINC000083385623 178394398 /nfs/dbraw/zinc/39/43/98/178394398.db2.gz SKKKUSYWTLNFLO-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1cccc(CNc2cc(F)ccc2Cl)c1 ZINC000083385653 178395053 /nfs/dbraw/zinc/39/50/53/178395053.db2.gz OMAIQLLHEOWLIY-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN COc1cccc2c(OC(C)=O)cn(Cc3ccccc3)c21 ZINC000096675611 185109758 /nfs/dbraw/zinc/10/97/58/185109758.db2.gz HWJJHKUKBWCHJY-UHFFFAOYSA-N 0 0 295.338 3.624 10 0 CHAERN Cc1ccc2c(ccnc2Nc2cccc(N(C)C)c2)c1N ZINC000096846322 185117575 /nfs/dbraw/zinc/11/75/75/185117575.db2.gz TUTOVYIQFMMARY-UHFFFAOYSA-N 0 0 292.386 3.935 10 0 CHAERN CCCN(Cc1ccccc1)C(=O)N[C@@H](C)C(C)C ZINC000125939906 187205689 /nfs/dbraw/zinc/20/56/89/187205689.db2.gz WJNKOZCXIQCWGA-AWEZNQCLSA-N 0 0 262.397 3.653 10 0 CHAERN CN(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 ZINC000001042148 529774488 /nfs/dbraw/zinc/77/44/88/529774488.db2.gz PCKPYMMHFFXBPF-UHFFFAOYSA-N 0 0 265.312 3.526 10 0 in-vitro CHAERN Clc1nc(Cl)c2c(n1)-c1ccccc1CC2 ZINC000084123152 178797906 /nfs/dbraw/zinc/79/79/06/178797906.db2.gz LWVLIYHECBKBAE-UHFFFAOYSA-N 0 0 251.116 3.549 10 0 CHAERN CC(C)(C)SCCNC(=O)C(Cl)=C(Cl)Cl ZINC000002576621 169812418 /nfs/dbraw/zinc/81/24/18/169812418.db2.gz RHNBNJYCKQSHBF-UHFFFAOYSA-N 0 0 290.643 3.520 10 0 CHAERN O=S(=O)(c1cc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000097758470 185662877 /nfs/dbraw/zinc/66/28/77/185662877.db2.gz OEHZHRPMEZHFCO-UHFFFAOYSA-N 0 0 291.759 3.654 10 0 CHAERN CCCCO[C@H](C)OC(C(F)(F)F)C(F)(F)F ZINC000098210587 185699622 /nfs/dbraw/zinc/69/96/22/185699622.db2.gz ULORQHDOIIRRSJ-LURJTMIESA-N 0 0 268.197 3.659 10 0 CHAERN Cc1ccc(N2C[C@@H](C)Cc3ccccc32)c(N)c1 ZINC000103944352 136553525 /nfs/dbraw/zinc/55/35/25/136553525.db2.gz FIZFFMARBVXZQJ-ZDUSSCGKSA-N 0 0 252.361 3.908 10 0 CHAERN O=C1CCN(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000019806679 136578562 /nfs/dbraw/zinc/57/85/62/136578562.db2.gz DNLUBCBKAIDFPX-UHFFFAOYSA-N 0 0 267.328 3.648 10 0 CHAERN Cc1ccc(C)c(O[C@@H]2C[C@@H](C(C)C)CC[C@@H]2O)c1 ZINC000103969032 185871244 /nfs/dbraw/zinc/87/12/44/185871244.db2.gz CYSUXLLTQRIOQO-YQQAZPJKSA-N 0 0 262.393 3.868 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1N[C@@H]1CCOC1 ZINC000104063418 185890577 /nfs/dbraw/zinc/89/05/77/185890577.db2.gz ZVWGSMMNBMYTKK-MRVPVSSYSA-N 0 0 265.662 3.560 10 0 CHAERN CCCOc1cc(N[C@@H](C)CCC)c(N)cc1F ZINC000104128971 185900341 /nfs/dbraw/zinc/90/03/41/185900341.db2.gz XCVZLPOQCRSPSO-JTQLQIEISA-N 0 0 254.349 3.797 10 0 CHAERN O[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1Cl ZINC000104253439 185945076 /nfs/dbraw/zinc/94/50/76/185945076.db2.gz VLWAUTLEEPNESD-GHMZBOCLSA-N 0 0 279.689 3.684 10 0 CHAERN OCc1ccccc1Sc1cc(F)ccc1F ZINC000104286498 185954748 /nfs/dbraw/zinc/95/47/48/185954748.db2.gz FNBYAGGWSRIARN-UHFFFAOYSA-N 0 0 252.285 3.608 10 0 CHAERN CCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1Cl ZINC000089194833 179750493 /nfs/dbraw/zinc/75/04/93/179750493.db2.gz KQSZWASOPSKBCR-UHFFFAOYSA-N 0 0 286.759 3.668 10 0 CHAERN COc1cccc(COCc2c(N)cccc2Cl)c1 ZINC000104318844 185966606 /nfs/dbraw/zinc/96/66/06/185966606.db2.gz VKURJYWEHOSQDU-UHFFFAOYSA-N 0 0 277.751 3.648 10 0 CHAERN C[C@H](c1cccs1)N(C)C(=O)c1c(N)cccc1Cl ZINC000104339494 185975593 /nfs/dbraw/zinc/97/55/93/185975593.db2.gz SWERFGUYTSRTOL-SECBINFHSA-N 0 0 294.807 3.817 10 0 CHAERN CCCCC[C@H](C)NC(=O)c1c(N)cccc1Cl ZINC000104344638 185977022 /nfs/dbraw/zinc/97/70/22/185977022.db2.gz ZYABXHJLXDRIEI-JTQLQIEISA-N 0 0 268.788 3.621 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1c(C=O)cccc1OC ZINC000104380726 185987303 /nfs/dbraw/zinc/98/73/03/185987303.db2.gz ASDPNZKAFCHZQK-GXTWGEPZSA-N 0 0 262.349 3.855 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1c(C=O)cccc1OC ZINC000104380720 185987631 /nfs/dbraw/zinc/98/76/31/185987631.db2.gz ASDPNZKAFCHZQK-OCCSQVGLSA-N 0 0 262.349 3.855 10 0 CHAERN CCC(CC)[C@H](C)Nc1ccc(C(N)=S)cc1F ZINC000104437477 186000975 /nfs/dbraw/zinc/00/09/75/186000975.db2.gz IQKIOSLBAFGGOJ-VIFPVBQESA-N 0 0 268.401 3.697 10 0 CHAERN CCC(CC)[C@H](C)Nc1cc(C)ccc1C(N)=S ZINC000104438467 186002098 /nfs/dbraw/zinc/00/20/98/186002098.db2.gz IAYOBSPFKHBRIZ-NSHDSACASA-N 0 0 264.438 3.866 10 0 CHAERN CC(C)(C)c1ccc([C@@H]2OC(=O)c3ccccc32)o1 ZINC000090662762 180019793 /nfs/dbraw/zinc/01/97/93/180019793.db2.gz BQBGYKNOCXNSJS-CQSZACIVSA-N 0 0 256.301 3.837 10 0 CHAERN CN(C)c1ccc(-c2oc(-c3ccccc3)nc2C=O)cc1 ZINC000090669492 180020013 /nfs/dbraw/zinc/02/00/13/180020013.db2.gz PPFYGQVUYGAHPX-UHFFFAOYSA-N 0 0 292.338 3.887 10 0 CHAERN CC(C)(C)C1=NCCc2ccc(Br)cc21 ZINC000090764757 180037266 /nfs/dbraw/zinc/03/72/66/180037266.db2.gz MUHAYBPYVGJPMA-UHFFFAOYSA-N 0 0 266.182 3.840 10 0 CHAERN Clc1cc(Cl)nc(OCc2ccccc2)c1 ZINC000091362231 180141678 /nfs/dbraw/zinc/14/16/78/180141678.db2.gz DURRQBWMZUTJNA-UHFFFAOYSA-N 0 0 254.116 3.967 10 0 CHAERN CSc1ccc(C(=O)Cc2ccc(F)cc2)cc1 ZINC000092230308 180347381 /nfs/dbraw/zinc/34/73/81/180347381.db2.gz ZRDPBDKPWLKWKR-UHFFFAOYSA-N 0 0 260.333 3.973 10 0 CHAERN Nc1ccc(-c2ccc(Br)s2)s1 ZINC000105889440 186083947 /nfs/dbraw/zinc/08/39/47/186083947.db2.gz OOYFGQROSLAPQF-UHFFFAOYSA-N 0 0 260.181 3.821 10 0 CHAERN CCCNc1nc(-c2cccs2)nc(CC)c1C ZINC000110468309 186298357 /nfs/dbraw/zinc/29/83/57/186298357.db2.gz OLKXXABQPWDXJX-UHFFFAOYSA-N 0 0 261.394 3.898 10 0 CHAERN O=C(Nc1cnc2ccccc2c1)[C@H]1C[C@@H]1c1ccco1 ZINC000121454386 186973402 /nfs/dbraw/zinc/97/34/02/186973402.db2.gz IBGXCPZEOXPVPO-KBPBESRZSA-N 0 0 278.311 3.570 10 0 CHAERN O=C([C@H]1C[C@@H]1c1ccco1)N1CCc2ccc(Cl)cc21 ZINC000121496597 186976702 /nfs/dbraw/zinc/97/67/02/186976702.db2.gz FWDQRSIRDNVBED-STQMWFEESA-N 0 0 287.746 3.626 10 0 CHAERN O=Cc1cn(C2CC2)c2c1cccc2Br ZINC000140783737 187909388 /nfs/dbraw/zinc/90/93/88/187909388.db2.gz PRVXFEFQSUTNTG-UHFFFAOYSA-N 0 0 264.122 3.551 10 0 CHAERN CCOC(=O)[C@@H](CC)c1ccccc1Br ZINC000144509597 187911849 /nfs/dbraw/zinc/91/18/49/187911849.db2.gz GAKXTISOJAAEAP-VIFPVBQESA-N 0 0 271.154 3.506 10 0 CHAERN COc1cccc(-c2coc(-c3ccc(N)cc3)n2)c1 ZINC000328800326 202063226 /nfs/dbraw/zinc/06/32/26/202063226.db2.gz ILWCKUKHKSQFMC-UHFFFAOYSA-N 0 0 266.300 3.599 10 0 in-vitro CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCC2(C)C)o1 ZINC000176432523 261285549 /nfs/dbraw/zinc/28/55/49/261285549.db2.gz AWXXJSOVMZMESA-DGCLKSJQSA-N 0 0 264.369 3.527 10 0 CHAERN CCC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000177827669 261370544 /nfs/dbraw/zinc/37/05/44/261370544.db2.gz AOZCICARUMAQKK-QWRGUYRKSA-N 0 0 277.330 3.804 10 0 CHAERN COc1ccc([C@H]2C[C@@H](c3ccccc3)ON2C)cc1 ZINC000255996532 190000448 /nfs/dbraw/zinc/00/04/48/190000448.db2.gz QFMZPFVAHTYRNQ-SJORKVTESA-N 0 0 269.344 3.745 10 0 CHAERN Cn1ccsc1=Nc1c(Cl)cccc1Cl ZINC000255998726 190000637 /nfs/dbraw/zinc/00/06/37/190000637.db2.gz RCSGGYGPQSUDNR-UHFFFAOYSA-N 0 0 259.161 3.626 10 0 CHAERN Cc1c(C)c2nnc(-c3ccccc3)cc2c(C)c1O ZINC000256012077 190001610 /nfs/dbraw/zinc/00/16/10/190001610.db2.gz XVAQXJLMWLSBST-UHFFFAOYSA-N 0 0 264.328 3.928 10 0 CHAERN CC(=O)c1cc2cccc(Br)c2nc1Cl ZINC000261507314 190040397 /nfs/dbraw/zinc/04/03/97/190040397.db2.gz HJPUPIIZMFWRKV-UHFFFAOYSA-N 0 0 284.540 3.853 10 0 CHAERN CC(C)(C)OC(=O)c1ccc(F)c2ccsc21 ZINC000261509050 190040703 /nfs/dbraw/zinc/04/07/03/190040703.db2.gz ZKLDPKJSEHJLIX-UHFFFAOYSA-N 0 0 252.310 3.996 10 0 CHAERN Cc1cc(OCCCC(=O)NC(C)C)ccc1C(C)C ZINC000002609685 169815434 /nfs/dbraw/zinc/81/54/34/169815434.db2.gz XXEPMJLPVWSLPM-UHFFFAOYSA-N 0 0 277.408 3.802 10 0 CHAERN COc1ccc(NC[C@@H](O)c2ccc(Cl)cc2)cc1F ZINC000037887607 184542578 /nfs/dbraw/zinc/54/25/78/184542578.db2.gz TWFNSSVUUURIEM-CQSZACIVSA-N 0 0 295.741 3.633 10 0 CHAERN CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000400809974 260002938 /nfs/dbraw/zinc/00/29/38/260002938.db2.gz WLKZMGURKCHVEM-JKSUJKDBSA-N 0 0 281.440 3.523 10 0 CHAERN C[C@H]1CCCC(=O)[C@@H]1CCC1(C)OCC(C)(C)CO1 ZINC000253477687 256688869 /nfs/dbraw/zinc/68/88/69/256688869.db2.gz HBRCWDWNTABTHO-QWHCGFSZSA-N 0 0 268.397 3.561 10 0 CHAERN O=C1CCN(c2ccccc2-c2ccccc2)CC1 ZINC000019806684 134710195 /nfs/dbraw/zinc/71/01/95/134710195.db2.gz QQPKYOVTJKEQOW-UHFFFAOYSA-N 0 0 251.329 3.523 10 0 CHAERN CC(=O)Nc1ccccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000003055301 169851187 /nfs/dbraw/zinc/85/11/87/169851187.db2.gz LDJVVNNJCYDHAE-UHFFFAOYSA-N 0 0 296.370 3.823 10 0 CHAERN CN(C)c1ccc([C@@H]2CNN=C2C(=O)c2ccccc2)cc1 ZINC000004707258 170002974 /nfs/dbraw/zinc/00/29/74/170002974.db2.gz RTOXCONWHOTFEV-DLBZAZTESA-N 0 0 293.370 3.554 10 0 CHAERN COc1ccc(-c2[nH]nc3c2cnc2ccccc32)cc1 ZINC000004927919 170041958 /nfs/dbraw/zinc/04/19/58/170041958.db2.gz QZXPJNFIPYROJU-UHFFFAOYSA-N 0 0 275.311 3.787 10 0 CHAERN Cc1cc(N(C)Cc2ccccc2)[nH]c2cc(=O)ccc1-2 ZINC000004961200 170045799 /nfs/dbraw/zinc/04/57/99/170045799.db2.gz QDKXKKMLPLCVAW-UHFFFAOYSA-N 0 0 278.355 3.885 10 0 CHAERN CCCCc1c(C)c(OC(C)=O)c2ccn(C)c2c1OC ZINC000005139120 170070057 /nfs/dbraw/zinc/07/00/57/170070057.db2.gz GXNAEZBIVQOKEX-UHFFFAOYSA-N 0 0 289.375 3.763 10 0 CHAERN COc1ccc([C@H](C(C)C)n2nnc3ccccc32)cc1 ZINC000005284921 170082680 /nfs/dbraw/zinc/08/26/80/170082680.db2.gz KJNFDLYHKIGAQE-KRWDZBQOSA-N 0 0 281.359 3.685 10 0 CHAERN CCCn1c2ccccc2n2cc(C(C)(C)C)nc21 ZINC000005285346 170082700 /nfs/dbraw/zinc/08/27/00/170082700.db2.gz CTUQXEDNHJSUDQ-UHFFFAOYSA-N 0 0 255.365 3.997 10 0 CHAERN CC(C)O[C@H](c1ccccc1O)[C@H](O)c1ccccc1 ZINC000005284779 170082877 /nfs/dbraw/zinc/08/28/77/170082877.db2.gz BDPGFDOURDYTPF-IAGOWNOFSA-N 0 0 272.344 3.592 10 0 CHAERN CCCC(=O)Nc1nc2ccc(SC)cc2s1 ZINC000005299152 170084196 /nfs/dbraw/zinc/08/41/96/170084196.db2.gz KKXGJOFMWGGSJF-UHFFFAOYSA-N 0 0 266.391 3.757 10 0 CHAERN CSc1cccc2sc(NC(=O)C(C)C)nc21 ZINC000005299254 170084507 /nfs/dbraw/zinc/08/45/07/170084507.db2.gz HAQATMOXXJRZQT-UHFFFAOYSA-N 0 0 266.391 3.613 10 0 CHAERN CCOC(=O)C1(CNc2ccc(C)cc2)CCCCC1 ZINC000005325192 170085850 /nfs/dbraw/zinc/08/58/50/170085850.db2.gz XYPWZRRZSAZBPB-UHFFFAOYSA-N 0 0 275.392 3.921 10 0 CHAERN COc1ccc(NCC[C@@H](C)n2nnc3ccccc32)cc1 ZINC000005330390 170086166 /nfs/dbraw/zinc/08/61/66/170086166.db2.gz BWCBWAMVPLOSQY-CYBMUJFWSA-N 0 0 296.374 3.503 10 0 CHAERN C[C@H](c1cn(C)c2ccccc12)n1nnc2ccccc21 ZINC000005330410 170086192 /nfs/dbraw/zinc/08/61/92/170086192.db2.gz LYXOYACXEXJGTP-GFCCVEGCSA-N 0 0 276.343 3.532 10 0 CHAERN Nc1ccccc1CC(O)(c1ccccc1)c1ccccc1 ZINC000005331622 170086431 /nfs/dbraw/zinc/08/64/31/170086431.db2.gz NRJQHOZDXRDYOE-UHFFFAOYSA-N 0 0 289.378 3.747 10 0 CHAERN CCO[C@@H](CCn1nnc2ccccc21)c1ccccc1 ZINC000005334731 170086936 /nfs/dbraw/zinc/08/69/36/170086936.db2.gz UEOFJTZQQXGWAY-KRWDZBQOSA-N 0 0 281.359 3.599 10 0 CHAERN Cc1ccc(C)c(Cn2nc(-c3cccs3)ccc2=O)c1 ZINC000005388088 170093417 /nfs/dbraw/zinc/09/34/17/170093417.db2.gz UHPBQDXZADQOOL-UHFFFAOYSA-N 0 0 296.395 3.637 10 0 CHAERN CCCCNC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000005419778 170097096 /nfs/dbraw/zinc/09/70/96/170097096.db2.gz SKDCPMREOBNBOM-UHFFFAOYSA-N 0 0 276.163 3.532 10 0 CHAERN CCO[C@@H](c1ccc(C)cc1)[C@@H](O)c1ccccc1 ZINC000005474786 170102716 /nfs/dbraw/zinc/10/27/16/170102716.db2.gz KCVWBZONGDKVCI-IRXDYDNUSA-N 0 0 256.345 3.806 10 0 CHAERN Fc1cccc([C@H]2SCc3nc4ccccc4n32)c1 ZINC000005545927 170111704 /nfs/dbraw/zinc/11/17/04/170111704.db2.gz KBLDVUXZJWDYOM-OAHLLOKOSA-N 0 0 270.332 3.969 10 0 CHAERN O=C(/C=C/c1cccc(Cl)c1)N1CCc2ccccc21 ZINC000005685385 170128341 /nfs/dbraw/zinc/12/83/41/170128341.db2.gz OLMBZDWVYBDJKF-CMDGGOBGSA-N 0 0 283.758 3.943 10 0 CHAERN CCOc1ccc(NC(=O)OC(C)(C)C)cc1OCC ZINC000005863587 170148144 /nfs/dbraw/zinc/14/81/44/170148144.db2.gz MHNGMOOWWVYRQF-UHFFFAOYSA-N 0 0 281.352 3.831 10 0 CHAERN Cc1cccnc1NC(=O)/C=C\c1c(F)cccc1Cl ZINC000005932080 170157350 /nfs/dbraw/zinc/15/73/50/170157350.db2.gz JFCBQHQMZQEMGU-FPLPWBNLSA-N 0 0 290.725 3.834 10 0 CHAERN CCc1ccccc1-c1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000005956794 170162289 /nfs/dbraw/zinc/16/22/89/170162289.db2.gz QXHDWDUFNHWYFP-UHFFFAOYSA-N 0 0 279.343 3.710 10 0 CHAERN CCc1ccc(-c2csc(NC(=O)OC)n2)cc1 ZINC000006124635 170178121 /nfs/dbraw/zinc/17/81/21/170178121.db2.gz NYEWUMCBKQQDHN-UHFFFAOYSA-N 0 0 262.334 3.551 10 0 CHAERN C[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000006202227 170182583 /nfs/dbraw/zinc/18/25/83/170182583.db2.gz GTTPERHXSZYFKL-GUOLPTJISA-N 0 0 263.768 3.612 10 0 CHAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000006202391 170182696 /nfs/dbraw/zinc/18/26/96/170182696.db2.gz VGUOFQJHWCELSL-XKZLPGLHSA-N 0 0 277.795 3.858 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1OCc1ccccc1 ZINC000006386353 170197328 /nfs/dbraw/zinc/19/73/28/170197328.db2.gz YVOXWSGODURQLO-AWEZNQCLSA-N 0 0 277.364 3.560 10 0 CHAERN CC[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1C ZINC000006397243 170197930 /nfs/dbraw/zinc/19/79/30/170197930.db2.gz YIYYCGQIHQIQQP-NSHDSACASA-N 0 0 267.319 3.678 10 0 CHAERN Cc1ccc2[nH]c3c(c(=O)c2c1)CCN3c1ccccc1 ZINC000006627969 170220177 /nfs/dbraw/zinc/22/01/77/170220177.db2.gz RBHOGGBFJPVUJO-UHFFFAOYSA-N 0 0 276.339 3.531 10 0 CHAERN Cc1ccccc1-c1nnc(CN2CCc3ccccc32)o1 ZINC000006791450 170244253 /nfs/dbraw/zinc/24/42/53/170244253.db2.gz JUZNIFADPGBBOA-UHFFFAOYSA-N 0 0 291.354 3.608 10 0 CHAERN CC(=O)c1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1 ZINC000006857214 170250188 /nfs/dbraw/zinc/25/01/88/170250188.db2.gz CSDCXUPCWLBLSL-UHFFFAOYSA-N 0 0 296.370 3.834 10 0 CHAERN C[C@H]1[C@H](NC(=S)NC2CCCCC2)CCC[C@@H]1C ZINC000007526463 170289315 /nfs/dbraw/zinc/28/93/15/170289315.db2.gz LVKHMMZDBSBQRM-OUCADQQQSA-N 0 0 268.470 3.608 10 0 CHAERN Cc1cccc(/C=C/C(=O)NCCc2ccc(F)cc2)c1 ZINC000008264677 170327574 /nfs/dbraw/zinc/32/75/74/170327574.db2.gz QGZXPLKHYZMUHJ-JXMROGBWSA-N 0 0 283.346 3.506 10 0 CHAERN Fc1ccccc1-c1nc2ccccc2c(=S)[nH]1 ZINC000008436568 170336589 /nfs/dbraw/zinc/33/65/89/170336589.db2.gz VGRBFLWLUHBVKM-UHFFFAOYSA-N 0 0 256.305 3.725 10 0 CHAERN Cc1cc(C)c(C(=O)Nc2ccccc2C)c(Cl)n1 ZINC000008511105 170338532 /nfs/dbraw/zinc/33/85/32/170338532.db2.gz MRVSJKYFPJHZQI-UHFFFAOYSA-N 0 0 274.751 3.913 10 0 CHAERN CC(=O)c1cccc(NC(=O)OCc2ccccc2)c1 ZINC000008555724 170340079 /nfs/dbraw/zinc/34/00/79/170340079.db2.gz ZLDBXQSFYHBJNF-UHFFFAOYSA-N 0 0 269.300 3.638 10 0 CHAERN CCOC(=O)c1cnc(C(C)C)nc1-c1ccccc1C ZINC000008700208 170346624 /nfs/dbraw/zinc/34/66/24/170346624.db2.gz FMFWULOTURWBBO-UHFFFAOYSA-N 0 0 284.359 3.752 10 0 CHAERN CC(=O)N(Cc1ccco1)c1nc2c(cccc2C)s1 ZINC000008737665 170353443 /nfs/dbraw/zinc/35/34/43/170353443.db2.gz URWDPFILONUVRY-UHFFFAOYSA-N 0 0 286.356 3.751 10 0 CHAERN CCCCC(=O)n1c2cc(C(C)(C)C)ccc2oc1=O ZINC000009528538 170380584 /nfs/dbraw/zinc/38/05/84/170380584.db2.gz NBNLSTIKKGORGI-UHFFFAOYSA-N 0 0 275.348 3.722 10 0 CHAERN Cc1nc2ncnc(N)c2c(-c2ccc(Cl)cc2)c1C ZINC000009694710 170384612 /nfs/dbraw/zinc/38/46/12/170384612.db2.gz PQVQNGYOQRHUTA-UHFFFAOYSA-N 0 0 284.750 3.544 10 0 CHAERN OC[C@@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000011734672 170436702 /nfs/dbraw/zinc/43/67/02/170436702.db2.gz OGUWNMZFQKKROL-CYBMUJFWSA-N 0 0 264.727 3.798 10 0 CHAERN N#[N+][N-]P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000012405215 170485420 /nfs/dbraw/zinc/48/54/20/170485420.db2.gz XGQHZBGZPLCCAJ-UHFFFAOYSA-N 0 0 276.212 3.610 10 0 CHAERN Cc1sc2ncnc(N[C@H](C)c3ccncc3)c2c1C ZINC000015172292 170658835 /nfs/dbraw/zinc/65/88/35/170658835.db2.gz YYYBPRXSSAMDTL-SNVBAGLBSA-N 0 0 284.388 3.876 10 0 CHAERN O=C(Nc1cccc2c1NCCC2)c1ccc(F)cc1F ZINC000019263779 170763503 /nfs/dbraw/zinc/76/35/03/170763503.db2.gz OYKPVKFTQIHORK-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CCc1cccc(C)c1NC(=O)c1c(C)cccc1N ZINC000019390844 170781248 /nfs/dbraw/zinc/78/12/48/170781248.db2.gz QUHLEQNPOHDGCS-UHFFFAOYSA-N 0 0 268.360 3.700 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCc1ccccc1C(N)=S ZINC000019806209 170875228 /nfs/dbraw/zinc/87/52/28/170875228.db2.gz HPFVTAMOSDSSQX-IUODEOHRSA-N 0 0 277.433 3.806 10 0 CHAERN O=C(Nc1cccc2c1NCCC2)Oc1ccccc1 ZINC000019816359 170880994 /nfs/dbraw/zinc/88/09/94/170880994.db2.gz JTNNWOXKFVWOEN-UHFFFAOYSA-N 0 0 268.316 3.656 10 0 CHAERN Nc1cc(NC(=O)CSc2ccccc2)ccc1Cl ZINC000019845968 170894289 /nfs/dbraw/zinc/89/42/89/170894289.db2.gz ZPWBBFOEUCUVOC-UHFFFAOYSA-N 0 0 292.791 3.653 10 0 CHAERN CC[C@@H](C)SCCCC(=O)Nc1ccc(OC)cc1N ZINC000019869848 170901010 /nfs/dbraw/zinc/90/10/10/170901010.db2.gz VUGKGESXBMKKML-LLVKDONJSA-N 0 0 296.436 3.528 10 0 CHAERN COc1ccccc1Oc1ccc(C(C)=O)cc1F ZINC000019871552 170901966 /nfs/dbraw/zinc/90/19/66/170901966.db2.gz VBXRYWHWITZCIZ-UHFFFAOYSA-N 0 0 260.264 3.829 10 0 CHAERN c1coc([C@H](Nc2cccnc2)c2ccccc2)c1 ZINC000019884452 170909159 /nfs/dbraw/zinc/90/91/59/170909159.db2.gz KJGWCGLIDDAANU-MRXNPFEDSA-N 0 0 250.301 3.876 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(NC[C@@H]2CCOC2)c1 ZINC000019885992 170910301 /nfs/dbraw/zinc/91/03/01/170910301.db2.gz NZRXQJDFJYXGNE-QMMMGPOBSA-N 0 0 279.689 3.807 10 0 CHAERN COc1ccc(OC)c(CNc2ccc(F)c(F)c2F)c1 ZINC000019907708 170919559 /nfs/dbraw/zinc/91/95/59/170919559.db2.gz APNWXXNAMSJZRS-UHFFFAOYSA-N 0 0 297.276 3.733 10 0 CHAERN N[C@@H](c1ccc2[nH]c3ccccc3c2c1)C(F)(F)F ZINC000019968314 170950715 /nfs/dbraw/zinc/95/07/15/170950715.db2.gz MOYZZBHAWPDGIP-ZDUSSCGKSA-N 0 0 264.250 3.883 10 0 CHAERN FC(F)Sc1ccccc1NCC(F)(F)F ZINC000020044098 170977246 /nfs/dbraw/zinc/97/72/46/170977246.db2.gz YLJBWCPNQPRBRE-UHFFFAOYSA-N 0 0 257.227 3.976 10 0 CHAERN CCC(=O)Nc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000020132148 171020431 /nfs/dbraw/zinc/02/04/31/171020431.db2.gz VGWJMYRMQBSPIP-CYBMUJFWSA-N 0 0 258.365 3.803 10 0 CHAERN Cc1nn(C)c(C)c1NCc1c(Cl)cccc1Cl ZINC000020135490 171023278 /nfs/dbraw/zinc/02/32/78/171023278.db2.gz VOVXIGIUEYVBTO-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN Nc1cccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000020186224 171050365 /nfs/dbraw/zinc/05/03/65/171050365.db2.gz TUSKVGWLTFJYTM-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN COc1ccc(C)cc1[C@H](C)Nc1cccc(O)c1 ZINC000020193856 171059306 /nfs/dbraw/zinc/05/93/06/171059306.db2.gz YGYNXMVJIPOQOH-LBPRGKRZSA-N 0 0 257.333 3.882 10 0 CHAERN CCN(C(=O)c1ccc(C)c(N)c1)c1cccc(C)c1 ZINC000020195077 171060681 /nfs/dbraw/zinc/06/06/81/171060681.db2.gz QAORTYPYQYBRGH-UHFFFAOYSA-N 0 0 268.360 3.552 10 0 CHAERN O=Cc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020246640 171100555 /nfs/dbraw/zinc/10/05/55/171100555.db2.gz BYPHHRAYJCPPFL-UHFFFAOYSA-N 0 0 263.296 3.626 10 0 CHAERN Nc1cc(F)ccc1Oc1cccc2cccnc21 ZINC000020296630 171136974 /nfs/dbraw/zinc/13/69/74/171136974.db2.gz QIVDGFMYBQWBBS-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN CC(C)NC(=O)[C@H](C)Nc1ccccc1-c1ccccc1 ZINC000020304702 171140926 /nfs/dbraw/zinc/14/09/26/171140926.db2.gz GPELVUJMXOOBBI-AWEZNQCLSA-N 0 0 282.387 3.679 10 0 CHAERN CCOC(=O)Cc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000020311722 171144643 /nfs/dbraw/zinc/14/46/43/171144643.db2.gz XXAUYHDCOJJGQC-UHFFFAOYSA-N 0 0 275.373 3.533 10 0 CHAERN Cc1ccc(CCC(=O)Nc2cc(N)ccc2Cl)cc1 ZINC000020344865 171153844 /nfs/dbraw/zinc/15/38/44/171153844.db2.gz FUKPHFZCHYYEAT-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN Nc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000020351962 171155847 /nfs/dbraw/zinc/15/58/47/171155847.db2.gz VQCZIZIHGIJMII-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN COC(=O)CCOc1ccc(-c2ccccc2)cc1Cl ZINC000020361777 171160306 /nfs/dbraw/zinc/16/03/06/171160306.db2.gz BYCDUUCAXGSYQA-UHFFFAOYSA-N 0 0 290.746 3.949 10 0 CHAERN CCC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020365045 171163829 /nfs/dbraw/zinc/16/38/29/171163829.db2.gz GVMQXLGYXRPPAL-NWDGAFQWSA-N 0 0 280.437 3.514 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1ccccc1C(C)C ZINC000020368012 171166184 /nfs/dbraw/zinc/16/61/84/171166184.db2.gz DWRVQVBDOIFHFM-QWHCGFSZSA-N 0 0 262.397 3.525 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1cccc(Cl)c1F ZINC000020368300 171166436 /nfs/dbraw/zinc/16/64/36/171166436.db2.gz TWQMUHHGFOHDEK-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN S=C1N=NC(Nc2ccc(Cl)cc2Cl)S1 ZINC000020369258 171167183 /nfs/dbraw/zinc/16/71/83/171167183.db2.gz NQUHAYJUQMWZTO-UHFFFAOYSA-N 0 0 278.189 3.877 10 0 CHAERN COc1cc(CO)cc(Cl)c1OC1CCCCC1 ZINC000020377255 171171667 /nfs/dbraw/zinc/17/16/67/171171667.db2.gz SVPMAQRBPDGXFQ-UHFFFAOYSA-N 0 0 270.756 3.552 10 0 CHAERN Cc1ccc(OCc2csc(N)n2)c(C(C)(C)C)c1 ZINC000020393071 171180260 /nfs/dbraw/zinc/18/02/60/171180260.db2.gz KCGGHCXDMPUELY-UHFFFAOYSA-N 0 0 276.405 3.910 10 0 CHAERN OCc1ccccc1Oc1ccccc1Br ZINC000020435081 171200487 /nfs/dbraw/zinc/20/04/87/171200487.db2.gz MULFRCAHGBVXBP-UHFFFAOYSA-N 0 0 279.133 3.734 10 0 CHAERN OCc1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000020435361 171201113 /nfs/dbraw/zinc/20/11/13/171201113.db2.gz PRVVHNYIOBLCLH-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN CCNc1c(Br)cc(C)cc1Br ZINC000020487146 171226034 /nfs/dbraw/zinc/22/60/34/171226034.db2.gz PHTLYRMFYUSIBM-UHFFFAOYSA-N 0 0 293.002 3.952 10 0 CHAERN CCCCCNc1c(F)c(F)c(F)c(F)c1F ZINC000020558268 171250615 /nfs/dbraw/zinc/25/06/15/171250615.db2.gz GKUUAANSXHOVRR-UHFFFAOYSA-N 0 0 253.214 3.984 10 0 CHAERN Clc1ccc([C@@H]2CC(c3ccccc3)=NN2)cc1 ZINC000020578333 171256282 /nfs/dbraw/zinc/25/62/82/171256282.db2.gz RXULPLUJSOLALC-HNNXBMFYSA-N 0 0 256.736 3.779 10 0 CHAERN Cc1cnn([C@@H](C)C23CC4CC(CC(C4)C2)C3)c1N ZINC000020578735 171256847 /nfs/dbraw/zinc/25/68/47/171256847.db2.gz CVYMNEWXKQHMDR-IKMFHRHGSA-N 0 0 259.397 3.551 10 0 CHAERN Nc1ccc(Nc2ccccc2SC(F)F)cn1 ZINC000020585116 171258511 /nfs/dbraw/zinc/25/85/11/171258511.db2.gz YQAQWDVPNANTEF-UHFFFAOYSA-N 0 0 267.304 3.722 10 0 CHAERN CC(C)c1n[nH]c(=S)n1Cc1ccccc1Cl ZINC000020589142 171260346 /nfs/dbraw/zinc/26/03/46/171260346.db2.gz OTILBLOQMMXJFG-UHFFFAOYSA-N 0 0 267.785 3.766 10 0 CHAERN O=c1[nH]c2ccc(NC/C=C/c3ccc(Cl)cc3)cc2[nH]1 ZINC000020877774 171277613 /nfs/dbraw/zinc/27/76/13/171277613.db2.gz RWRLNLNHHOJXBT-OWOJBTEDSA-N 0 0 299.761 3.635 10 0 CHAERN COc1c(Cl)cc(CNCc2ccccn2)cc1Cl ZINC000020928589 171280534 /nfs/dbraw/zinc/28/05/34/171280534.db2.gz ICYVGILWQHRMMO-UHFFFAOYSA-N 0 0 297.185 3.687 10 0 CHAERN CCCCC(=O)Nc1ccccc1NC(=O)[C@H](C)CC ZINC000021005391 171284978 /nfs/dbraw/zinc/28/49/78/171284978.db2.gz GEXRCBMHIQHDCL-GFCCVEGCSA-N 0 0 276.380 3.800 10 0 CHAERN Cc1c(Cl)cc(C(=O)N2CCCCC2)c(F)c1F ZINC000021266605 171300465 /nfs/dbraw/zinc/30/04/65/171300465.db2.gz GWGJWGWDTFEKEP-UHFFFAOYSA-N 0 0 273.710 3.553 10 0 CHAERN Cc1ccc(OCc2ccc(C(N)=S)cc2F)c(C)c1 ZINC000021504159 171306683 /nfs/dbraw/zinc/30/66/83/171306683.db2.gz VWRSHCJCWSFJMK-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2N1 ZINC000021800495 171325656 /nfs/dbraw/zinc/32/56/56/171325656.db2.gz ZEGKZKBCWYWSLX-HOSILWTGSA-N 0 0 286.419 3.764 10 0 CHAERN COc1cc(N[C@@H](C)CCC(C)C)cc(OC)c1 ZINC000021805762 171327442 /nfs/dbraw/zinc/32/74/42/171327442.db2.gz WMKUBKIPEODDHD-LBPRGKRZSA-N 0 0 251.370 3.940 10 0 CHAERN Cc1cc(Oc2ccc(C(N)=S)cn2)ccc1C(C)C ZINC000021815286 171332141 /nfs/dbraw/zinc/33/21/41/171332141.db2.gz OUIVKAHCSSYUAG-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN COc1cc(C(=O)N[C@@H](C)C(C)C)ccc1OCC(C)C ZINC000021871873 171335284 /nfs/dbraw/zinc/33/52/84/171335284.db2.gz YVCJTAVTNFHTIB-ZDUSSCGKSA-N 0 0 293.407 3.504 10 0 CHAERN CCCCC(=O)c1cccc(I)c1 ZINC000021994094 171347328 /nfs/dbraw/zinc/34/73/28/171347328.db2.gz DAILVTQIKQNYEO-UHFFFAOYSA-N 0 0 288.128 3.664 10 0 CHAERN O=C(c1ccncc1)c1cc(Cl)ccc1Cl ZINC000022121794 171353977 /nfs/dbraw/zinc/35/39/77/171353977.db2.gz VXBLNTLSDWPKGV-UHFFFAOYSA-N 0 0 252.100 3.619 10 0 CHAERN Cc1cc(N)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000022143786 171355916 /nfs/dbraw/zinc/35/59/16/171355916.db2.gz KQVFVBYYCUGNHU-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN COc1ccc(NC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000022144055 171355947 /nfs/dbraw/zinc/35/59/47/171355947.db2.gz WWKJNQDELZSNKV-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Nc1ccc(F)c(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000022145846 171356423 /nfs/dbraw/zinc/35/64/23/171356423.db2.gz WOZFYPNPYIVQGY-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000022149919 171358189 /nfs/dbraw/zinc/35/81/89/171358189.db2.gz BNGNMJGGMXVTMO-UHFFFAOYSA-N 0 0 280.302 3.813 10 0 CHAERN C[C@@H]1C[C@H](Oc2nc3sccn3c2C=O)CC(C)(C)C1 ZINC000022158828 171363291 /nfs/dbraw/zinc/36/32/91/171363291.db2.gz VTTLRMAXMADFNJ-MNOVXSKESA-N 0 0 292.404 3.802 10 0 CHAERN CC(C)(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000022209507 171373146 /nfs/dbraw/zinc/37/31/46/171373146.db2.gz SVMAGTBDJNWVDS-UHFFFAOYSA-N 0 0 274.286 3.662 10 0 CHAERN Nc1ccc(NC(=O)CCCOC2CCCC2)c(Cl)c1 ZINC000022220399 171377850 /nfs/dbraw/zinc/37/78/50/171377850.db2.gz PWZOMESSDIPMPG-UHFFFAOYSA-N 0 0 296.798 3.600 10 0 CHAERN Cc1noc(-c2ccco2)c1C(=O)N(C)Cc1ccccc1 ZINC000022625037 171394930 /nfs/dbraw/zinc/39/49/30/171394930.db2.gz VVTJVHNVBNOSIF-UHFFFAOYSA-N 0 0 296.326 3.515 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(F)c1 ZINC000023687013 171425886 /nfs/dbraw/zinc/42/58/86/171425886.db2.gz AQIWTIBTZXXSMK-ZDUSSCGKSA-N 0 0 271.335 3.554 10 0 CHAERN Nc1onc(-c2ccco2)c1-c1ccc(Cl)cc1 ZINC000026512628 171490847 /nfs/dbraw/zinc/49/08/47/171490847.db2.gz BPBDSUDWUBTXRD-UHFFFAOYSA-N 0 0 260.680 3.837 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccncc1 ZINC000027469269 171518084 /nfs/dbraw/zinc/51/80/84/171518084.db2.gz DVIRRAWJSMEGQQ-YUELXQCFSA-N 0 0 261.365 3.699 10 0 CHAERN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1C ZINC000028642597 171568685 /nfs/dbraw/zinc/56/86/85/171568685.db2.gz GMKKFAQURZLIIC-UHFFFAOYSA-N 0 0 282.170 3.591 10 0 CHAERN O=C(c1cccc2ccccc21)c1cnc2ccccc2c1O ZINC000028864759 171578000 /nfs/dbraw/zinc/57/80/00/171578000.db2.gz PXGAAQBCZMLNDD-UHFFFAOYSA-N 0 0 299.329 3.912 10 0 CHAERN CCOC(=O)c1ccc(NCCC2CCCC2)cc1 ZINC000029214177 171589665 /nfs/dbraw/zinc/58/96/65/171589665.db2.gz WREDDMLJWZJBKE-UHFFFAOYSA-N 0 0 261.365 3.856 10 0 CHAERN Cc1nnc(N[C@@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000032830752 171754243 /nfs/dbraw/zinc/75/42/43/171754243.db2.gz RWEBBPBLGCZZII-XHDPSFHLSA-N 0 0 255.365 3.929 10 0 CHAERN O=C(Nc1ccccc1Br)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000032975873 171765966 /nfs/dbraw/zinc/76/59/66/171765966.db2.gz UQOMILOVXRWKAF-VWYCJHECSA-N 0 0 292.176 3.600 10 0 CHAERN CCCCOc1ccc(OC(=O)c2ccc(O)cc2)cc1 ZINC000034080193 171830898 /nfs/dbraw/zinc/83/08/98/171830898.db2.gz NMPRZRJMGXDQJH-UHFFFAOYSA-N 0 0 286.327 3.790 10 0 CHAERN Cc1occc1C(=O)Cc1nc2ccccc2s1 ZINC000034940302 171900046 /nfs/dbraw/zinc/90/00/46/171900046.db2.gz OFERYGBJHJAQKD-UHFFFAOYSA-N 0 0 257.314 3.623 10 0 CHAERN COc1ccc2c(C)c([C@H](N)c3cccs3)oc2c1 ZINC000034972243 171908526 /nfs/dbraw/zinc/90/85/26/171908526.db2.gz JHTYVCIPUYGZMZ-CQSZACIVSA-N 0 0 273.357 3.859 10 0 CHAERN COc1cc(C)ccc1C(=O)CSC(C)(C)C ZINC000035047765 171951884 /nfs/dbraw/zinc/95/18/84/171951884.db2.gz LZVJYJRCSJZTIB-UHFFFAOYSA-N 0 0 252.379 3.718 10 0 CHAERN N=C1c2ccccc2CN1c1cc(Cl)ccc1F ZINC000035082709 171967843 /nfs/dbraw/zinc/96/78/43/171967843.db2.gz ZPMSYIBZWYUIKA-UHFFFAOYSA-N 0 0 260.699 3.825 10 0 CHAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1cccnc1 ZINC000035122674 171992509 /nfs/dbraw/zinc/99/25/09/171992509.db2.gz IOZAARDFVFWBOI-MRVPVSSYSA-N 0 0 268.147 3.957 10 0 CHAERN COc1cc(Cl)c(C)cc1NC[C@@H]1CCCCO1 ZINC000035150838 172013824 /nfs/dbraw/zinc/01/38/24/172013824.db2.gz ITJVGDJZMJTDOQ-NSHDSACASA-N 0 0 269.772 3.638 10 0 CHAERN O=C(c1ccnc(Cl)c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035174291 172028023 /nfs/dbraw/zinc/02/80/23/172028023.db2.gz BTEWYMGRTXZTMV-WCQYABFASA-N 0 0 278.783 3.530 10 0 CHAERN O=C(COc1cccc2cccnc21)c1ccccc1F ZINC000035183478 172036912 /nfs/dbraw/zinc/03/69/12/172036912.db2.gz NKNDLGCRGODICK-UHFFFAOYSA-N 0 0 281.286 3.636 10 0 CHAERN COc1ccc(C(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000035183791 172037186 /nfs/dbraw/zinc/03/71/86/172037186.db2.gz FTSFUQDNAVJOOM-CYBMUJFWSA-N 0 0 270.328 3.654 10 0 CHAERN C[C@@H](Oc1cccc(F)c1)C(=O)c1ccc(F)cc1 ZINC000035184110 172037249 /nfs/dbraw/zinc/03/72/49/172037249.db2.gz FFFZXUWDTNAHEG-SNVBAGLBSA-N 0 0 262.255 3.615 10 0 CHAERN Cc1ccccc1OCC(=O)c1ccc(Cl)cc1 ZINC000035183800 172037298 /nfs/dbraw/zinc/03/72/98/172037298.db2.gz QJHNLKXOPMIPLQ-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN Cc1ccc(C(=O)COc2cccc(F)c2)cc1C ZINC000035184125 172037307 /nfs/dbraw/zinc/03/73/07/172037307.db2.gz FXDFQQDWJIVRFM-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN COc1ccc(O[C@@H](C)C(=O)c2cccc(Cl)c2)cc1 ZINC000035184166 172037821 /nfs/dbraw/zinc/03/78/21/172037821.db2.gz REWCNQOXTJMZHG-NSHDSACASA-N 0 0 290.746 3.999 10 0 CHAERN COc1cc(C)ccc1O[C@@H](C)C(=O)c1ccccc1 ZINC000035184712 172038043 /nfs/dbraw/zinc/03/80/43/172038043.db2.gz OKDBSZLVLUGJOJ-ZDUSSCGKSA-N 0 0 270.328 3.654 10 0 CHAERN CC[C@H](N[C@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000035185752 172039881 /nfs/dbraw/zinc/03/98/81/172039881.db2.gz YUCZZYCDOBFRSS-KBPBESRZSA-N 0 0 283.799 3.578 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1C ZINC000035188946 172044245 /nfs/dbraw/zinc/04/42/45/172044245.db2.gz WTHDSXQABSYMAQ-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN COc1cc(C=O)cc(Br)c1OCC=C(C)C ZINC000035219877 172061044 /nfs/dbraw/zinc/06/10/44/172061044.db2.gz AFKNBVAZKASOGS-UHFFFAOYSA-N 0 0 299.164 3.615 10 0 CHAERN S=c1[nH]nc(N2CCCCCC2)n1C1CCCCC1 ZINC000035222068 172065258 /nfs/dbraw/zinc/06/52/58/172065258.db2.gz NYCYUBFIMKLPEA-UHFFFAOYSA-N 0 0 280.441 3.826 10 0 CHAERN Cc1c(N)cccc1C(=O)Nc1cc(Cl)ccc1F ZINC000035283778 172102022 /nfs/dbraw/zinc/10/20/22/172102022.db2.gz GOTGFOBFNFFOMM-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cc(Cl)ccc1F ZINC000035284190 172102082 /nfs/dbraw/zinc/10/20/82/172102082.db2.gz MIFVKSDAQNKJRR-ZDUSSCGKSA-N 0 0 279.698 3.730 10 0 CHAERN CCCCc1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324271 172126805 /nfs/dbraw/zinc/12/68/05/172126805.db2.gz ZBYYJYPOTBTPPX-OAHLLOKOSA-N 0 0 263.381 3.674 10 0 CHAERN Cc1ccccc1Oc1ccc2cc(N)ccc2n1 ZINC000035343793 172136102 /nfs/dbraw/zinc/13/61/02/172136102.db2.gz GIHHREZFJCZPTK-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN COc1ccc(Nc2ccc3scnc3c2N)cc1 ZINC000035344404 172136645 /nfs/dbraw/zinc/13/66/45/172136645.db2.gz BOYDPHBZZUANDM-UHFFFAOYSA-N 0 0 271.345 3.631 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)o2)c(C)c1 ZINC000035368660 172160184 /nfs/dbraw/zinc/16/01/84/172160184.db2.gz VIEFWNXANMMYRF-UHFFFAOYSA-N 0 0 279.133 3.890 10 0 CHAERN Cc1ccoc1C(=O)c1ccc(Br)cc1 ZINC000035368808 172160218 /nfs/dbraw/zinc/16/02/18/172160218.db2.gz VIKPQLHRVLGWKV-UHFFFAOYSA-N 0 0 265.106 3.582 10 0 CHAERN COc1ccc(C(=O)c2cccs2)cc1Br ZINC000035369349 172161143 /nfs/dbraw/zinc/16/11/43/172161143.db2.gz NUVZJIDTUQRPHF-UHFFFAOYSA-N 0 0 297.173 3.750 10 0 CHAERN Cc1ccsc1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000035369753 172161330 /nfs/dbraw/zinc/16/13/30/172161330.db2.gz GDSHWDLGMDVUNS-UHFFFAOYSA-N 0 0 259.305 3.908 10 0 CHAERN O=C([O-])CCC[NH2+]Cc1sc2ccccc2c1Cl ZINC000035423207 172192066 /nfs/dbraw/zinc/19/20/66/172192066.db2.gz KSFPKYXXRZHSTC-UHFFFAOYSA-N 0 0 283.780 3.509 10 0 CHAERN Cc1ccc(Cl)c(Oc2nc3sccn3c2C=O)c1 ZINC000035428621 172196809 /nfs/dbraw/zinc/19/68/09/172196809.db2.gz YEXFXNKAZODWPF-UHFFFAOYSA-N 0 0 292.747 3.962 10 0 CHAERN Cc1ccc2ccc3cc(C(=O)N4CCCCC4)[nH]c3c2n1 ZINC000035477805 172221554 /nfs/dbraw/zinc/22/15/54/172221554.db2.gz UPVFMFCQVJGJIU-UHFFFAOYSA-N 0 0 293.370 3.651 10 0 CHAERN CN[C@H](c1cc(C)sc1C)C(F)(F)C(F)(F)F ZINC000035497444 172230715 /nfs/dbraw/zinc/23/07/15/172230715.db2.gz TXCKEFORPRLFOJ-MRVPVSSYSA-N 0 0 273.270 3.823 10 0 CHAERN CCN[C@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035543424 172251688 /nfs/dbraw/zinc/25/16/88/172251688.db2.gz JQZKIBQALHJDEY-CQSZACIVSA-N 0 0 251.276 3.565 10 0 CHAERN Cc1cccc(NC(=O)c2ccnc(C(C)(C)C)c2)c1 ZINC000035553289 172260142 /nfs/dbraw/zinc/26/01/42/172260142.db2.gz WWNZIUKKBSILBW-UHFFFAOYSA-N 0 0 268.360 3.940 10 0 CHAERN CCN[C@H](c1cc(OC)c(OC)cc1Cl)C(F)(F)F ZINC000035557506 172262917 /nfs/dbraw/zinc/26/29/17/172262917.db2.gz HSGRHHNUEQRVTJ-LLVKDONJSA-N 0 0 297.704 3.570 10 0 CHAERN Clc1ccc(C2=NN[C@@H](c3cccs3)C2)cc1 ZINC000035577761 172274521 /nfs/dbraw/zinc/27/45/21/172274521.db2.gz PGJOSMLVSRNASM-GFCCVEGCSA-N 0 0 262.765 3.840 10 0 CHAERN Clc1ccc(C2=NN[C@H](c3cccs3)C2)cc1 ZINC000035577758 172274581 /nfs/dbraw/zinc/27/45/81/172274581.db2.gz PGJOSMLVSRNASM-LBPRGKRZSA-N 0 0 262.765 3.840 10 0 CHAERN C[C@@H](O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000035627828 172306846 /nfs/dbraw/zinc/30/68/46/172306846.db2.gz NNJKTGPVMBJUCS-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN Cc1c2cc(C)ccc2oc1C(=O)c1ccccn1 ZINC000035630482 172311502 /nfs/dbraw/zinc/31/15/02/172311502.db2.gz JLGWJMDQFAMUGN-UHFFFAOYSA-N 0 0 251.285 3.676 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(F)cc1 ZINC000035632284 172315020 /nfs/dbraw/zinc/31/50/20/172315020.db2.gz BWDUCFMBSWHGOY-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN CCCC[C@H](CC)C(=O)Nc1cccc(Br)n1 ZINC000035678781 172349782 /nfs/dbraw/zinc/34/97/82/172349782.db2.gz BPNNEJRBVYUVSM-JTQLQIEISA-N 0 0 299.212 3.999 10 0 CHAERN Fc1cc(Br)c2nccc(Cl)c2c1 ZINC000035731105 172381384 /nfs/dbraw/zinc/38/13/84/172381384.db2.gz PVSURQVOBOTWEJ-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN C[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccco1 ZINC000035738797 172392393 /nfs/dbraw/zinc/39/23/93/172392393.db2.gz TWDKACNBCZRFAJ-VXGBXAGGSA-N 0 0 269.348 3.578 10 0 CHAERN COc1ccc([C@@H](C)N[C@H](C)c2ccco2)c(OC)c1 ZINC000035738771 172392504 /nfs/dbraw/zinc/39/25/04/172392504.db2.gz KEGQTEOCAJUEDO-VXGBXAGGSA-N 0 0 275.348 3.709 10 0 CHAERN C[C@@H]1CC(=O)c2cc(Br)ccc2S1 ZINC000035741343 172394989 /nfs/dbraw/zinc/39/49/89/172394989.db2.gz TUDXZEWVFKFPIM-ZCFIWIBFSA-N 0 0 257.152 3.516 10 0 CHAERN Nc1cc(Cl)ccc1N1CCC[C@@H]1c1ccncc1 ZINC000036132378 172454270 /nfs/dbraw/zinc/45/42/70/172454270.db2.gz UCSAMDZQQZECDM-CQSZACIVSA-N 0 0 273.767 3.659 10 0 CHAERN C[C@@H](Nc1ncc(Br)cc1N)c1ccccc1 ZINC000036226309 172523879 /nfs/dbraw/zinc/52/38/79/172523879.db2.gz OVMANQWJXALYRZ-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN O=C(COc1ccc(F)c(F)c1)c1ccc(Cl)s1 ZINC000036324738 172609345 /nfs/dbraw/zinc/60/93/45/172609345.db2.gz UBPGEBOHFLITEA-UHFFFAOYSA-N 0 0 288.702 3.941 10 0 CHAERN COC(=O)c1cc(NCc2csc(C)n2)ccc1Cl ZINC000036918995 172804086 /nfs/dbraw/zinc/80/40/86/172804086.db2.gz PEMMJWVBYVXPQE-UHFFFAOYSA-N 0 0 296.779 3.504 10 0 CHAERN Cc1cccc(N)c1NC(=O)c1c(F)cccc1Cl ZINC000036925493 172808693 /nfs/dbraw/zinc/80/86/93/172808693.db2.gz GQAWTPKQKQDEPM-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccc(-c2noc(N)c2-c2ccccc2)s1 ZINC000036936625 172815797 /nfs/dbraw/zinc/81/57/97/172815797.db2.gz RPWCOOIGNSZYCU-UHFFFAOYSA-N 0 0 256.330 3.961 10 0 CHAERN CC[C@H](C)[C@@H](C)Nc1ccccc1-c1n[nH]c(C)n1 ZINC000036997115 172857571 /nfs/dbraw/zinc/85/75/71/172857571.db2.gz JOAWKEOZUYXFIC-WDEREUQCSA-N 0 0 258.369 3.627 10 0 CHAERN COC(=O)c1cccc(N[C@H](C)c2ccco2)c1C ZINC000037047463 172913694 /nfs/dbraw/zinc/91/36/94/172913694.db2.gz AUDRMFJQCADGHR-LLVKDONJSA-N 0 0 259.305 3.548 10 0 CHAERN COC(=O)c1cc(F)ccc1NC1CCCCCC1 ZINC000037119767 172968684 /nfs/dbraw/zinc/96/86/84/172968684.db2.gz SEEWKZCJNOJFAN-UHFFFAOYSA-N 0 0 265.328 3.747 10 0 CHAERN CCc1ccc([C@@H](C)Nc2ccccc2CO)cc1 ZINC000037133798 172975179 /nfs/dbraw/zinc/97/51/79/172975179.db2.gz FQRQOPATUASKIY-CYBMUJFWSA-N 0 0 255.361 3.914 10 0 CHAERN CCCCCN(C)C(=O)c1ccccc1Br ZINC000037172015 173005176 /nfs/dbraw/zinc/00/51/76/173005176.db2.gz YWXRLJSPJMZDCX-UHFFFAOYSA-N 0 0 284.197 3.711 10 0 CHAERN Nc1ccc(SCc2cc(-c3ccco3)on2)cc1 ZINC000037182065 173014183 /nfs/dbraw/zinc/01/41/83/173014183.db2.gz VCJARESKXJBBKI-UHFFFAOYSA-N 0 0 272.329 3.809 10 0 CHAERN Clc1ccc([C@@H](NC[C@H]2CCCO2)c2ccco2)s1 ZINC000037215276 173035076 /nfs/dbraw/zinc/03/50/76/173035076.db2.gz XZLUKZKZPQGDRM-YGRLFVJLSA-N 0 0 297.807 3.853 10 0 CHAERN CCCc1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000037250237 173062505 /nfs/dbraw/zinc/06/25/05/173062505.db2.gz PCOJOLDMRYJQCS-UHFFFAOYSA-N 0 0 255.317 3.597 10 0 CHAERN COc1ccc([C@@H](C)N[C@H](C)c2ccco2)c(F)c1 ZINC000037260328 173070721 /nfs/dbraw/zinc/07/07/21/173070721.db2.gz OUKZBRHLVNVYPL-GHMZBOCLSA-N 0 0 263.312 3.839 10 0 CHAERN COc1ccc([C@@H](C)N[C@@H](C)c2ccco2)c(F)c1 ZINC000037260324 173070836 /nfs/dbraw/zinc/07/08/36/173070836.db2.gz OUKZBRHLVNVYPL-MNOVXSKESA-N 0 0 263.312 3.839 10 0 CHAERN CCC(C)(C)c1ccc(OCCCC(=O)OC)cc1 ZINC000037286738 173093277 /nfs/dbraw/zinc/09/32/77/173093277.db2.gz OVGDKUHMNPLFJD-UHFFFAOYSA-N 0 0 264.365 3.706 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)c(F)c2)cc1C ZINC000037289096 173093993 /nfs/dbraw/zinc/09/39/93/173093993.db2.gz PVWWPUHQUFGUKX-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN CCOC(=O)c1ccccc1NCc1ccc(C)cc1 ZINC000037301755 173107413 /nfs/dbraw/zinc/10/74/13/173107413.db2.gz KNAQJXJRDHCCKT-UHFFFAOYSA-N 0 0 269.344 3.784 10 0 CHAERN Cc1cccc(OCCC(=O)c2ccc(F)cc2)c1 ZINC000037330166 173131027 /nfs/dbraw/zinc/13/10/27/173131027.db2.gz FNKKOIBFPSLDNV-UHFFFAOYSA-N 0 0 258.292 3.786 10 0 CHAERN CCOC(=O)c1sc(-c2ccc(F)cc2Cl)cc1N ZINC000037337685 173138445 /nfs/dbraw/zinc/13/84/45/173138445.db2.gz YIVNLWHFIAYQLC-UHFFFAOYSA-N 0 0 299.754 3.967 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCC(=O)c1ccc(F)cc1 ZINC000037342436 173142332 /nfs/dbraw/zinc/14/23/32/173142332.db2.gz BEUSCUNWNFWNGW-BLLLJJGKSA-N 0 0 264.340 3.994 10 0 CHAERN Cc1ccc(-c2noc(N)c2-c2ccccc2C)o1 ZINC000037349762 173144794 /nfs/dbraw/zinc/14/47/94/173144794.db2.gz IRANLLLLCBYOHI-UHFFFAOYSA-N 0 0 254.289 3.801 10 0 CHAERN Cc1ccsc1-c1nn(-c2ccccc2)c(N)c1C ZINC000037352422 173145570 /nfs/dbraw/zinc/14/55/70/173145570.db2.gz PUYFLLAXTWSJKT-UHFFFAOYSA-N 0 0 269.373 3.800 10 0 CHAERN CCOc1ccccc1C(=O)c1cc(F)ccc1F ZINC000037354082 173147161 /nfs/dbraw/zinc/14/71/61/173147161.db2.gz VRMDLEYXXJPYGM-UHFFFAOYSA-N 0 0 262.255 3.595 10 0 CHAERN COc1ccccc1CC(=O)c1c[nH]c2ccccc21 ZINC000037361557 173150759 /nfs/dbraw/zinc/15/07/59/173150759.db2.gz CHVBLIVDQFEJTQ-UHFFFAOYSA-N 0 0 265.312 3.602 10 0 CHAERN COc1ccc(C(=O)Cc2ccccc2F)cc1Cl ZINC000037362675 173151837 /nfs/dbraw/zinc/15/18/37/173151837.db2.gz CQXAVZLZEXWUGK-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN Cn1cc(C(=O)c2cccc(F)c2)c2ccccc21 ZINC000037363759 173152375 /nfs/dbraw/zinc/15/23/75/173152375.db2.gz XEMROJBZZMLZAY-UHFFFAOYSA-N 0 0 253.276 3.548 10 0 CHAERN Nc1c(Oc2ccc(F)cc2)ccc2ncccc12 ZINC000037378401 173166376 /nfs/dbraw/zinc/16/63/76/173166376.db2.gz DGJUJLWZQVXWTH-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN CCCc1cc(Cl)nc(-c2cccc(F)c2)n1 ZINC000037409135 173185754 /nfs/dbraw/zinc/18/57/54/173185754.db2.gz WBZKEFGDEJMGJN-UHFFFAOYSA-N 0 0 250.704 3.889 10 0 CHAERN Nc1c(F)cccc1NCc1ccccc1Cl ZINC000037419199 173196239 /nfs/dbraw/zinc/19/62/39/173196239.db2.gz FUPKNWZDXRLWLH-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN COc1ccc(-n2c3cccc(F)c3[nH]c2=S)cc1 ZINC000037422447 173198162 /nfs/dbraw/zinc/19/81/62/173198162.db2.gz AYGLTJQDLGNCBV-UHFFFAOYSA-N 0 0 274.320 3.836 10 0 CHAERN CCOC(=O)[C@H](NC(C)C)c1ccc(Cl)cc1Cl ZINC000037446399 173213417 /nfs/dbraw/zinc/21/34/17/173213417.db2.gz TUGQOPPUPWDAAC-GFCCVEGCSA-N 0 0 290.190 3.596 10 0 CHAERN COC(=O)c1ccc(C)c(NC[C@@H]2CC=CCC2)c1 ZINC000037507923 173242104 /nfs/dbraw/zinc/24/21/04/173242104.db2.gz SNKMQOXBINWBIO-CYBMUJFWSA-N 0 0 259.349 3.550 10 0 CHAERN Cc1ccccc1[C@]1(O)CCCCc2ccccc21 ZINC000037529099 173252420 /nfs/dbraw/zinc/25/24/20/173252420.db2.gz WBUCZANNIXVFRO-GOSISDBHSA-N 0 0 252.357 3.957 10 0 CHAERN O[C@]1(Cc2ccc(Cl)cc2)CCc2ccccc2C1 ZINC000037531310 173253382 /nfs/dbraw/zinc/25/33/82/173253382.db2.gz NHSQROAHYVWNSD-KRWDZBQOSA-N 0 0 272.775 3.803 10 0 CHAERN O[C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037532268 173253721 /nfs/dbraw/zinc/25/37/21/173253721.db2.gz GZBYNOJDUJHJQN-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN COc1ccccc1[C@@H](O)c1ccc(C(C)C)cc1 ZINC000037532422 173253887 /nfs/dbraw/zinc/25/38/87/173253887.db2.gz HHZKFJIPHNKVBX-KRWDZBQOSA-N 0 0 256.345 3.900 10 0 CHAERN O[C@@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037532527 173253930 /nfs/dbraw/zinc/25/39/30/173253930.db2.gz AAIQBWHNFALVJD-HNNXBMFYSA-N 0 0 291.188 3.595 10 0 CHAERN Cc1ccc2sc(-c3ccc(F)c(N)c3)nc2c1 ZINC000037600265 173553812 /nfs/dbraw/zinc/55/38/12/173553812.db2.gz GFFRJXRXHQZQSF-UHFFFAOYSA-N 0 0 258.321 3.993 10 0 CHAERN COCCCO[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000037747550 173669414 /nfs/dbraw/zinc/66/94/14/173669414.db2.gz SRZWVWXYUVIXCR-SECBINFHSA-N 0 0 291.174 3.618 10 0 CHAERN CCCn1cc(N[C@H](C)C2CCCCC2)ccc1=O ZINC000037774737 173706833 /nfs/dbraw/zinc/70/68/33/173706833.db2.gz RIRZUNLFUBTECS-CYBMUJFWSA-N 0 0 262.397 3.639 10 0 CHAERN c1cc(CNc2cccc(N3CCCC3)c2)cs1 ZINC000037775090 173707328 /nfs/dbraw/zinc/70/73/28/173707328.db2.gz XHGXMMJOWRRADR-UHFFFAOYSA-N 0 0 258.390 3.960 10 0 CHAERN CCCC(CCC)(Nc1ccccc1Cl)C(N)=O ZINC000037942242 173882765 /nfs/dbraw/zinc/88/27/65/173882765.db2.gz SLTBYWHUVFFTCD-UHFFFAOYSA-N 0 0 268.788 3.576 10 0 CHAERN CC[C@@H](C)C[C@](CC)(Nc1ccc(Cl)cc1)C(N)=O ZINC000037945138 173886125 /nfs/dbraw/zinc/88/61/25/173886125.db2.gz WNEPOWGLEJMDJQ-ABAIWWIYSA-N 0 0 282.815 3.822 10 0 CHAERN CCC[C@@](C)(Nc1ccccc1Cl)C(=O)OCC ZINC000037955261 173896415 /nfs/dbraw/zinc/89/64/15/173896415.db2.gz YPARNFPJDPGDRE-CQSZACIVSA-N 0 0 269.772 3.874 10 0 CHAERN CCOC(=O)[C@@H](Nc1ccccc1F)c1ccsc1 ZINC000037963151 173906251 /nfs/dbraw/zinc/90/62/51/173906251.db2.gz DXKHTRXRQSPHTK-ZDUSSCGKSA-N 0 0 279.336 3.604 10 0 CHAERN FC(F)(F)CNCCc1ccc2ccccc2c1 ZINC000037973982 173928101 /nfs/dbraw/zinc/92/81/01/173928101.db2.gz DWTHSVMECWONOX-UHFFFAOYSA-N 0 0 253.267 3.534 10 0 CHAERN Nc1cc(F)c(Sc2ccc(F)cc2)c(F)c1 ZINC000038040407 174040183 /nfs/dbraw/zinc/04/01/83/174040183.db2.gz YSKSUXMDPIPANZ-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN COc1ccc(Cl)cc1CNc1cccc2c[nH]nc21 ZINC000038051574 174062820 /nfs/dbraw/zinc/06/28/20/174062820.db2.gz SNIWPNJVSHENMC-UHFFFAOYSA-N 0 0 287.750 3.837 10 0 CHAERN Cc1cccc2oc([C@H]3CNc4ccccc4O3)nc21 ZINC000038052764 174063881 /nfs/dbraw/zinc/06/38/81/174063881.db2.gz GBXOULNAVVDUFJ-CQSZACIVSA-N 0 0 266.300 3.682 10 0 CHAERN Cc1cccc2oc([C@@H]3Cc4ccccc4CN3)nc21 ZINC000038052795 174064078 /nfs/dbraw/zinc/06/40/78/174064078.db2.gz ZSNOUTFNWAQZFX-AWEZNQCLSA-N 0 0 264.328 3.523 10 0 CHAERN O=C(Cn1cc(Cl)cn1)c1ccc(Cl)c(Cl)c1 ZINC000038053747 174065336 /nfs/dbraw/zinc/06/53/36/174065336.db2.gz PEYYBTIZOOHVFF-UHFFFAOYSA-N 0 0 289.549 3.726 10 0 CHAERN CCc1cc2c(ncnc2Oc2cccc(N)c2)s1 ZINC000038056530 174067541 /nfs/dbraw/zinc/06/75/41/174067541.db2.gz YOHFGVFVEGZVFD-UHFFFAOYSA-N 0 0 271.345 3.628 10 0 CHAERN Cc1ccc([C@@H](C)N(C)C(=O)c2ccnc(Cl)c2)s1 ZINC000038057423 174068146 /nfs/dbraw/zinc/06/81/46/174068146.db2.gz BLFUPQLUPDSDFZ-SNVBAGLBSA-N 0 0 294.807 3.938 10 0 CHAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000038066412 174077746 /nfs/dbraw/zinc/07/77/46/174077746.db2.gz JXXDMKJCTWRWLX-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN CCC(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038071823 174082522 /nfs/dbraw/zinc/08/25/22/174082522.db2.gz PVWDFDPQTOWMDL-UHFFFAOYSA-N 0 0 252.313 3.881 10 0 CHAERN COc1cc(F)c(-c2ccc(C=O)c(F)c2)c(F)c1 ZINC000038071666 174082784 /nfs/dbraw/zinc/08/27/84/174082784.db2.gz JOULOHUCAZHJSB-UHFFFAOYSA-N 0 0 266.218 3.592 10 0 CHAERN Cc1cc(C)cc(CC(=O)Cc2ccc(F)cc2)c1 ZINC000038077171 174087694 /nfs/dbraw/zinc/08/76/94/174087694.db2.gz BYYCMPXQSDOOQC-UHFFFAOYSA-N 0 0 256.320 3.797 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000038078413 174088935 /nfs/dbraw/zinc/08/89/35/174088935.db2.gz XYEYUQGPIMUJJE-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN COC(=O)c1sc(Oc2ccc(C)cc2C)nc1Cl ZINC000038082237 174091125 /nfs/dbraw/zinc/09/11/25/174091125.db2.gz HWEWJBWTUPUTMF-UHFFFAOYSA-N 0 0 297.763 3.992 10 0 CHAERN O=CNc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 ZINC000039239932 174166735 /nfs/dbraw/zinc/16/67/35/174166735.db2.gz BSNBGMKPNCZPPW-UHFFFAOYSA-N 0 0 271.360 3.603 10 0 CHAERN CCc1cccc(OC)c1NC(=O)OC(C)(C)C ZINC000039953855 174177929 /nfs/dbraw/zinc/17/79/29/174177929.db2.gz NRHDXCRMFGMRLH-UHFFFAOYSA-N 0 0 251.326 3.605 10 0 CHAERN O=C(Cn1c2ccccc2nc1C1CC1)c1ccccc1 ZINC000040231742 174210629 /nfs/dbraw/zinc/21/06/29/174210629.db2.gz CJXKYNWCZQZPFF-UHFFFAOYSA-N 0 0 276.339 3.797 10 0 CHAERN CCc1ccc(OCc2nc3ccccc3n2C)cc1 ZINC000040234964 174212084 /nfs/dbraw/zinc/21/20/84/174212084.db2.gz OBWDJXGJAISGPM-UHFFFAOYSA-N 0 0 266.344 3.715 10 0 CHAERN CCCC[C@H](O)c1ccc(OCC)c(OCC)c1 ZINC000040248171 174215525 /nfs/dbraw/zinc/21/55/25/174215525.db2.gz ODTGCERESVMRFL-ZDUSSCGKSA-N 0 0 252.354 3.708 10 0 CHAERN COc1cc(Cl)c([C@H](O)c2cccs2)cc1OC ZINC000040259889 174216712 /nfs/dbraw/zinc/21/67/12/174216712.db2.gz WVSUAOZGZIFADQ-ZDUSSCGKSA-N 0 0 284.764 3.500 10 0 CHAERN Cc1cccc(Cn2c3cc(C)c(C)cc3nc2CO)c1 ZINC000040308831 174229569 /nfs/dbraw/zinc/22/95/69/174229569.db2.gz FYGKVRMWLCKLHB-UHFFFAOYSA-N 0 0 280.371 3.502 10 0 CHAERN CCCCCn1c2cc(C)c(C)cc2nc1CCCO ZINC000040310917 174230394 /nfs/dbraw/zinc/23/03/94/174230394.db2.gz WFPPBTRVZINCAX-UHFFFAOYSA-N 0 0 274.408 3.768 10 0 CHAERN Cc1ccccc1Cn1c2cc(C)c(C)cc2nc1CCO ZINC000040310668 174230647 /nfs/dbraw/zinc/23/06/47/174230647.db2.gz FAOJSMQSCUKXJZ-UHFFFAOYSA-N 0 0 294.398 3.545 10 0 CHAERN Cc1ccc(NC(=O)Cc2cc(-c3ccccc3)no2)cc1 ZINC000040325050 174235458 /nfs/dbraw/zinc/23/54/58/174235458.db2.gz CLYBDJXWJLDUHJ-UHFFFAOYSA-N 0 0 292.338 3.831 10 0 CHAERN Nc1cccc(OCC(=O)c2ccc3ccccc3c2)c1 ZINC000040353575 174245293 /nfs/dbraw/zinc/24/52/93/174245293.db2.gz GAIFIQWRGQYWOE-UHFFFAOYSA-N 0 0 277.323 3.684 10 0 CHAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1ccc(F)cc1 ZINC000040354739 174245391 /nfs/dbraw/zinc/24/53/91/174245391.db2.gz FBEGZSHYOJZDRO-OAHLLOKOSA-N 0 0 287.334 3.757 10 0 CHAERN Cc1ccc(-c2nc3ccccc3n2CCCO)c(C)c1 ZINC000040389381 174251830 /nfs/dbraw/zinc/25/18/30/174251830.db2.gz JUQGHSDGXWLFMF-UHFFFAOYSA-N 0 0 280.371 3.703 10 0 CHAERN COCCCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040402795 174253700 /nfs/dbraw/zinc/25/37/00/174253700.db2.gz YXFUIEFVLRQVMM-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN CCCc1nc2cc(C(F)(F)F)ccc2n1CCOC ZINC000040404442 174253853 /nfs/dbraw/zinc/25/38/53/174253853.db2.gz LJKDPLJHIIQBMS-UHFFFAOYSA-N 0 0 286.297 3.654 10 0 CHAERN COCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417882 174256627 /nfs/dbraw/zinc/25/66/27/174256627.db2.gz IKGGRIMTIJOBEQ-UHFFFAOYSA-N 0 0 286.762 3.884 10 0 CHAERN CSc1ccc(-c2noc(-c3ccc(N)cc3)n2)cc1 ZINC000040541752 174322930 /nfs/dbraw/zinc/32/29/30/174322930.db2.gz SBZWXECQMGGYCX-UHFFFAOYSA-N 0 0 283.356 3.708 10 0 CHAERN CCCCNc1ncnc(N(CC)c2cccc(C)c2)c1N ZINC000040661721 174365775 /nfs/dbraw/zinc/36/57/75/174365775.db2.gz WIAOZZRSKWIYBT-UHFFFAOYSA-N 0 0 299.422 3.737 10 0 CHAERN CCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681273 174375237 /nfs/dbraw/zinc/37/52/37/174375237.db2.gz KVSRFGNRIQVTKN-UHFFFAOYSA-N 0 0 286.379 3.680 10 0 CHAERN CC(C)(C)Nc1ncnc(Nc2ccccc2Cl)c1N ZINC000040680581 174375390 /nfs/dbraw/zinc/37/53/90/174375390.db2.gz CMJCPIUECDRTDQ-UHFFFAOYSA-N 0 0 291.786 3.666 10 0 CHAERN Cc1cc(Cl)ccc1Nc1ncnc(NC(C)C)c1N ZINC000040703123 174378928 /nfs/dbraw/zinc/37/89/28/174378928.db2.gz RHVSRLDEULMQOR-UHFFFAOYSA-N 0 0 291.786 3.585 10 0 CHAERN CCNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700859 174379052 /nfs/dbraw/zinc/37/90/52/174379052.db2.gz ZYRYCRUXKLPPLB-UHFFFAOYSA-N 0 0 298.177 3.541 10 0 CHAERN CCOc1ccccc1-c1cn2nc(C(C)C)sc2n1 ZINC000040963610 174440290 /nfs/dbraw/zinc/44/02/90/174440290.db2.gz XNBMNZUAEPOVGH-UHFFFAOYSA-N 0 0 287.388 3.980 10 0 CHAERN CC(=O)c1cnc(-c2c(F)cccc2Cl)s1 ZINC000041325918 174522275 /nfs/dbraw/zinc/52/22/75/174522275.db2.gz ZLYALVJDLFBMNI-UHFFFAOYSA-N 0 0 255.701 3.805 10 0 CHAERN Cc1ccc(C)c(COc2cccc([C@H](C)O)c2)c1 ZINC000041326772 174523214 /nfs/dbraw/zinc/52/32/14/174523214.db2.gz WTUOSCMECSQWOJ-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1ccc(C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000041342466 174526183 /nfs/dbraw/zinc/52/61/83/174526183.db2.gz KQFFGZOOKYNTNZ-MRXNPFEDSA-N 0 0 258.336 3.528 10 0 CHAERN CN(C)c1ccc([C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000041414015 174549761 /nfs/dbraw/zinc/54/97/61/174549761.db2.gz BTGTWZANSMYXQS-MRXNPFEDSA-N 0 0 275.779 3.682 10 0 CHAERN CC(C)CN(c1cc(Br)ccc1CO)C1CC1 ZINC000042558146 174794373 /nfs/dbraw/zinc/79/43/73/174794373.db2.gz JQDXFHLLDGORJU-UHFFFAOYSA-N 0 0 298.224 3.566 10 0 CHAERN CCCCC[C@@H](C)Nc1ccccc1C(N)=S ZINC000042573470 174801231 /nfs/dbraw/zinc/80/12/31/174801231.db2.gz PCYHCADZOOKSES-LLVKDONJSA-N 0 0 250.411 3.702 10 0 CHAERN CC(C)CN(c1ccc([C@@H](C)O)cc1F)C(C)C ZINC000042586191 174808515 /nfs/dbraw/zinc/80/85/15/174808515.db2.gz MSMZADHBUFDGCF-GFCCVEGCSA-N 0 0 253.361 3.750 10 0 CHAERN CCCCN(c1ccc(F)cc1CO)[C@H](C)CC ZINC000042608535 174821171 /nfs/dbraw/zinc/82/11/71/174821171.db2.gz SROICVRWHXOUJE-GFCCVEGCSA-N 0 0 253.361 3.723 10 0 CHAERN CC(C)N(CC(F)(F)F)[C@@H](C)c1ccc(N)cc1 ZINC000042739279 174861262 /nfs/dbraw/zinc/86/12/62/174861262.db2.gz VURPMSGRULRSBN-JTQLQIEISA-N 0 0 260.303 3.603 10 0 CHAERN CC(=O)c1ccc(N(CC(F)(F)F)C(C)C)cc1 ZINC000042768407 174869980 /nfs/dbraw/zinc/86/99/80/174869980.db2.gz VGEPLCFGJHSGDM-UHFFFAOYSA-N 0 0 259.271 3.666 10 0 CHAERN OCCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000043445277 175047715 /nfs/dbraw/zinc/04/77/15/175047715.db2.gz GNQXRMAIPLRHGZ-UHFFFAOYSA-N 0 0 267.678 3.543 10 0 CHAERN O=C1CCCC[C@@H]1Cc1cc(Br)cs1 ZINC000043687990 175095069 /nfs/dbraw/zinc/09/50/69/175095069.db2.gz FUIZXXSEQYISJF-MRVPVSSYSA-N 0 0 273.195 3.812 10 0 CHAERN COc1ccc(C[C@@H]2CCCCCC2=O)cc1F ZINC000043650091 175085541 /nfs/dbraw/zinc/08/55/41/175085541.db2.gz ULWJREDGPMGRGS-LBPRGKRZSA-N 0 0 250.313 3.526 10 0 CHAERN Cc1c(N)cccc1OCc1cc(Br)cs1 ZINC000043686619 175094274 /nfs/dbraw/zinc/09/42/74/175094274.db2.gz BRYACPASMCVNST-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Cc1cc(C)c([C@@H](O)CN(C)c2ccccc2)c(C)c1 ZINC000044116747 175141447 /nfs/dbraw/zinc/14/14/47/175141447.db2.gz SKOHSKOKLMBXPB-KRWDZBQOSA-N 0 0 269.388 3.782 10 0 CHAERN COc1cccc(-c2coc(Br)c2)c1 ZINC000044121077 175142801 /nfs/dbraw/zinc/14/28/01/175142801.db2.gz UKWSCZVVWRRQRH-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN Cc1ccccc1-c1ncc(Br)s1 ZINC000044119773 175142976 /nfs/dbraw/zinc/14/29/76/175142976.db2.gz QQDCVHXFHYOXED-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Cc1ccc([C@@H](O)CN2c3ccccc3C[C@@H]2C)c(C)c1 ZINC000044123277 175143155 /nfs/dbraw/zinc/14/31/55/175143155.db2.gz QBQLWTNXDJQOAV-KXBFYZLASA-N 0 0 281.399 3.788 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N)cc1 ZINC000044135413 175145508 /nfs/dbraw/zinc/14/55/08/175145508.db2.gz USGKAXIJKNBDSV-AWEZNQCLSA-N 0 0 276.380 3.731 10 0 CHAERN CCC[C@H](O)CCc1ccc(Br)s1 ZINC000044469748 175177558 /nfs/dbraw/zinc/17/75/58/175177558.db2.gz XNAFLWIGTBEGFT-QMMMGPOBSA-N 0 0 263.200 3.604 10 0 CHAERN COC(Cc1c(C)cc(C(C)(C)C)cc1C)(OC)OC ZINC000044589321 175211780 /nfs/dbraw/zinc/21/17/80/175211780.db2.gz UQLCULXCLZUGNC-UHFFFAOYSA-N 0 0 280.408 3.736 10 0 CHAERN Cc1cc(NC2CCCC2)nc(Nc2ccccc2)n1 ZINC000045316356 175358362 /nfs/dbraw/zinc/35/83/62/175358362.db2.gz KGDIQZRZAJTRSF-UHFFFAOYSA-N 0 0 268.364 3.883 10 0 CHAERN CCCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1 ZINC000045894898 175385562 /nfs/dbraw/zinc/38/55/62/175385562.db2.gz ULOFOPYHWBEZQE-UHFFFAOYSA-N 0 0 261.712 3.824 10 0 CHAERN Clc1cccc(CNc2nncc3ccccc32)c1 ZINC000054614097 175562378 /nfs/dbraw/zinc/56/23/78/175562378.db2.gz VJSMGLPQUKDRLS-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN CCOC(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000070263815 175885216 /nfs/dbraw/zinc/88/52/16/175885216.db2.gz DFVODUBHJPCXQT-LBPRGKRZSA-N 0 0 298.180 3.743 10 0 CHAERN CC(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000070848702 176008718 /nfs/dbraw/zinc/00/87/18/176008718.db2.gz MFMSWNLDVMGUGL-UHFFFAOYSA-N 0 0 282.162 3.775 10 0 CHAERN Nc1cc(COc2cc(F)ccc2F)ccc1Cl ZINC000071167015 176049304 /nfs/dbraw/zinc/04/93/04/176049304.db2.gz BHRTZENLZZXKRL-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Cc1c(Cl)nnc(O[C@H](C)c2ccccc2)c1C ZINC000071170669 176051546 /nfs/dbraw/zinc/05/15/46/176051546.db2.gz KSCGPUCAWUCEKK-LLVKDONJSA-N 0 0 262.740 3.887 10 0 CHAERN Cc1nc2cc(N[C@H]3CCC[C@@H]3C)c(N)cc2s1 ZINC000071206907 176080415 /nfs/dbraw/zinc/08/04/15/176080415.db2.gz FAAZSSZRMZZTSJ-KWQFWETISA-N 0 0 261.394 3.787 10 0 CHAERN Cc1ccc(F)c(N2Cc3ccc(F)cc3C2=N)c1 ZINC000071268681 176102248 /nfs/dbraw/zinc/10/22/48/176102248.db2.gz JONKEZIAZIKHKG-UHFFFAOYSA-N 0 0 258.271 3.619 10 0 CHAERN CC[C@H](Nc1cnccc1C)c1ccccc1OC ZINC000071413720 176159302 /nfs/dbraw/zinc/15/93/02/176159302.db2.gz TYOAPTJTCOVVFO-AWEZNQCLSA-N 0 0 256.349 3.962 10 0 CHAERN COc1ccc(CC(C)(C)Br)cc1C ZINC000071424261 176160979 /nfs/dbraw/zinc/16/09/79/176160979.db2.gz SOSJAONNZRZLEK-UHFFFAOYSA-N 0 0 257.171 3.720 10 0 CHAERN OCc1c2cc(F)ccc2n(Cc2ccccc2)c1Cl ZINC000071465427 176181322 /nfs/dbraw/zinc/18/13/22/176181322.db2.gz SVPVOWJUGBQAEM-UHFFFAOYSA-N 0 0 289.737 3.974 10 0 CHAERN COc1c(Br)ccc2cc(C)ccc21 ZINC000071477657 176187575 /nfs/dbraw/zinc/18/75/75/176187575.db2.gz VMNCDYDKFBTGDW-UHFFFAOYSA-N 0 0 251.123 3.919 10 0 CHAERN CCc1ccc2ccc(Br)c(O)c2c1 ZINC000071477593 176187644 /nfs/dbraw/zinc/18/76/44/176187644.db2.gz MSSXNXGSBVDLMS-UHFFFAOYSA-N 0 0 251.123 3.870 10 0 CHAERN CCOc1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000071608983 176231044 /nfs/dbraw/zinc/23/10/44/176231044.db2.gz CDGOKOWUQHLTBR-UHFFFAOYSA-N 0 0 270.357 3.944 10 0 CHAERN CC(C)(C)c1ccc(-c2nnc(Br)o2)cc1 ZINC000071631516 176236878 /nfs/dbraw/zinc/23/68/78/176236878.db2.gz ZCTOMOAGJNOMFH-UHFFFAOYSA-N 0 0 281.153 3.797 10 0 CHAERN Cc1ccccc1-c1ncsc1Br ZINC000072192146 176336722 /nfs/dbraw/zinc/33/67/22/176336722.db2.gz MKRJVNOKTACICE-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Clc1ccc(-c2nc3ncc4c(n3n2)CCCCC4)cc1 ZINC000072451491 176404666 /nfs/dbraw/zinc/40/46/66/176404666.db2.gz BGZSYYGAQAMKNV-UHFFFAOYSA-N 0 0 298.777 3.714 10 0 CHAERN O=C1CCC[C@@H](c2ccc(Br)s2)C1 ZINC000076317966 176984602 /nfs/dbraw/zinc/98/46/02/176984602.db2.gz SDWWAISQLBCMHM-SSDOTTSWSA-N 0 0 259.168 3.737 10 0 CHAERN O=C(N[C@@H]1CCC12CCCC2)C1CCC(F)(F)CC1 ZINC000334642024 225232176 /nfs/dbraw/zinc/23/21/76/225232176.db2.gz LZFOUZLQZIBZOF-GFCCVEGCSA-N 0 0 271.351 3.651 10 0 CHAERN O=C(N[C@H]1CCC12CCCC2)C1CCC(F)(F)CC1 ZINC000334642028 225233022 /nfs/dbraw/zinc/23/30/22/225233022.db2.gz LZFOUZLQZIBZOF-LBPRGKRZSA-N 0 0 271.351 3.651 10 0 CHAERN Cc1ccc(C2CC(NCC(F)(F)C(F)F)C2)cc1 ZINC000191774793 227166708 /nfs/dbraw/zinc/16/67/08/227166708.db2.gz XZSADIAKGWMIRV-UHFFFAOYSA-N 0 0 275.289 3.731 10 0 CHAERN C[C@H](N[C@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151480 227329868 /nfs/dbraw/zinc/32/98/68/227329868.db2.gz SIXJWAYOCUUAAW-UBHSHLNASA-N 0 0 285.391 3.574 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nncn1C(C)(C)C ZINC000333060668 228189088 /nfs/dbraw/zinc/18/90/88/228189088.db2.gz MZHIZGAWEQQJHT-UHFFFAOYSA-N 0 0 294.424 3.745 10 0 CHAERN C[C@H]1C[C@@H](c2nc(-c3cocn3)no2)CC(C)(C)C1 ZINC000333214156 228193268 /nfs/dbraw/zinc/19/32/68/228193268.db2.gz QHYHCWVTQFGGST-VHSXEESVSA-N 0 0 261.325 3.654 10 0 CHAERN Cc1nc(-c2noc(C3=CCC(C)(C)CC3)n2)co1 ZINC000333795858 228214871 /nfs/dbraw/zinc/21/48/71/228214871.db2.gz FGJOQZVLHPUODR-UHFFFAOYSA-N 0 0 259.309 3.627 10 0 CHAERN Cc1nc([C@H](C)NCc2nc3ccccc3s2)cs1 ZINC000036915336 260050625 /nfs/dbraw/zinc/05/06/25/260050625.db2.gz HVYNNKWBXCYRCQ-VIFPVBQESA-N 0 0 289.429 3.912 10 0 CHAERN CCOC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000180173820 260095391 /nfs/dbraw/zinc/09/53/91/260095391.db2.gz UGVMQHFRNUZGFM-ARFHVFGLSA-N 0 0 295.467 3.724 10 0 CHAERN CC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCCC1 ZINC000180490893 260103927 /nfs/dbraw/zinc/10/39/27/260103927.db2.gz WCOVDDSARIBVNN-CABCVRRESA-N 0 0 279.424 3.517 10 0 CHAERN Cc1ccsc1[C@@H](C)Nc1cccc(-n2nnnc2C)c1 ZINC000070091220 260151932 /nfs/dbraw/zinc/15/19/32/260151932.db2.gz GWQVPQDIYZSTHA-LLVKDONJSA-N 0 0 299.403 3.514 10 0 CHAERN COc1ccc(C(C)(C)C(=O)Nc2ccccc2OC)cc1 ZINC000041512313 260183844 /nfs/dbraw/zinc/18/38/44/260183844.db2.gz PKGXGSFOXWCUBR-UHFFFAOYSA-N 0 0 299.370 3.620 10 0 CHAERN COc1ccc([C@@H](C)Nc2nc(C)c(C)s2)cc1OC ZINC000087302591 260213170 /nfs/dbraw/zinc/21/31/70/260213170.db2.gz QWXNVNJZRGJAJH-SNVBAGLBSA-N 0 0 292.404 3.950 10 0 CHAERN CC(=O)Nc1cccc(NCC2CCC(C)CC2)c1 ZINC000089575527 260237818 /nfs/dbraw/zinc/23/78/18/260237818.db2.gz RSMMRKIHESASKG-UHFFFAOYSA-N 0 0 260.381 3.883 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085628600 260376837 /nfs/dbraw/zinc/37/68/37/260376837.db2.gz ABEBFJONKOQARV-GDLCADMTSA-N 0 0 265.784 3.874 10 0 CHAERN O=C(CC1CCCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000130242088 260393849 /nfs/dbraw/zinc/39/38/49/260393849.db2.gz OXGSYCJADFZSBC-FUHWJXTLSA-N 0 0 293.451 3.501 10 0 CHAERN O=C(CC1CCCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000130241688 260393863 /nfs/dbraw/zinc/39/38/63/260393863.db2.gz OXGSYCJADFZSBC-SJLPKXTDSA-N 0 0 293.451 3.501 10 0 CHAERN C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1nccs1 ZINC000091730811 260483677 /nfs/dbraw/zinc/48/36/77/260483677.db2.gz DYNBSQWJGVKMMJ-STQMWFEESA-N 0 0 298.415 3.741 10 0 CHAERN CCOC(=O)c1ccc(N[C@H](CC)c2cccs2)nc1 ZINC000049531299 260663134 /nfs/dbraw/zinc/66/31/34/260663134.db2.gz PYOWSBOMPKQDSI-GFCCVEGCSA-N 0 0 290.388 3.883 10 0 CHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000153918430 261084826 /nfs/dbraw/zinc/08/48/26/261084826.db2.gz YDWQQQSZTLBSIS-YPMHNXCESA-N 0 0 279.380 3.551 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CO[C@@H](C)CC)o1 ZINC000155197808 261099320 /nfs/dbraw/zinc/09/93/20/261099320.db2.gz UMAZOFVMZZZQRI-ZFWWWQNUSA-N 0 0 293.407 3.711 10 0 CHAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1cccc(O)c1 ZINC000174720085 261194347 /nfs/dbraw/zinc/19/43/47/261194347.db2.gz KJHUSWRDMYQFSQ-SECBINFHSA-N 0 0 282.265 3.979 10 0 CHAERN CCc1cnc([C@H](C)Nc2ccnc(Cl)c2)s1 ZINC000229735859 261217575 /nfs/dbraw/zinc/21/75/75/261217575.db2.gz BVBYBSSUCZGNDO-QMMMGPOBSA-N 0 0 267.785 3.927 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)COCC ZINC000102613910 261267996 /nfs/dbraw/zinc/26/79/96/261267996.db2.gz JGXGOYWREHVVAY-UHFFFAOYSA-N 0 0 283.799 3.505 10 0 CHAERN Cc1cccc(CSCC(=O)N2CCCC2(C)C)c1 ZINC000102918278 261272824 /nfs/dbraw/zinc/27/28/24/261272824.db2.gz MCRZXDWHIJBLLM-UHFFFAOYSA-N 0 0 277.433 3.629 10 0 CHAERN C[C@H](N(C)C(=O)N[C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000176339537 261280184 /nfs/dbraw/zinc/28/01/84/261280184.db2.gz MABPXHZSNQFRPI-BBRMVZONSA-N 0 0 286.419 3.894 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)c2ccco2)c2ccccc21 ZINC000162742928 261292858 /nfs/dbraw/zinc/29/28/58/261292858.db2.gz PZRKPGIWNSJWEH-SMDDNHRTSA-N 0 0 255.317 3.648 10 0 CHAERN C[C@@H](NC(=O)NCC1(C)CCC1)c1ccc(F)c(F)c1 ZINC000176622527 261299963 /nfs/dbraw/zinc/29/99/63/261299963.db2.gz GWTNFQUDNXSZGL-SNVBAGLBSA-N 0 0 282.334 3.515 10 0 CHAERN C[C@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000301347705 261332730 /nfs/dbraw/zinc/33/27/30/261332730.db2.gz HNVPNXUFELTYIK-MRVPVSSYSA-N 0 0 298.209 3.516 10 0 CHAERN CCCCc1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164653684 261356740 /nfs/dbraw/zinc/35/67/40/261356740.db2.gz VLMZENDYCPKEMH-RHSMWYFYSA-N 0 0 298.434 3.806 10 0 CHAERN Cc1cc(N(C)C)ccc1N[C@H](C)c1cncs1 ZINC000164938798 261362224 /nfs/dbraw/zinc/36/22/24/261362224.db2.gz SCLLALBMAFWDIQ-LLVKDONJSA-N 0 0 261.394 3.691 10 0 CHAERN C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000108721287 261388198 /nfs/dbraw/zinc/38/81/98/261388198.db2.gz QPTPRMBECFONAH-VXGBXAGGSA-N 0 0 287.407 3.812 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2cccc(F)c2)o1 ZINC000173089645 261520359 /nfs/dbraw/zinc/52/03/59/261520359.db2.gz UABCTUHFAVVCMJ-NEPJUHHUSA-N 0 0 275.323 3.708 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc[nH]c2C)o1 ZINC000177062992 261684329 /nfs/dbraw/zinc/68/43/29/261684329.db2.gz OHQMZLUNGRMWKZ-CQSZACIVSA-N 0 0 272.348 3.592 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)c2ncccc2F)CC(C)(C)C1 ZINC000181127800 261885680 /nfs/dbraw/zinc/88/56/80/261885680.db2.gz SWMXQUFGNKKYRJ-NWDGAFQWSA-N 0 0 278.371 3.646 10 0 CHAERN CC(C)n1ccnc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000181415766 261897319 /nfs/dbraw/zinc/89/73/19/261897319.db2.gz JQEYUFHNSRAZSJ-LBPRGKRZSA-N 0 0 277.799 3.968 10 0 CHAERN COCCC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000182863651 261953804 /nfs/dbraw/zinc/95/38/04/261953804.db2.gz DSSROVWRWZEXCD-GRDNDAEWSA-N 0 0 289.419 3.804 10 0 CHAERN CCn1c(C)nnc1CSCCCc1cccc(C)c1 ZINC000183295021 261970055 /nfs/dbraw/zinc/97/00/55/261970055.db2.gz IEGHMRZZQPUDMM-UHFFFAOYSA-N 0 0 289.448 3.781 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cc(F)ccc2C)C12CCOCC2 ZINC000186476028 262094670 /nfs/dbraw/zinc/09/46/70/262094670.db2.gz AJPQJRBISGQFHU-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(C)cc2C)C12CCOCC2 ZINC000186473216 262094816 /nfs/dbraw/zinc/09/48/16/262094816.db2.gz UNUKJAAGLDRKLU-DLBZAZTESA-N 0 0 289.419 3.690 10 0 CHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2C[C@@H]2C)c1C ZINC000186526668 262316096 /nfs/dbraw/zinc/31/60/96/262316096.db2.gz OWZIQDQOFRBVFG-IINYFYTJSA-N 0 0 269.344 3.702 10 0 CHAERN CC(C)C[C@@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270097 262342273 /nfs/dbraw/zinc/34/22/73/262342273.db2.gz IMGUAFHCPNCEQZ-DLUQRMLASA-N 0 0 289.423 3.583 10 0 CHAERN CC1(C)CCCC[C@@H]1c1nc([C@@H]2CCCO2)no1 ZINC000335828696 265219188 /nfs/dbraw/zinc/21/91/88/265219188.db2.gz AOSDJGYQEGZOCK-MNOVXSKESA-N 0 0 250.342 3.605 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(C)cc2F)CC1 ZINC000094196094 265224106 /nfs/dbraw/zinc/22/41/06/265224106.db2.gz IPKIXVAEDJJTGG-UHFFFAOYSA-N 0 0 263.356 3.833 10 0 CHAERN Cc1ncccc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000179282780 265744653 /nfs/dbraw/zinc/74/46/53/265744653.db2.gz LXKLXKBNHUHWPY-SJKOYZFVSA-N 0 0 280.371 3.758 10 0 CHAERN Clc1ncc(CN2C[C@H]3CCCCC[C@@H]32)s1 ZINC000363037928 267073946 /nfs/dbraw/zinc/07/39/46/267073946.db2.gz PYRYKPMMJISWBY-KOLCDFICSA-N 0 0 256.802 3.561 10 0 CHAERN Cc1cccc(CCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116046292 267120954 /nfs/dbraw/zinc/12/09/54/267120954.db2.gz JJXHDQUVJVSJCC-INIZCTEOSA-N 0 0 283.371 3.884 10 0 CHAERN O=C(c1ccc(Cl)cc1O)N1CCC[C@H]1c1ccco1 ZINC000116048110 267121145 /nfs/dbraw/zinc/12/11/45/267121145.db2.gz YAHUNVZHJCOAAM-LBPRGKRZSA-N 0 0 291.734 3.616 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)o1 ZINC000117755703 267221570 /nfs/dbraw/zinc/22/15/70/267221570.db2.gz AAFBHKQMQFLZPM-KGLIPLIRSA-N 0 0 299.370 3.722 10 0 CHAERN Cc1cc(C(=O)N2C[C@@H]3CCCCC[C@@H]32)ccc1F ZINC000370716984 267340732 /nfs/dbraw/zinc/34/07/32/267340732.db2.gz QBUPFHCPOADHIT-ZFWWWQNUSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@H]1c1ccco1)c1cccs1 ZINC000120844397 267518432 /nfs/dbraw/zinc/51/84/32/267518432.db2.gz JLTLBZSGXIVTPC-NEPJUHHUSA-N 0 0 275.373 3.808 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1C[C@@H]2CCCCC[C@H]21 ZINC000377240716 268059260 /nfs/dbraw/zinc/05/92/60/268059260.db2.gz PBSVWJQMPNTVOH-GXSJLCMTSA-N 0 0 299.201 3.793 10 0 CHAERN CNc1ncc(C(=O)Nc2cccc(Cl)c2)cc1Cl ZINC000050728092 522700235 /nfs/dbraw/zinc/70/02/35/522700235.db2.gz IGUXQACVWZJVEW-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CC(C)(C)CCCC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000103428955 327698354 /nfs/dbraw/zinc/69/83/54/327698354.db2.gz QPFBFGHKWIHOPL-UHFFFAOYSA-N 0 0 299.418 3.705 10 0 CHAERN CCc1ccc([C@@H](C)NC(=O)[C@H](C)c2cccnc2)cc1 ZINC000173653147 327772665 /nfs/dbraw/zinc/77/26/65/327772665.db2.gz SNPUFBODEQBABT-ZIAGYGMSSA-N 0 0 282.387 3.625 10 0 CHAERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000387644593 327801707 /nfs/dbraw/zinc/80/17/07/327801707.db2.gz YGZXIOIBJUINLZ-OPQQBVKSSA-N 0 0 296.208 3.672 10 0 CHAERN CC(C)N(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(F)cc1Cl ZINC000155496016 328082154 /nfs/dbraw/zinc/08/21/54/328082154.db2.gz IIBCBWHALUVUGW-YGRLFVJLSA-N 0 0 299.773 3.788 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000230471987 328514143 /nfs/dbraw/zinc/51/41/43/328514143.db2.gz MQEBKAYVMMAFIA-MNOVXSKESA-N 0 0 261.394 3.649 10 0 CHAERN CCc1cnc([C@@H](C)Nc2cc(Cl)nc(C)n2)s1 ZINC000134928705 328518028 /nfs/dbraw/zinc/51/80/28/328518028.db2.gz XAVBYHGPGXBFFE-SSDOTTSWSA-N 0 0 282.800 3.630 10 0 CHAERN CCCC[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186535626 329344904 /nfs/dbraw/zinc/34/49/04/329344904.db2.gz JRMKWUPYIGJGMV-NSHDSACASA-N 0 0 261.369 3.655 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2cccc(F)c2)c1 ZINC000037086683 326836053 /nfs/dbraw/zinc/83/60/53/326836053.db2.gz JBLCQDKIRLVFQT-LBPRGKRZSA-N 0 0 286.350 3.667 10 0 CHAERN CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000049268641 326972260 /nfs/dbraw/zinc/97/22/60/326972260.db2.gz WSOJQFRSGRUGJJ-BDAKNGLRSA-N 0 0 272.751 3.638 10 0 CHAERN C[C@@H](O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000087138612 326988806 /nfs/dbraw/zinc/98/88/06/326988806.db2.gz UDFSEPHPIUUKDA-RITPCOANSA-N 0 0 269.555 3.795 10 0 CHAERN Cc1cc2c(N[C@@H]3CCCc4ccccc43)nccn2n1 ZINC000129377734 327156073 /nfs/dbraw/zinc/15/60/73/327156073.db2.gz PYWOOQJSHPCJBZ-OAHLLOKOSA-N 0 0 278.359 3.527 10 0 CHAERN CC[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000151886799 327519506 /nfs/dbraw/zinc/51/95/06/327519506.db2.gz DONNMBPGGFIDQA-RYUDHWBXSA-N 0 0 280.799 3.843 10 0 CHAERN Cc1cc(NC(=O)c2cccc3ncccc32)ccc1F ZINC000103025796 328728536 /nfs/dbraw/zinc/72/85/36/328728536.db2.gz IRYIPKYQSNCHLZ-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116039665 328933795 /nfs/dbraw/zinc/93/37/95/328933795.db2.gz ZPIYRQDWRVIHFJ-HNNXBMFYSA-N 0 0 299.370 3.639 10 0 CHAERN C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041258 328933967 /nfs/dbraw/zinc/93/39/67/328933967.db2.gz ZUNHBJYVVWTIIN-HOCLYGCPSA-N 0 0 283.371 3.822 10 0 CHAERN Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117723159 328942870 /nfs/dbraw/zinc/94/28/70/328942870.db2.gz XNDLGYHXAMYPNP-UHFFFAOYSA-N 0 0 283.396 3.986 10 0 CHAERN CC(C)n1cccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000122153958 328997186 /nfs/dbraw/zinc/99/71/86/328997186.db2.gz MDBGUKPMPBLUDL-ZDUSSCGKSA-N 0 0 272.348 3.639 10 0 CHAERN CCOC(=O)[C@H](N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000194021925 329064821 /nfs/dbraw/zinc/06/48/21/329064821.db2.gz HQJKZHLSUAJOGJ-CZUORRHYSA-N 0 0 287.359 3.543 10 0 CHAERN Cc1nc([C@H](C)Nc2nc3ccccc3o2)cs1 ZINC000170543321 329067370 /nfs/dbraw/zinc/06/73/70/329067370.db2.gz HIXXUGLWPQLNQI-QMMMGPOBSA-N 0 0 259.334 3.766 10 0 CHAERN Cc1cnn(CCNc2ccnc3ccc(Cl)cc32)c1 ZINC000172151148 329081698 /nfs/dbraw/zinc/08/16/98/329081698.db2.gz SFJMXHOADWWULL-UHFFFAOYSA-N 0 0 286.766 3.505 10 0 CHAERN CCc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000172247991 329084220 /nfs/dbraw/zinc/08/42/20/329084220.db2.gz DEVFOIAOEMHCMV-SFHVURJKSA-N 0 0 283.419 3.591 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173408523 329146802 /nfs/dbraw/zinc/14/68/02/329146802.db2.gz FHVKQSGLQAVRLP-JSGCOSHPSA-N 0 0 294.464 3.984 10 0 CHAERN CCC(CC)c1cc(C(=O)N2CCC3(CCCC3)C2)on1 ZINC000173752510 329148159 /nfs/dbraw/zinc/14/81/59/329148159.db2.gz ULLPGSWUIVVRTD-UHFFFAOYSA-N 0 0 290.407 3.985 10 0 CHAERN CCSCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000174275291 329156262 /nfs/dbraw/zinc/15/62/62/329156262.db2.gz KTZJTCUSORSJHN-CHWSQXEVSA-N 0 0 296.436 3.658 10 0 CHAERN C[C@]1(C(=O)N2CCC3(C2)CCCCC3)CC1(Cl)Cl ZINC000174013299 329156967 /nfs/dbraw/zinc/15/69/67/329156967.db2.gz ZISOMVAFESXTOU-GFCCVEGCSA-N 0 0 290.234 3.753 10 0 CHAERN CSc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1Cl ZINC000176114544 329173881 /nfs/dbraw/zinc/17/38/81/329173881.db2.gz RCKSXXCRKMSMDH-OIBJUYFYSA-N 0 0 270.785 3.592 10 0 CHAERN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 ZINC000176650714 329177878 /nfs/dbraw/zinc/17/78/78/329177878.db2.gz WARDVILXBLUNKB-KBXCAEBGSA-N 0 0 293.366 3.517 10 0 CHAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685495 329178175 /nfs/dbraw/zinc/17/81/75/329178175.db2.gz FTRSWYDIGDQVOX-CJNGLKHVSA-N 0 0 298.434 3.761 10 0 CHAERN Cc1csc([C@@H]2CCCN(c3ccncc3Cl)C2)n1 ZINC000176886639 329179476 /nfs/dbraw/zinc/17/94/76/329179476.db2.gz OXWFFQDQEXDNBX-LLVKDONJSA-N 0 0 293.823 3.884 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(OC3CCCC3)c2)O1 ZINC000178013218 329191404 /nfs/dbraw/zinc/19/14/04/329191404.db2.gz YCRCXSPEEULSNS-WBMJQRKESA-N 0 0 289.375 3.514 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(Cl)c2F)o1 ZINC000220949121 329203968 /nfs/dbraw/zinc/20/39/68/329203968.db2.gz NACLQTXJGUTQSJ-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000180367095 329215352 /nfs/dbraw/zinc/21/53/52/329215352.db2.gz JSYDNPSGEBBERO-ZBFHGGJFSA-N 0 0 291.439 3.690 10 0 CHAERN CCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180441310 329216928 /nfs/dbraw/zinc/21/69/28/329216928.db2.gz QKEMAQIENOXFJX-KGLIPLIRSA-N 0 0 274.408 3.897 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)c2cccnc2)CC(C)(C)C1 ZINC000180469526 329217604 /nfs/dbraw/zinc/21/76/04/329217604.db2.gz VBFLNFXCXKKEDM-CHWSQXEVSA-N 0 0 260.381 3.507 10 0 CHAERN CCOCCC1(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000181166177 329233162 /nfs/dbraw/zinc/23/31/62/329233162.db2.gz SYRUGZYLXXBZHZ-GJZGRUSLSA-N 0 0 295.467 3.772 10 0 CHAERN CC[C@@H]1C[C@H](C(=O)N2CC=C(c3ccccc3)CC2)CCO1 ZINC000182410968 329242178 /nfs/dbraw/zinc/24/21/78/329242178.db2.gz DFGJSIPHPNVLFT-QZTJIDSGSA-N 0 0 299.414 3.508 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2)c2ccccc21 ZINC000182894522 329245714 /nfs/dbraw/zinc/24/57/14/329245714.db2.gz HQYBULJQWDXNQP-PXAZEXFGSA-N 0 0 281.355 3.761 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2)c2ccccc21 ZINC000182894560 329245806 /nfs/dbraw/zinc/24/58/06/329245806.db2.gz HQYBULJQWDXNQP-SJKOYZFVSA-N 0 0 281.355 3.761 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000183607519 329251278 /nfs/dbraw/zinc/25/12/78/329251278.db2.gz MRJSOJNIYPWJMH-TZMCWYRMSA-N 0 0 275.392 3.580 10 0 CHAERN CCn1c(C)nnc1CSCC1CCCCCC1 ZINC000184511013 329259479 /nfs/dbraw/zinc/25/94/79/329259479.db2.gz ZCNQEIRTYXIVIB-UHFFFAOYSA-N 0 0 267.442 3.810 10 0 CHAERN C[C@@H](CCc1ccccc1)Nc1cccc2c1OCC[C@@H]2O ZINC000184568326 329260018 /nfs/dbraw/zinc/26/00/18/329260018.db2.gz WTEOGMZKLHGJCM-KSSFIOAISA-N 0 0 297.398 3.936 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184624359 329261269 /nfs/dbraw/zinc/26/12/69/329261269.db2.gz MTPBLWYTLDEKPU-CQSZACIVSA-N 0 0 271.404 3.743 10 0 CHAERN C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000184694899 329262125 /nfs/dbraw/zinc/26/21/25/329262125.db2.gz ILTFGWLURXXHLG-NEPJUHHUSA-N 0 0 285.347 3.501 10 0 CHAERN Cc1ccc(CN2CCCC[C@H]2c2nccs2)c(C)n1 ZINC000186908799 329350349 /nfs/dbraw/zinc/35/03/49/329350349.db2.gz XVRDTTIRNGBKCB-HNNXBMFYSA-N 0 0 287.432 3.882 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)c2cccnc2c1C ZINC000188405210 329368615 /nfs/dbraw/zinc/36/86/15/329368615.db2.gz BPVMYEUKDDQQLJ-ZIAGYGMSSA-N 0 0 298.386 3.605 10 0 CHAERN CCC[C@@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189859098 329389770 /nfs/dbraw/zinc/38/97/70/329389770.db2.gz JOCREEIKRYZJNY-CQSZACIVSA-N 0 0 287.403 3.518 10 0 CHAERN CC[C@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191197578 329410243 /nfs/dbraw/zinc/41/02/43/329410243.db2.gz GFQAGKLFUIZNMZ-NWDGAFQWSA-N 0 0 281.346 3.717 10 0 CHAERN C[C@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)C1CC1 ZINC000191206280 329410720 /nfs/dbraw/zinc/41/07/20/329410720.db2.gz CHLYOCGCSVKEIR-WCQYABFASA-N 0 0 293.357 3.717 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2c2ncnc3onc(C)c32)o1 ZINC000192464235 329432551 /nfs/dbraw/zinc/43/25/51/329432551.db2.gz QAWCHKDDNRMTEO-LBPRGKRZSA-N 0 0 298.346 3.559 10 0 CHAERN Cc1cnn([C@@H]2CCCN(C(=O)CCCC(C)(C)C)C2)c1 ZINC000105860821 329535327 /nfs/dbraw/zinc/53/53/27/329535327.db2.gz YAYINIJKHIUTDZ-OAHLLOKOSA-N 0 0 291.439 3.571 10 0 CHAERN Fc1ccc2oc(N[C@H]3COc4ccccc43)nc2c1 ZINC000114448555 329543642 /nfs/dbraw/zinc/54/36/42/329543642.db2.gz VALRTFWHNKOMPF-LBPRGKRZSA-N 0 0 270.263 3.513 10 0 CHAERN O=C(CCOCc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116041537 329544411 /nfs/dbraw/zinc/54/44/11/329544411.db2.gz MELWDRWKRXTJGP-INIZCTEOSA-N 0 0 299.370 3.550 10 0 CHAERN Cc1cn2nc(N[C@H]3CCCc4ccccc43)sc2n1 ZINC000045723708 329601503 /nfs/dbraw/zinc/60/15/03/329601503.db2.gz GROPOIKRVSLZPA-ZDUSSCGKSA-N 0 0 284.388 3.589 10 0 CHAERN CCC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760443 329627582 /nfs/dbraw/zinc/62/75/82/329627582.db2.gz KLJHZIUYUCDSRY-GDBMZVCRSA-N 0 0 298.434 3.806 10 0 CHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c(C)c1 ZINC000131044822 329631098 /nfs/dbraw/zinc/63/10/98/329631098.db2.gz ROSQVBDGCCWYNH-CABCVRRESA-N 0 0 298.434 3.643 10 0 CHAERN Cc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c(C)c1 ZINC000131045258 329631255 /nfs/dbraw/zinc/63/12/55/329631255.db2.gz ROSQVBDGCCWYNH-HUUCEWRRSA-N 0 0 298.434 3.643 10 0 CHAERN CCc1cc(C(=O)N[C@H](C)c2ccc(C)o2)oc1CC ZINC000134454409 329659105 /nfs/dbraw/zinc/65/91/05/329659105.db2.gz NEVQHNIGVWZCBN-LLVKDONJSA-N 0 0 275.348 3.797 10 0 CHAERN C[C@@H](NC(=O)Cc1ccncc1)c1ccc2ccccc2c1 ZINC000194952559 329689931 /nfs/dbraw/zinc/68/99/31/329689931.db2.gz DZFAXYACIDWBBO-CQSZACIVSA-N 0 0 290.366 3.655 10 0 CHAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)C(C)C)CC2)n1 ZINC000067923989 329851450 /nfs/dbraw/zinc/85/14/50/329851450.db2.gz IAFCBHDBMRBBDW-GFCCVEGCSA-N 0 0 294.464 3.840 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc3ncccc32)o1 ZINC000073419567 329860822 /nfs/dbraw/zinc/86/08/22/329860822.db2.gz QFRRIIJMYHTQFH-GFCCVEGCSA-N 0 0 280.327 3.627 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2C)o1 ZINC000073419546 329860825 /nfs/dbraw/zinc/86/08/25/329860825.db2.gz KBKUUIOZHXCDIR-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000248640593 329896514 /nfs/dbraw/zinc/89/65/14/329896514.db2.gz ZGJIELCPYQSTEA-KWCYVHTRSA-N 0 0 292.448 3.579 10 0 CHAERN CCC[C@H](C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187583 329947290 /nfs/dbraw/zinc/94/72/90/329947290.db2.gz SILDDEFYRLTSNQ-OFQRWUPVSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CC(C)C)C(=O)[O-])[C@@H](C)C2 ZINC000263057134 330041229 /nfs/dbraw/zinc/04/12/29/330041229.db2.gz LVNDQMVLJICINF-JLJPHGGASA-N 0 0 289.419 3.565 10 0 CHAERN Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162662683 330103987 /nfs/dbraw/zinc/10/39/87/330103987.db2.gz GMLIZKRLRMPHGR-APPDUMDISA-N 0 0 298.386 3.589 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)c2cscn2)c2ccccc21 ZINC000162697659 330108504 /nfs/dbraw/zinc/10/85/04/330108504.db2.gz XFOUFGLYWVQFEN-ZWNOBZJWSA-N 0 0 272.373 3.512 10 0 CHAERN CCCc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606626 330327468 /nfs/dbraw/zinc/32/74/68/330327468.db2.gz JJZKKEKWZGFXTP-UHFFFAOYSA-N 0 0 283.331 3.894 10 0 CHAERN Fc1cc(CN2C[C@H]3CCC[C@H]32)ccc1Br ZINC000533081561 330331515 /nfs/dbraw/zinc/33/15/15/330331515.db2.gz BHHNPQMXSBENTC-ZWNOBZJWSA-N 0 0 284.172 3.573 10 0 CHAERN CCc1c(C)sc2[nH]c(-c3ccccc3C)nc(=O)c12 ZINC000046438568 330352861 /nfs/dbraw/zinc/35/28/61/330352861.db2.gz RWWRHGAUXPCMJY-UHFFFAOYSA-N 0 0 284.384 3.831 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)NCCc1ccsc1 ZINC000046907136 330358794 /nfs/dbraw/zinc/35/87/94/330358794.db2.gz WRHAOAJZURASRY-ZDUSSCGKSA-N 0 0 288.416 3.659 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1F ZINC000119418364 330374751 /nfs/dbraw/zinc/37/47/51/330374751.db2.gz XCSRUIZQFOICGB-SECBINFHSA-N 0 0 280.730 3.607 10 0 CHAERN CCCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119430612 330374926 /nfs/dbraw/zinc/37/49/26/330374926.db2.gz GAYKEBARKGLPQK-STQMWFEESA-N 0 0 281.371 3.517 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536950544 330382230 /nfs/dbraw/zinc/38/22/30/330382230.db2.gz SPOZWPVVSGQMHS-ZFWWWQNUSA-N 0 0 290.407 3.820 10 0 CHAERN Cc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2=O ZINC000536953328 330382731 /nfs/dbraw/zinc/38/27/31/330382731.db2.gz HEULPAZMXOSHAG-UHFFFAOYSA-N 0 0 266.287 3.908 10 0 CHAERN CCc1c(C)nc2snc(Br)c2c1C ZINC000536954139 330382840 /nfs/dbraw/zinc/38/28/40/330382840.db2.gz LMZLIMCCIDLJIO-UHFFFAOYSA-N 0 0 271.183 3.633 10 0 CHAERN CC(C)n1cc(O[C@@H]2CCC[C@H]3C[C@H]3CCC[C@H]2O)cn1 ZINC000536956259 330383174 /nfs/dbraw/zinc/38/31/74/330383174.db2.gz XWDZVMXEJSXYQR-YALNPMBYSA-N 0 0 292.423 3.563 10 0 CHAERN CC[C@]1(Br)COc2c(C)ccc(C)c2O1 ZINC000536956381 330383227 /nfs/dbraw/zinc/38/32/27/330383227.db2.gz WUSUTNBNLNGIQF-GFCCVEGCSA-N 0 0 271.154 3.576 10 0 CHAERN Cn1ccc(-c2ccccc2C(F)(F)F)c1C=O ZINC000536956760 330383230 /nfs/dbraw/zinc/38/32/30/330383230.db2.gz AHSRYHJKJYVOHD-UHFFFAOYSA-N 0 0 253.223 3.523 10 0 CHAERN Nc1ccc(-c2ccc(C=O)cc2)cc1C(F)(F)F ZINC000536956867 330383292 /nfs/dbraw/zinc/38/32/92/330383292.db2.gz AORBHJOEQMTVIZ-UHFFFAOYSA-N 0 0 265.234 3.767 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000121002057 330394352 /nfs/dbraw/zinc/39/43/52/330394352.db2.gz MZRHENPEMBZIRP-DOMZBBRYSA-N 0 0 287.407 3.595 10 0 CHAERN C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1cnccn1 ZINC000090796117 330396305 /nfs/dbraw/zinc/39/63/05/330396305.db2.gz KARNDZXEYLYPLS-WWGRRREGSA-N 0 0 267.376 3.766 10 0 CHAERN C[C@@H](Nc1ncnc2ncccc21)c1ccc(Cl)cc1 ZINC000162907346 330824748 /nfs/dbraw/zinc/82/47/48/330824748.db2.gz AQOVHCLFMBELLC-SNVBAGLBSA-N 0 0 284.750 3.851 10 0 CHAERN C[C@H](NCC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000164093225 331162257 /nfs/dbraw/zinc/16/22/57/331162257.db2.gz JCRPARHORLVZMX-ZDUSSCGKSA-N 0 0 285.387 3.832 10 0 CHAERN CCOc1ccc2nc(NCc3cncs3)sc2c1 ZINC000165407692 331306200 /nfs/dbraw/zinc/30/62/00/331306200.db2.gz JSCIEYZHCXIJIS-UHFFFAOYSA-N 0 0 291.401 3.764 10 0 CHAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1cncs1 ZINC000165616275 331306282 /nfs/dbraw/zinc/30/62/82/331306282.db2.gz IKTCYEWLGXLUIU-NSHDSACASA-N 0 0 270.361 3.502 10 0 CHAERN CCC[C@H](C)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000172954055 332955159 /nfs/dbraw/zinc/95/51/59/332955159.db2.gz AFSMXCMCUAMIED-LSDHHAIUSA-N 0 0 277.408 3.534 10 0 CHAERN C[C@H]1C[C@H]1Nc1ccnc2cc(Br)ccc21 ZINC000309812884 333050000 /nfs/dbraw/zinc/05/00/00/333050000.db2.gz UPZPEDGDULQAOD-QPUJVOFHSA-N 0 0 277.165 3.818 10 0 CHAERN C[C@H]1C[C@H]1Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000309831920 333050091 /nfs/dbraw/zinc/05/00/91/333050091.db2.gz YSZIETOZLQXJFQ-CAHLUQPWSA-N 0 0 295.102 3.683 10 0 CHAERN CC[C@H](NC(=O)c1c(C)cccc1Br)C(C)C ZINC000310571932 333060107 /nfs/dbraw/zinc/06/01/07/333060107.db2.gz OEXLYZGDPWCJPX-LBPRGKRZSA-N 0 0 298.224 3.922 10 0 CHAERN CC(C)c1nn(C)cc1NC(C1CCC1)C1CCC1 ZINC000311568356 333069885 /nfs/dbraw/zinc/06/98/85/333069885.db2.gz FDXDPQDTZHHLQL-UHFFFAOYSA-N 0 0 261.413 3.924 10 0 CHAERN CCC1CCC(NC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000006349938 333081723 /nfs/dbraw/zinc/08/17/23/333081723.db2.gz AIEZYCXFHJVHGA-UHFFFAOYSA-N 0 0 288.391 3.980 10 0 CHAERN CCCCn1cc(C(=O)NC2CCC(CC)CC2)c(C)n1 ZINC000184810510 333132501 /nfs/dbraw/zinc/13/25/01/333132501.db2.gz TTWKJZXZVNTANJ-UHFFFAOYSA-N 0 0 291.439 3.690 10 0 CHAERN OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000219017445 333140136 /nfs/dbraw/zinc/14/01/36/333140136.db2.gz QBEUBUBNMFKNAG-BXUZGUMPSA-N 0 0 288.218 3.634 10 0 CHAERN CSc1cccc(C)c1NCc1nnc(C(C)C)n1C ZINC000185427947 333140575 /nfs/dbraw/zinc/14/05/75/333140575.db2.gz QXPBBFLGPOADEO-UHFFFAOYSA-N 0 0 290.436 3.581 10 0 CHAERN C[C@H](NC(=O)N1CCCC2(CC2)C1)c1cccc(Cl)c1 ZINC000185457557 333141151 /nfs/dbraw/zinc/14/11/51/333141151.db2.gz XDVXANWORMJJSI-LBPRGKRZSA-N 0 0 292.810 3.987 10 0 CHAERN Oc1cncc(/C=C/c2nc(-c3ccccc3Cl)no2)c1 ZINC000186107111 333155064 /nfs/dbraw/zinc/15/50/64/333155064.db2.gz LAODOQRCNVSJRY-AATRIKPKSA-N 0 0 299.717 3.661 10 0 CHAERN Cc1cnc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000220889912 333170310 /nfs/dbraw/zinc/17/03/10/333170310.db2.gz RKTDATSZWZCJII-NXEZZACHSA-N 0 0 266.291 3.673 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(OC(C)C)c2)o1 ZINC000220911075 333170577 /nfs/dbraw/zinc/17/05/77/333170577.db2.gz AMHSKEQTOBEMHK-CYBMUJFWSA-N 0 0 274.364 3.621 10 0 CHAERN C[C@H](N[C@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410864 333170602 /nfs/dbraw/zinc/17/06/02/333170602.db2.gz LQXSHPOKIDVROE-XHDPSFHLSA-N 0 0 293.769 3.863 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(CC1CCC1)c1ccccc1 ZINC000189126753 333181616 /nfs/dbraw/zinc/18/16/16/333181616.db2.gz OQFQNHPWTCUBDG-YOEHRIQHSA-N 0 0 287.403 3.635 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000189493300 333193762 /nfs/dbraw/zinc/19/37/62/333193762.db2.gz GFRDRKHJYRRLAK-YPMHNXCESA-N 0 0 287.325 3.712 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000190306573 333205475 /nfs/dbraw/zinc/20/54/75/333205475.db2.gz XDTNURLPDIKJPL-PELKAZGASA-N 0 0 288.174 3.747 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000190623611 333209045 /nfs/dbraw/zinc/20/90/45/333209045.db2.gz KBIBNKQCCUQPOJ-GRDNDAEWSA-N 0 0 289.419 3.802 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000190734496 333210299 /nfs/dbraw/zinc/21/02/99/333210299.db2.gz NHBJZDTYRQBTJW-UAGQMJEPSA-N 0 0 293.451 3.763 10 0 CHAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000191910251 333227109 /nfs/dbraw/zinc/22/71/09/333227109.db2.gz RKTRDLZXVNLZEQ-MJBXVCDLSA-N 0 0 292.423 3.594 10 0 CHAERN Cc1cc([C@]2(O)CCC[C@H]2C)ccc1Br ZINC000521400583 333250027 /nfs/dbraw/zinc/25/00/27/333250027.db2.gz BCVQXNFDCZYMTE-MFKMUULPSA-N 0 0 269.182 3.765 10 0 CHAERN CC(C)OCc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000194390686 333270387 /nfs/dbraw/zinc/27/03/87/333270387.db2.gz QKCQOAGYAIUUTB-ZDUSSCGKSA-N 0 0 278.396 3.778 10 0 CHAERN C[C@@H]1CC[C@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)O1 ZINC000227020227 333273392 /nfs/dbraw/zinc/27/33/92/333273392.db2.gz HQBFXWXJENUYFR-FRFSOERESA-N 0 0 271.360 3.526 10 0 CHAERN CC1(C)[C@H](Nc2ccc(F)c(Cl)c2)[C@@H]2CCO[C@H]21 ZINC000227063758 333275373 /nfs/dbraw/zinc/27/53/73/333275373.db2.gz FQKISKVXOKCXPR-ZWKOPEQDSA-N 0 0 269.747 3.705 10 0 CHAERN CC1(C)[C@H](Nc2ccccc2OC(F)F)[C@H]2CCO[C@H]21 ZINC000227062312 333275453 /nfs/dbraw/zinc/27/54/53/333275453.db2.gz HPPLXMLIRAASPY-OASPWFOLSA-N 0 0 283.318 3.513 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(C)c(C)cc2C)o1 ZINC000227556143 333285476 /nfs/dbraw/zinc/28/54/76/333285476.db2.gz FJQJXDVFQTVKCG-CQSZACIVSA-N 0 0 258.365 3.759 10 0 CHAERN CC(C)c1cc(Br)ccc1O[C@@H](C)[C@H](C)O ZINC000227998649 333292079 /nfs/dbraw/zinc/29/20/79/333292079.db2.gz ZLOVUWRFMOJSLB-UWVGGRQHSA-N 0 0 287.197 3.721 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CCC[C@H]2C)ncc1Br ZINC000230058735 333312737 /nfs/dbraw/zinc/31/27/37/333312737.db2.gz OJKBMRYJODPUBR-SCZZXKLOSA-N 0 0 297.196 3.527 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000230198244 333315743 /nfs/dbraw/zinc/31/57/43/333315743.db2.gz JQBCCFQKUBIORZ-UFBFGSQYSA-N 0 0 289.272 3.763 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc3ccccc3c2)o1 ZINC000230642460 333319164 /nfs/dbraw/zinc/31/91/64/333319164.db2.gz RJIVGSFZAQDWHY-CYBMUJFWSA-N 0 0 266.344 3.987 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ccc(C(F)(F)F)cn2)o1 ZINC000235248721 333367154 /nfs/dbraw/zinc/36/71/54/333367154.db2.gz WPTZLJWTEDFKLI-MRVPVSSYSA-N 0 0 271.242 3.570 10 0 CHAERN COC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(C)cc1C ZINC000036980929 333448869 /nfs/dbraw/zinc/44/88/69/333448869.db2.gz QJGIAJZHCVEMFA-GDBMZVCRSA-N 0 0 277.408 3.542 10 0 CHAERN COCCn1cc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000037090410 333477716 /nfs/dbraw/zinc/47/77/16/333477716.db2.gz LWPRGIBJYXGKLA-HUUCEWRRSA-N 0 0 279.428 3.546 10 0 CHAERN CC[C@H](C[C@@H](C)CC)Nc1cccc(Cn2cncn2)c1 ZINC000037785141 333540408 /nfs/dbraw/zinc/54/04/08/333540408.db2.gz QWPSQAFMVPHROV-GOEBONIOSA-N 0 0 286.423 3.953 10 0 CHAERN CCc1cc(C(=O)N2CCC[C@@H]2c2ccco2)oc1CC ZINC000126284168 333595913 /nfs/dbraw/zinc/59/59/13/333595913.db2.gz XRJXPIJJYRAPQO-CYBMUJFWSA-N 0 0 287.359 3.975 10 0 CHAERN CC[C@H](NC(=O)c1cc(C)ccc1Br)C(C)C ZINC000128547418 333684820 /nfs/dbraw/zinc/68/48/20/333684820.db2.gz LNHSMPGHHYRTRO-ZDUSSCGKSA-N 0 0 298.224 3.922 10 0 CHAERN CCC1CCC(NC(=O)Cc2cnc3ccccc3c2)CC1 ZINC000129378972 333759132 /nfs/dbraw/zinc/75/91/32/333759132.db2.gz KTMLAWKPXKTANJ-UHFFFAOYSA-N 0 0 296.414 3.862 10 0 CHAERN Cc1ccc(C[S@@](=O)Cc2nccn2C(C)C)cc1C ZINC000129686646 333788034 /nfs/dbraw/zinc/78/80/34/333788034.db2.gz DYYAHTDBKMBECY-FQEVSTJZSA-N 0 0 290.432 3.530 10 0 CHAERN Cc1ccc(C)c(N[C@H](C)c2nc(C(C)C)no2)c1 ZINC000078900317 334142551 /nfs/dbraw/zinc/14/25/51/334142551.db2.gz WTBYXAWJJOIGJV-GFCCVEGCSA-N 0 0 259.353 3.983 10 0 CHAERN CCOc1ccccc1CSCc1nccn1CC ZINC000175274875 335178783 /nfs/dbraw/zinc/17/87/83/335178783.db2.gz STJCJPBPPFUQNL-UHFFFAOYSA-N 0 0 276.405 3.735 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000080427824 334171312 /nfs/dbraw/zinc/17/13/12/334171312.db2.gz RJWSTCFXOYTILH-MLGOLLRUSA-N 0 0 272.392 3.569 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(C)c(NC(C)=O)c2)C1 ZINC000080454855 334171663 /nfs/dbraw/zinc/17/16/63/334171663.db2.gz HRLPEOYNKQRYKD-KGLIPLIRSA-N 0 0 260.381 3.944 10 0 CHAERN CCNC(=O)c1ccc(C)c(N[C@H]2CC[C@@H](CC)C2)c1 ZINC000080454721 334171693 /nfs/dbraw/zinc/17/16/93/334171693.db2.gz VCJLRUSMOJWRHI-HIFRSBDPSA-N 0 0 274.408 3.735 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(F)c(NC(C)=O)c2)C1 ZINC000080457326 334171760 /nfs/dbraw/zinc/17/17/60/334171760.db2.gz FNVOAHCSDPPBEU-VXGBXAGGSA-N 0 0 264.344 3.775 10 0 CHAERN CCn1ccnc1C[S@](=O)Cc1cccc2ccccc21 ZINC000081526867 334194267 /nfs/dbraw/zinc/19/42/67/334194267.db2.gz MMDKXASIDMBANT-NRFANRHFSA-N 0 0 298.411 3.505 10 0 CHAERN COc1cccc(/C(C)=C/c2nc(-c3ccncc3)no2)c1 ZINC000081533893 334194929 /nfs/dbraw/zinc/19/49/29/334194929.db2.gz AUSGTWDUEAVLSY-ZRDIBKRKSA-N 0 0 293.326 3.701 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@H](C)C(C)C ZINC000245999901 334227217 /nfs/dbraw/zinc/22/72/17/334227217.db2.gz CZJUTMVIZKYWNF-KWCYVHTRSA-N 0 0 295.373 3.961 10 0 CHAERN CCC[C@H](CC)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246014922 334227866 /nfs/dbraw/zinc/22/78/66/334227866.db2.gz IZSCWOKVIYSPTL-RWMBFGLXSA-N 0 0 281.346 3.763 10 0 CHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]1C ZINC000247179019 334277129 /nfs/dbraw/zinc/27/71/29/334277129.db2.gz ZRDMTBWRZOBTLJ-DDHJBXDOSA-N 0 0 292.345 3.547 10 0 CHAERN CCCc1sc(C(=O)N[C@H](C)C2CC2)cc1CC ZINC000248250691 334297552 /nfs/dbraw/zinc/29/75/52/334297552.db2.gz LXOVVJLQUFIEDB-SNVBAGLBSA-N 0 0 265.422 3.791 10 0 CHAERN CC[C@H](CN(CC)C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000248473282 334303543 /nfs/dbraw/zinc/30/35/43/334303543.db2.gz KPVQRERFNQJFCT-FMKPAKJESA-N 0 0 274.408 3.620 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249287596 334331386 /nfs/dbraw/zinc/33/13/86/334331386.db2.gz JEJIEWBWRHMADN-BJDJZHNGSA-N 0 0 277.330 3.516 10 0 CHAERN Cc1ccc(Cl)cc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250921976 334353398 /nfs/dbraw/zinc/35/33/98/334353398.db2.gz PKKHOOVRAJDZEF-MRVWCRGKSA-N 0 0 265.784 3.874 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251215761 334358375 /nfs/dbraw/zinc/35/83/75/334358375.db2.gz YPXQJRYLQXBGGL-LERXQTSPSA-N 0 0 281.783 3.574 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2cccc(Cn3cncn3)c2)[C@H]1C ZINC000251621275 334365716 /nfs/dbraw/zinc/36/57/16/334365716.db2.gz CNIQGVLZQNCKEK-JKIFEVAISA-N 0 0 284.407 3.563 10 0 CHAERN CCC[C@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153293406 334583160 /nfs/dbraw/zinc/58/31/60/334583160.db2.gz NOOGQLGAUVNVJI-XHDPSFHLSA-N 0 0 263.356 3.756 10 0 CHAERN CCc1noc(C)c1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000155635258 334725867 /nfs/dbraw/zinc/72/58/67/334725867.db2.gz JJCLDORPFIJWJG-OAHLLOKOSA-N 0 0 299.374 3.745 10 0 CHAERN CSCCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000157074059 334758402 /nfs/dbraw/zinc/75/84/02/334758402.db2.gz YSQNMBXWVKJJEU-DOMZBBRYSA-N 0 0 292.448 3.677 10 0 CHAERN C[C@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000157705968 334781332 /nfs/dbraw/zinc/78/13/32/334781332.db2.gz HURBJQAHYFKPPH-YVEFUNNKSA-N 0 0 298.361 3.518 10 0 CHAERN CSCCCCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157744029 334782823 /nfs/dbraw/zinc/78/28/23/334782823.db2.gz COAVJZFEJZHFQR-OAHLLOKOSA-N 0 0 295.423 3.853 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)c(C)n1 ZINC000157776440 334783755 /nfs/dbraw/zinc/78/37/55/334783755.db2.gz BPCVONDGHVELCT-KRWDZBQOSA-N 0 0 298.361 3.645 10 0 CHAERN Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000158514277 334803935 /nfs/dbraw/zinc/80/39/35/334803935.db2.gz RRKPVAZVASIQCR-HOTGVXAUSA-N 0 0 275.392 3.763 10 0 CHAERN Cc1ccc(N[C@H]2CCCNc3ccccc32)cn1 ZINC000193099787 335574297 /nfs/dbraw/zinc/57/42/97/335574297.db2.gz LRXGSFNMWNIAEF-INIZCTEOSA-N 0 0 253.349 3.749 10 0 CHAERN Cc1ccccc1N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000182534635 335825820 /nfs/dbraw/zinc/82/58/20/335825820.db2.gz ZCQCXIMGPYAICR-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN CSCC1CCC(Nc2cnccc2C)CC1 ZINC000385522561 336150627 /nfs/dbraw/zinc/15/06/27/336150627.db2.gz INDLZAVCNTYVHE-UHFFFAOYSA-N 0 0 250.411 3.724 10 0 CHAERN CC(=O)c1sc(N2CCC[C@@H]3CCCC[C@@H]32)nc1C ZINC000054862435 518496719 /nfs/dbraw/zinc/49/67/19/518496719.db2.gz NJPLSQXGFSWRGD-STQMWFEESA-N 0 0 278.421 3.813 10 0 CHAERN CCNc1ncccc1COc1ccc(C)c(C)c1 ZINC000052734622 520377770 /nfs/dbraw/zinc/37/77/70/520377770.db2.gz HOPNTAUPALDLTB-UHFFFAOYSA-N 0 0 256.349 3.709 10 0 CHAERN CCOC(=O)C(C)(C)c1ccccc1C(F)(F)F ZINC000055233923 520425113 /nfs/dbraw/zinc/42/51/13/520425113.db2.gz PQSWDEJXKAXJCE-UHFFFAOYSA-N 0 0 260.255 3.546 10 0 CHAERN COc1ccc(Nc2ncnc3c(F)cccc23)cc1C ZINC000302897071 534193675 /nfs/dbraw/zinc/19/36/75/534193675.db2.gz PHLVCFMBVZNTKO-UHFFFAOYSA-N 0 0 283.306 3.830 10 0 CHAERN CC(C)c1ccc([C@@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000074144954 517487156 /nfs/dbraw/zinc/48/71/56/517487156.db2.gz AHKGYNQTJDGYAP-GFCCVEGCSA-N 0 0 285.391 3.921 10 0 CHAERN Brc1ccc(OCCOCc2ccco2)cc1 ZINC000049600906 518213808 /nfs/dbraw/zinc/21/38/08/518213808.db2.gz UVSJUJFSYBUWOE-UHFFFAOYSA-N 0 0 297.148 3.638 10 0 CHAERN CC(C)(CC(=O)[O-])C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000061825447 519196979 /nfs/dbraw/zinc/19/69/79/519196979.db2.gz BYDYYXXKKKLYOY-LLVKDONJSA-N 0 0 290.190 3.884 10 0 CHAERN CC(C)(O)CCCc1ccc(Br)cc1 ZINC000057544794 519341254 /nfs/dbraw/zinc/34/12/54/519341254.db2.gz RSFXAVWDGBWTSG-UHFFFAOYSA-N 0 0 257.171 3.543 10 0 CHAERN CC(=O)CCOc1ccc(Cc2ccccc2)cc1 ZINC000051356790 519416300 /nfs/dbraw/zinc/41/63/00/519416300.db2.gz YDGMGUZPYAHCGL-UHFFFAOYSA-N 0 0 254.329 3.635 10 0 CHAERN CC(C)N(Cc1ccc(Cl)cc1N)CC(F)(F)F ZINC000050443234 519654490 /nfs/dbraw/zinc/65/44/90/519654490.db2.gz RKAOQTCUGNOHGV-UHFFFAOYSA-N 0 0 280.721 3.695 10 0 CHAERN CC(C)CN(CC(C)C)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000067040053 519713434 /nfs/dbraw/zinc/71/34/34/519713434.db2.gz PFUITIZYYSBEAJ-UONOGXRCSA-N 0 0 263.381 3.524 10 0 CHAERN Cc1nc(N2CC[C@@H]3CCCC[C@H]32)ccc1Br ZINC000300417852 534447299 /nfs/dbraw/zinc/44/72/99/534447299.db2.gz WGBPLKCNFKTVET-WCQYABFASA-N 0 0 295.224 3.921 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000156265293 519792091 /nfs/dbraw/zinc/79/20/91/519792091.db2.gz TXVWNFGIUJVHLT-LLVKDONJSA-N 0 0 273.336 3.508 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccoc1Cl)[C@@H](C)C2 ZINC000192353718 534449877 /nfs/dbraw/zinc/44/98/77/534449877.db2.gz XZLGMYCEFZQUOX-IINYFYTJSA-N 0 0 289.762 3.905 10 0 CHAERN CC(C)[C@H](C)N(C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054862337 519811800 /nfs/dbraw/zinc/81/18/00/519811800.db2.gz NSLITZLMBWDERX-JTQLQIEISA-N 0 0 280.437 3.779 10 0 CHAERN CC(C)c1ccc([C@@H](C)NCc2csnn2)cc1 ZINC000037044707 519839117 /nfs/dbraw/zinc/83/91/17/519839117.db2.gz JDWWJRWLIKBMQO-LLVKDONJSA-N 0 0 261.394 3.512 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccccn2)cc1 ZINC000126828897 519839615 /nfs/dbraw/zinc/83/96/15/519839615.db2.gz ATHVOZJQOIJDFQ-ZWKOTPCHSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccncc2)cc1 ZINC000126833890 519840390 /nfs/dbraw/zinc/84/03/90/519840390.db2.gz JGBGOCDHYHVHRO-QZTJIDSGSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1cccc(Nc2ccnc(C(N)=S)c2)c1 ZINC000061812416 519842473 /nfs/dbraw/zinc/84/24/73/519842473.db2.gz SFWCPMRINBCJQX-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN CCC1CCC(Nc2cc(C)nc(Cl)n2)CC1 ZINC000052814608 519857203 /nfs/dbraw/zinc/85/72/03/519857203.db2.gz QLBMIWSNKBMNJS-UHFFFAOYSA-N 0 0 253.777 3.819 10 0 CHAERN CCCNc1cc(C)nc(Cc2cccc(Cl)c2)n1 ZINC000050849083 520135328 /nfs/dbraw/zinc/13/53/28/520135328.db2.gz LKYRHDAMTGAAOW-UHFFFAOYSA-N 0 0 275.783 3.851 10 0 CHAERN CCCNc1ccc(C(=O)N(C)[C@@H](C)C(C)C)cc1 ZINC000050754933 520142599 /nfs/dbraw/zinc/14/25/99/520142599.db2.gz OPNZEBGJDVSBFG-ZDUSSCGKSA-N 0 0 262.397 3.625 10 0 CHAERN CCNc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1 ZINC000062667919 520256549 /nfs/dbraw/zinc/25/65/49/520256549.db2.gz KIYBKPGGBSRTHY-UHFFFAOYSA-N 0 0 255.243 3.527 10 0 CHAERN CCNc1cc(CSc2ccc(F)cc2)ccn1 ZINC000052756022 520272931 /nfs/dbraw/zinc/27/29/31/520272931.db2.gz AAHLFFSIYIPAEK-UHFFFAOYSA-N 0 0 262.353 3.945 10 0 CHAERN CCNc1ccccc1C(=O)Nc1ccccc1F ZINC000050728810 520339470 /nfs/dbraw/zinc/33/94/70/520339470.db2.gz RIRNSDRNKISGJI-UHFFFAOYSA-N 0 0 258.296 3.510 10 0 CHAERN CCNc1nc(-c2cccc(Cl)c2)nc2c1CCC2 ZINC000050847861 520352320 /nfs/dbraw/zinc/35/23/20/520352320.db2.gz LTOKLYVTNMTVPJ-UHFFFAOYSA-N 0 0 273.767 3.718 10 0 CHAERN CCCOc1ccc([C@H](CC)C(=O)OCC)cc1 ZINC000055262125 520428347 /nfs/dbraw/zinc/42/83/47/520428347.db2.gz HHYPEXRTKHFZDT-AWEZNQCLSA-N 0 0 250.338 3.532 10 0 CHAERN CCCCN(CC)c1cc(Cl)ccc1C(N)=S ZINC000062787941 520481860 /nfs/dbraw/zinc/48/18/60/520481860.db2.gz SRWOAIPSUWLABW-UHFFFAOYSA-N 0 0 270.829 3.601 10 0 CHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1 ZINC000041174443 520511264 /nfs/dbraw/zinc/51/12/64/520511264.db2.gz SXWOPMQQVOUJJH-QGZVFWFLSA-N 0 0 295.382 3.679 10 0 CHAERN CC1(C)C[C@@H](NCc2ccco2)c2ccccc2O1 ZINC000126885988 520524377 /nfs/dbraw/zinc/52/43/77/520524377.db2.gz PJESHDNMGALVRG-CQSZACIVSA-N 0 0 257.333 3.672 10 0 CHAERN CCN(CC)C(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000052684469 520534697 /nfs/dbraw/zinc/53/46/97/520534697.db2.gz KELNKRQOVKCYEC-VIFPVBQESA-N 0 0 289.206 3.662 10 0 CHAERN CCCCN(c1nc(C)c(C=O)s1)[C@H](C)CC ZINC000054966973 520551784 /nfs/dbraw/zinc/55/17/84/520551784.db2.gz ABTXNNDPHJIOGW-SNVBAGLBSA-N 0 0 254.399 3.669 10 0 CHAERN CCCSCc1nc2sc(C)c(C)c2c(NC)n1 ZINC000050833753 520566827 /nfs/dbraw/zinc/56/68/27/520566827.db2.gz UJPFBDMSDXMEQE-UHFFFAOYSA-N 0 0 281.450 3.993 10 0 CHAERN CCOc1cc(C)ccc1N[C@H](C)c1cn(C)nc1C ZINC000087409055 520688775 /nfs/dbraw/zinc/68/87/75/520688775.db2.gz JQYHUVNRBCZCMN-GFCCVEGCSA-N 0 0 273.380 3.609 10 0 CHAERN CCOc1ccc(N[C@@H](C)c2cn(C)nc2C)c(C)c1 ZINC000087409110 521137153 /nfs/dbraw/zinc/13/71/53/521137153.db2.gz PVVZBYSJRUACBE-LBPRGKRZSA-N 0 0 273.380 3.609 10 0 CHAERN CCOc1ccc(N[C@H](C)c2cn(C)nc2C)c(C)c1 ZINC000087409112 521137544 /nfs/dbraw/zinc/13/75/44/521137544.db2.gz PVVZBYSJRUACBE-GFCCVEGCSA-N 0 0 273.380 3.609 10 0 CHAERN CCOc1ccc(Oc2ccc(CO)cc2C)cc1 ZINC000050561584 521183268 /nfs/dbraw/zinc/18/32/68/521183268.db2.gz YCIYESAMBYIQTB-UHFFFAOYSA-N 0 0 258.317 3.678 10 0 CHAERN CCCCc1cc2ncoc2c(Br)c1 ZINC000062536900 521262613 /nfs/dbraw/zinc/26/26/13/521262613.db2.gz NPHJPZHUHIFHKG-UHFFFAOYSA-N 0 0 254.127 3.933 10 0 CHAERN CCN(Cc1cccs1)[C@H](C)C(=O)c1ccccc1 ZINC000049537688 521409872 /nfs/dbraw/zinc/40/98/72/521409872.db2.gz COPJPNBEHYKJRA-CYBMUJFWSA-N 0 0 273.401 3.841 10 0 CHAERN CCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)s1 ZINC000062707178 521464358 /nfs/dbraw/zinc/46/43/58/521464358.db2.gz VWXLOOQKHOZFNZ-UHFFFAOYSA-N 0 0 272.295 3.762 10 0 CHAERN CCN(c1ccc(F)cc1)c1ccc(CO)c(C)c1 ZINC000050583501 521489156 /nfs/dbraw/zinc/48/91/56/521489156.db2.gz FCQBGENZWXKZPV-UHFFFAOYSA-N 0 0 259.324 3.784 10 0 CHAERN CCOc1ccccc1[C@@](O)(CC)c1ccccc1 ZINC000055239847 521581061 /nfs/dbraw/zinc/58/10/61/521581061.db2.gz FUCQXMRHVDUEDV-QGZVFWFLSA-N 0 0 256.345 3.731 10 0 CHAERN CCOc1ccccc1[C@H](O)c1ccc(C)c(F)c1 ZINC000055240222 521590443 /nfs/dbraw/zinc/59/04/43/521590443.db2.gz BOTRXPUTXOHJNR-MRXNPFEDSA-N 0 0 260.308 3.615 10 0 CHAERN CCOc1nc(Cl)nc(S[C@H]2CCC[C@H](C)C2)n1 ZINC000061517656 521605739 /nfs/dbraw/zinc/60/57/39/521605739.db2.gz YZJZHKQLADWZGA-IUCAKERBSA-N 0 0 287.816 3.595 10 0 CHAERN CCCN(CCNc1ccccc1C)CC(F)(F)F ZINC000053390586 521661429 /nfs/dbraw/zinc/66/14/29/521661429.db2.gz SJHPGVUBDKJTBP-UHFFFAOYSA-N 0 0 274.330 3.681 10 0 CHAERN CCc1cccc(OCc2nc(C)cc(Cl)n2)c1 ZINC000058043429 521783151 /nfs/dbraw/zinc/78/31/51/521783151.db2.gz GXDBABXOBYAUHV-UHFFFAOYSA-N 0 0 262.740 3.580 10 0 CHAERN COc1c(C)ccc(N[C@H](C)c2cn(C)nc2C)c1C ZINC000087408536 521804593 /nfs/dbraw/zinc/80/45/93/521804593.db2.gz MXGJRAHPTRSMTJ-GFCCVEGCSA-N 0 0 273.380 3.527 10 0 CHAERN CCc1ccccc1OCc1nc(NC)ccc1Cl ZINC000061640442 521922134 /nfs/dbraw/zinc/92/21/34/521922134.db2.gz WRSWJAKOWQFXLJ-UHFFFAOYSA-N 0 0 276.767 3.918 10 0 CHAERN CC[C@@H](C)CNc1ccc(C(F)(F)F)cc1C(N)=S ZINC000054474720 522000568 /nfs/dbraw/zinc/00/05/68/522000568.db2.gz QKIKLRSQRBYIJF-MRVPVSSYSA-N 0 0 290.354 3.798 10 0 CHAERN CC[C@@H](C)N(CC)c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967262 522086147 /nfs/dbraw/zinc/08/61/47/522086147.db2.gz BCEXMEWHDDRWJT-SNVBAGLBSA-N 0 0 268.426 3.878 10 0 CHAERN COC[C@@H](C)C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000103372845 522168051 /nfs/dbraw/zinc/16/80/51/522168051.db2.gz UEGLDOPCJOBFER-VXGBXAGGSA-N 0 0 295.810 3.675 10 0 CHAERN CCc1nc(N(Cc2cccs2)C(C)C)sc1C=O ZINC000054967731 522384211 /nfs/dbraw/zinc/38/42/11/522384211.db2.gz UIVVBJIUATVGMR-UHFFFAOYSA-N 0 0 294.445 3.995 10 0 CHAERN CC[C@@H](C)c1ccccc1Oc1cccc(CO)n1 ZINC000051042845 522439961 /nfs/dbraw/zinc/43/99/61/522439961.db2.gz GOICYZXTXHASAL-GFCCVEGCSA-N 0 0 257.333 3.880 10 0 CHAERN CC[C@@H](CC(=O)N1CCCC1(C)C)c1ccccc1 ZINC000103435470 522468478 /nfs/dbraw/zinc/46/84/78/522468478.db2.gz FYDIDEKVBMPAOI-AWEZNQCLSA-N 0 0 259.393 3.971 10 0 CHAERN CCc1nc2cc(N)ccc2n1-c1cccc(Cl)c1 ZINC000052842752 522488145 /nfs/dbraw/zinc/48/81/45/522488145.db2.gz GSPRZPLVFYOWFV-UHFFFAOYSA-N 0 0 271.751 3.824 10 0 CHAERN COc1cc(Cl)c(C)cc1N[C@@H](C)c1cn(C)nc1C ZINC000087406427 522520701 /nfs/dbraw/zinc/52/07/01/522520701.db2.gz GFVOCUIKWGPOLQ-JTQLQIEISA-N 0 0 293.798 3.872 10 0 CHAERN CC[C@H](NC(=O)c1cccc(Cl)n1)c1cccs1 ZINC000051074144 522541123 /nfs/dbraw/zinc/54/11/23/522541123.db2.gz XLMFHUHVCZDMNK-VIFPVBQESA-N 0 0 280.780 3.678 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(F)ccc(F)c12 ZINC000050869825 522565604 /nfs/dbraw/zinc/56/56/04/522565604.db2.gz HKJQTZKNUASXMN-UHFFFAOYSA-N 0 0 262.181 3.574 10 0 CHAERN COc1cc(F)cc2c(Cl)c3c(nc12)CCCC3 ZINC000049570216 522598830 /nfs/dbraw/zinc/59/88/30/522598830.db2.gz CADUYLXOFDVQJW-UHFFFAOYSA-N 0 0 265.715 3.915 10 0 CHAERN CNc1ccc(COc2ccc(C)cc2Cl)cn1 ZINC000054352601 522612673 /nfs/dbraw/zinc/61/26/73/522612673.db2.gz QBHYYLAZASXBOJ-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000050771093 522626803 /nfs/dbraw/zinc/62/68/03/522626803.db2.gz FYNGOGWVKCQBTM-WDEREUQCSA-N 0 0 280.799 3.642 10 0 CHAERN CNc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)n1 ZINC000051068291 522653798 /nfs/dbraw/zinc/65/37/98/522653798.db2.gz DTYHCFWKFQVQTH-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN COc1cc(NC(=O)N[C@H](C)c2ccc(C)o2)ccc1F ZINC000187091216 522700179 /nfs/dbraw/zinc/70/01/79/522700179.db2.gz QQBJKQRAGPJYMF-SNVBAGLBSA-N 0 0 292.310 3.618 10 0 CHAERN CC[C@H](Nc1ccccc1C(N)=S)c1cccs1 ZINC000049532316 522775098 /nfs/dbraw/zinc/77/50/98/522775098.db2.gz JKUQKJAAOWSJGV-NSHDSACASA-N 0 0 276.430 3.946 10 0 CHAERN CC[C@@H](Nc1ccccc1C(N)=S)c1cccs1 ZINC000049532317 522964324 /nfs/dbraw/zinc/96/43/24/522964324.db2.gz JKUQKJAAOWSJGV-LLVKDONJSA-N 0 0 276.430 3.946 10 0 CHAERN COCCCC(=O)C1(c2ccccc2)CCCCC1 ZINC000062782552 523073592 /nfs/dbraw/zinc/07/35/92/523073592.db2.gz SRCJZHLTSTXIEE-UHFFFAOYSA-N 0 0 260.377 3.884 10 0 CHAERN CC[C@](O)(c1ccccc1)c1ccc(F)c(F)c1F ZINC000061837852 523530981 /nfs/dbraw/zinc/53/09/81/523530981.db2.gz LPDVKTNGCJEUGN-HNNXBMFYSA-N 0 0 266.262 3.750 10 0 CHAERN CN(c1ccccc1F)c1c(F)cc(C=O)cc1F ZINC000062708119 523656281 /nfs/dbraw/zinc/65/62/81/523656281.db2.gz ZFDDFYROYDTWJF-UHFFFAOYSA-N 0 0 265.234 3.684 10 0 CHAERN CCc1c(C)nc(-c2csc3ccccc32)[nH]c1=O ZINC000054462831 523710023 /nfs/dbraw/zinc/71/00/23/523710023.db2.gz VBEXYDMSTHQPKI-UHFFFAOYSA-N 0 0 270.357 3.522 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334632441 534732860 /nfs/dbraw/zinc/73/28/60/534732860.db2.gz OUIJGRXHWNINSM-PWSUYJOCSA-N 0 0 264.756 3.665 10 0 CHAERN COc1ccc(C)cc1[C@@](C)(O)c1cccc(Cl)c1 ZINC000055261364 523855373 /nfs/dbraw/zinc/85/53/73/523855373.db2.gz OOVOVBXPQCNTPC-INIZCTEOSA-N 0 0 276.763 3.913 10 0 CHAERN Cc1cccc(NC(=O)N2C[C@H]3CCC[C@H]32)c1Cl ZINC000336063264 534744127 /nfs/dbraw/zinc/74/41/27/534744127.db2.gz AYQDSQNUEPMHFB-ZYHUDNBSSA-N 0 0 264.756 3.665 10 0 CHAERN COc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1 ZINC000055199848 523912678 /nfs/dbraw/zinc/91/26/78/523912678.db2.gz ALJZFZUIDKFAON-UHFFFAOYSA-N 0 0 258.292 3.568 10 0 CHAERN Cc1ccc(C)c(N(C)C(=O)[C@H]2C[C@H]2c2ccco2)c1 ZINC000049374750 524116108 /nfs/dbraw/zinc/11/61/08/524116108.db2.gz JKMVCEPLEZLWFS-KGLIPLIRSA-N 0 0 269.344 3.663 10 0 CHAERN Cc1cccc(-n2nc(C(F)F)c(C=O)c2Cl)c1 ZINC000061628950 524146468 /nfs/dbraw/zinc/14/64/68/524146468.db2.gz CZTIECZOUVRODW-UHFFFAOYSA-N 0 0 270.666 3.584 10 0 CHAERN C[C@H]1CCC[C@@H](SCC(=O)c2cccn2C)C1 ZINC000054692783 524153567 /nfs/dbraw/zinc/15/35/67/524153567.db2.gz UVJBYBBMYHYSRF-NWDGAFQWSA-N 0 0 251.395 3.520 10 0 CHAERN COc1ccc(C[C@H](O)c2ccc(C)c(Cl)c2)cc1 ZINC000063022656 524155810 /nfs/dbraw/zinc/15/58/10/524155810.db2.gz FWQIYUJAUQPDJI-INIZCTEOSA-N 0 0 276.763 3.933 10 0 CHAERN COc1ccc(Cl)c2[nH]c(C)c(C(C)C)c(=O)c12 ZINC000061688221 524189481 /nfs/dbraw/zinc/18/94/81/524189481.db2.gz MQCMQEPIVCHMRU-UHFFFAOYSA-N 0 0 265.740 3.622 10 0 CHAERN Cc1ccc(C)c(SC[C@@H](O)c2ccc(N)cc2)c1 ZINC000051325566 524201036 /nfs/dbraw/zinc/20/10/36/524201036.db2.gz JOOJNGPAJZNBLW-OAHLLOKOSA-N 0 0 273.401 3.711 10 0 CHAERN Cc1ccc(C)c([C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000055238237 524208248 /nfs/dbraw/zinc/20/82/48/524208248.db2.gz JKIKQNUJEBXIHX-INIZCTEOSA-N 0 0 262.299 3.837 10 0 CHAERN Cc1ccc(CCC(=O)Nc2cc(C)c(C)cc2N)cc1 ZINC000052945767 524303234 /nfs/dbraw/zinc/30/32/34/524303234.db2.gz MOIDPXANYPKKDN-UHFFFAOYSA-N 0 0 282.387 3.765 10 0 CHAERN Cc1cc(C)c(OCCC(C)(C)C(N)=S)c(C)c1 ZINC000057901675 524309655 /nfs/dbraw/zinc/30/96/55/524309655.db2.gz UEDGFZRBFHTXTL-UHFFFAOYSA-N 0 0 265.422 3.693 10 0 CHAERN C[C@@H]1CCC[C@@H](SCc2nc3cc(N)ccc3[nH]2)C1 ZINC000054689619 524320744 /nfs/dbraw/zinc/32/07/44/524320744.db2.gz QZSQQBPWYSWIFU-ZYHUDNBSSA-N 0 0 275.421 3.957 10 0 CHAERN C[C@@H](C1CC1)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852677 524325719 /nfs/dbraw/zinc/32/57/19/524325719.db2.gz IGHKNUDYNQBLJH-ZETCQYMHSA-N 0 0 269.270 3.608 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N2CCCC3(C2)CCCCCC3)O1 ZINC000157981348 524331422 /nfs/dbraw/zinc/33/14/22/524331422.db2.gz QQSGFHHMQZKZHW-GJZGRUSLSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)Cc2ccccc2O)c2ccccc21 ZINC000124876530 524365280 /nfs/dbraw/zinc/36/52/80/524365280.db2.gz QNYBODAQUXRXGJ-SUMWQHHRSA-N 0 0 295.382 3.690 10 0 CHAERN Cc1cc(C)cc(N(C)c2ccc(CO)c(C)c2)c1 ZINC000050583467 524404831 /nfs/dbraw/zinc/40/48/31/524404831.db2.gz MQWQMRSQGLBGCQ-UHFFFAOYSA-N 0 0 255.361 3.872 10 0 CHAERN Cc1ccc(CN2CCNc3ccccc32)cc1C ZINC000049668824 524465591 /nfs/dbraw/zinc/46/55/91/524465591.db2.gz CELMIGRSUCWIQS-UHFFFAOYSA-N 0 0 252.361 3.736 10 0 CHAERN Cc1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000156981656 524695553 /nfs/dbraw/zinc/69/55/53/524695553.db2.gz RYUYABDHZKVENL-WDEREUQCSA-N 0 0 258.287 3.923 10 0 CHAERN Cc1cc(CO)ccc1N1c2ccccc2C[C@H]1C ZINC000050560592 524793670 /nfs/dbraw/zinc/79/36/70/524793670.db2.gz ZUCKTLHBLJGDGE-CYBMUJFWSA-N 0 0 253.345 3.570 10 0 CHAERN Cc1ccc(F)cc1[C@@H](O)c1ccc2c(c1)CCC2 ZINC000062666084 524874709 /nfs/dbraw/zinc/87/47/09/524874709.db2.gz QKJBQKYLHHZHCY-KRWDZBQOSA-N 0 0 256.320 3.705 10 0 CHAERN Cc1cc(Cl)ccc1-c1ccc(C[C@H](C)O)o1 ZINC000062771348 524879765 /nfs/dbraw/zinc/87/97/65/524879765.db2.gz QEXBDCPPYCMIKS-JTQLQIEISA-N 0 0 250.725 3.832 10 0 CHAERN NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000329899607 534835015 /nfs/dbraw/zinc/83/50/15/534835015.db2.gz FPXPKWRVZSFFKO-APIJFGDWSA-N 0 0 292.423 3.509 10 0 CHAERN C[C@](O)(Cc1ccc(F)cc1F)c1cccc(F)c1 ZINC000050885499 525185271 /nfs/dbraw/zinc/18/52/71/525185271.db2.gz OSWAHLWRLWWVSH-HNNXBMFYSA-N 0 0 266.262 3.554 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)ccc1C(F)(F)F ZINC000157788660 525220087 /nfs/dbraw/zinc/22/00/87/525220087.db2.gz NMXIPAJIPUDHIP-CABZTGNLSA-N 0 0 287.281 3.520 10 0 CHAERN Cc1cc(NCCC2CCCCC2)nc(Cl)n1 ZINC000052814447 525266245 /nfs/dbraw/zinc/26/62/45/525266245.db2.gz UTOJEBDYWMQHKE-UHFFFAOYSA-N 0 0 253.777 3.821 10 0 CHAERN Cc1cc(Nc2ccccc2OC(F)F)nc(Cl)n1 ZINC000052814089 525306930 /nfs/dbraw/zinc/30/69/30/525306930.db2.gz WDVZIFJWJAWFMT-UHFFFAOYSA-N 0 0 285.681 3.783 10 0 CHAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151689243 525479272 /nfs/dbraw/zinc/47/92/72/525479272.db2.gz YZCZMXUUPKECLU-BPLDGKMQSA-N 0 0 285.387 3.595 10 0 CHAERN Cc1cc([C@H](NC(C)C)c2nccs2)ccc1F ZINC000050559449 525537294 /nfs/dbraw/zinc/53/72/94/525537294.db2.gz FWEYYQKNPOXAJJ-ZDUSSCGKSA-N 0 0 264.369 3.678 10 0 CHAERN Cc1cc2c(N[C@@H]3CCC[C@H](C(F)(F)F)C3)nccn2n1 ZINC000274685019 525587173 /nfs/dbraw/zinc/58/71/73/525587173.db2.gz OSAQHYHYYWMXIK-WDEREUQCSA-N 0 0 298.312 3.571 10 0 CHAERN C[C@@H]1[C@@H](C)CCCN1c1n[nH]c(=S)n1C1CCCC1 ZINC000050566336 525643814 /nfs/dbraw/zinc/64/38/14/525643814.db2.gz CBUJSQOZUZIGRL-WDEREUQCSA-N 0 0 280.441 3.681 10 0 CHAERN CSC[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127386844 525665860 /nfs/dbraw/zinc/66/58/60/525665860.db2.gz QVGHEUWBVKKLHD-WCQYABFASA-N 0 0 281.421 3.641 10 0 CHAERN Cc1ccc(Sc2ncnc3ccccc32)cc1N ZINC000061702106 525675750 /nfs/dbraw/zinc/67/57/50/525675750.db2.gz MWTPBHDUOYUTOC-UHFFFAOYSA-N 0 0 267.357 3.672 10 0 CHAERN C[C@@H](Nc1cccc(-n2cnnc2)c1)c1ccsc1 ZINC000050341498 525715599 /nfs/dbraw/zinc/71/55/99/525715599.db2.gz MYUCKIWJKNJOJM-LLVKDONJSA-N 0 0 270.361 3.502 10 0 CHAERN CS[C@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128795699 525868453 /nfs/dbraw/zinc/86/84/53/525868453.db2.gz ZRKLRXZVBOWSHC-DGCLKSJQSA-N 0 0 293.432 3.547 10 0 CHAERN C[C@@H](O)c1ccccc1N(C)[C@@H](C)c1cccs1 ZINC000049727706 525871038 /nfs/dbraw/zinc/87/10/38/525871038.db2.gz HPZAVAZOKVVBJG-NWDGAFQWSA-N 0 0 261.390 3.999 10 0 CHAERN C[C@H](O)c1nc2ccccc2n1CCC1CCCC1 ZINC000189821512 525875582 /nfs/dbraw/zinc/87/55/82/525875582.db2.gz KGNOGWGSVOGMAR-LBPRGKRZSA-N 0 0 258.365 3.670 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2C2CCC2)o1 ZINC000102902029 525895148 /nfs/dbraw/zinc/89/51/48/525895148.db2.gz XLWZVGJMRSZVBV-JSGCOSHPSA-N 0 0 276.380 3.623 10 0 CHAERN Cc1ccc([C@H](O)Cc2c(Cl)cccc2Cl)cn1 ZINC000062949632 525977713 /nfs/dbraw/zinc/97/77/13/525977713.db2.gz LTHTVDJYBWTWCU-CQSZACIVSA-N 0 0 282.170 3.973 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2c(C)noc2C)o1 ZINC000127451898 525994049 /nfs/dbraw/zinc/99/40/49/525994049.db2.gz BJLMQUHATDEUTQ-CYBMUJFWSA-N 0 0 288.347 3.560 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000127573230 525996317 /nfs/dbraw/zinc/99/63/17/525996317.db2.gz ZZBLGKNIVWORMP-GFCCVEGCSA-N 0 0 290.388 3.720 10 0 CHAERN Cc1ccc(C(=O)COc2cc(F)cc(F)c2)cc1 ZINC000054933364 526049180 /nfs/dbraw/zinc/04/91/80/526049180.db2.gz SBTMFUHGPCDRBI-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN COc1cccc(C[C@H](O)c2cccc(C)c2C)c1 ZINC000053329088 526081597 /nfs/dbraw/zinc/08/15/97/526081597.db2.gz FDHWRLVKIYBPCK-KRWDZBQOSA-N 0 0 256.345 3.588 10 0 CHAERN CSc1cccc(N[C@@H](C)c2cn(C)nc2C)c1 ZINC000087406389 526141114 /nfs/dbraw/zinc/14/11/14/526141114.db2.gz QQWKSUKJPXRSPL-JTQLQIEISA-N 0 0 261.394 3.624 10 0 CHAERN C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755168 526261458 /nfs/dbraw/zinc/26/14/58/526261458.db2.gz JAGJVTYIHOMUBT-BYNSBNAKSA-N 0 0 267.413 3.530 10 0 CHAERN O[C@H](Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000054445936 526296886 /nfs/dbraw/zinc/29/68/86/526296886.db2.gz YTANGBAHLQQWCV-LLVKDONJSA-N 0 0 256.223 3.575 10 0 CHAERN O[C@H](Cc1ccccc1F)c1cc2c(s1)CCC2 ZINC000062141809 526298211 /nfs/dbraw/zinc/29/82/11/526298211.db2.gz VBAQUYPUGKWCOD-CYBMUJFWSA-N 0 0 262.349 3.652 10 0 CHAERN O[C@H](c1ccc(Cl)s1)c1c(F)cc(F)cc1F ZINC000051172867 526299790 /nfs/dbraw/zinc/29/97/90/526299790.db2.gz ADFSMQDQCRBABV-LLVKDONJSA-N 0 0 278.682 3.901 10 0 CHAERN O[C@H](c1cc(F)cc(F)c1)C1(c2ccccc2)CC1 ZINC000062780631 526299597 /nfs/dbraw/zinc/29/95/97/526299597.db2.gz JWPSHLXAGYKGMD-OAHLLOKOSA-N 0 0 260.283 3.730 10 0 CHAERN Fc1ccc(C(F)(F)F)cc1NC1N=NC(=S)S1 ZINC000062657356 526327004 /nfs/dbraw/zinc/32/70/04/526327004.db2.gz YEOWQYLGTSJMOM-UHFFFAOYSA-N 0 0 295.286 3.728 10 0 CHAERN S=c1[nH]c2ccccc2n1CCc1nc2ccccc2[nH]1 ZINC000057326613 526387492 /nfs/dbraw/zinc/38/74/92/526387492.db2.gz DLFICZFYKNICGN-UHFFFAOYSA-N 0 0 294.383 3.818 10 0 CHAERN c1ccc2c(c1)SCc1sc(NC3CC3)nc1-2 ZINC000061714545 526512869 /nfs/dbraw/zinc/51/28/69/526512869.db2.gz MHCZARLFTISZSB-UHFFFAOYSA-N 0 0 260.387 3.990 10 0 CHAERN c1coc([C@H]2CCCN2c2noc(-c3ccccc3)n2)c1 ZINC000157595460 526571032 /nfs/dbraw/zinc/57/10/32/526571032.db2.gz YVCIVPNCPUWMHT-CYBMUJFWSA-N 0 0 281.315 3.671 10 0 CHAERN c1csc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000127730679 526578882 /nfs/dbraw/zinc/57/88/82/526578882.db2.gz ACILPCOLPTXHDB-GFCCVEGCSA-N 0 0 264.419 3.932 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CC[C@H]2CCCC[C@H]21 ZINC000111249007 526732228 /nfs/dbraw/zinc/73/22/28/526732228.db2.gz NAUQVYICGIBMET-CZUORRHYSA-N 0 0 268.360 3.573 10 0 CHAERN Cc1nc(C)c([C@H](C)n2c(C)cc(C=O)c2C)s1 ZINC000049533863 526756672 /nfs/dbraw/zinc/75/66/72/526756672.db2.gz KPHZFPOMDPEKIJ-NSHDSACASA-N 0 0 262.378 3.600 10 0 CHAERN Cc1sc(-c2nc[nH]n2)nc1-c1cccc(Cl)c1 ZINC000061844287 526864549 /nfs/dbraw/zinc/86/45/49/526864549.db2.gz IQLFEGCVDZLPLO-UHFFFAOYSA-N 0 0 276.752 3.557 10 0 CHAERN Cc1nc(C[C@H](O)c2ccc3ccccc3c2)cs1 ZINC000055294319 526921301 /nfs/dbraw/zinc/92/13/01/526921301.db2.gz PDCFXJAYYMOPQT-INIZCTEOSA-N 0 0 269.369 3.881 10 0 CHAERN Cc1nc(Cl)cc(N[C@@H](C)c2ccc(F)cc2)n1 ZINC000052836775 526934461 /nfs/dbraw/zinc/93/44/61/526934461.db2.gz RJZASARIJSMAFP-QMMMGPOBSA-N 0 0 265.719 3.751 10 0 CHAERN Cc1nc(N(C)[C@@H](C)c2cccs2)sc1[C@@H](C)O ZINC000054927887 526952367 /nfs/dbraw/zinc/95/23/67/526952367.db2.gz CGNWSDICPSIKLO-VHSXEESVSA-N 0 0 282.434 3.764 10 0 CHAERN O=C1CCCCN1c1cc(Br)ccc1Cl ZINC000061693142 526972223 /nfs/dbraw/zinc/97/22/23/526972223.db2.gz OZGLBNIBLYDZNK-UHFFFAOYSA-N 0 0 288.572 3.619 10 0 CHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccoc1 ZINC000151740956 527016714 /nfs/dbraw/zinc/01/67/14/527016714.db2.gz CZDKOTVBGCBVOX-HNNXBMFYSA-N 0 0 297.354 3.846 10 0 CHAERN NC(=S)c1c(Cl)cccc1NC1CCCCC1 ZINC000052903690 527113402 /nfs/dbraw/zinc/11/34/02/527113402.db2.gz MGHFBHXRAIBNNL-UHFFFAOYSA-N 0 0 268.813 3.719 10 0 CHAERN NC(=S)c1cc(Cl)ccc1NC1CCCCC1 ZINC000052857194 527113900 /nfs/dbraw/zinc/11/39/00/527113900.db2.gz DMEHKXBKQSGLOF-UHFFFAOYSA-N 0 0 268.813 3.719 10 0 CHAERN NC(=S)c1ccc(NCc2cccc(Cl)c2)cc1 ZINC000053158393 527120261 /nfs/dbraw/zinc/12/02/61/527120261.db2.gz OSSOZFKBYGQTGT-UHFFFAOYSA-N 0 0 276.792 3.586 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000052852013 527122413 /nfs/dbraw/zinc/12/24/13/527122413.db2.gz ZRBVSQLFYDZRLI-UHFFFAOYSA-N 0 0 291.276 3.935 10 0 CHAERN O=C(Cc1cccs1)Cc1ccccc1Cl ZINC000052900108 527300666 /nfs/dbraw/zinc/30/06/66/527300666.db2.gz LUCKMKXFKUERFZ-UHFFFAOYSA-N 0 0 250.750 3.756 10 0 CHAERN Cn1cccc1CNc1c2ncsc2ccc1Cl ZINC000050595249 527398577 /nfs/dbraw/zinc/39/85/77/527398577.db2.gz RPUJRFDOYUFLDH-UHFFFAOYSA-N 0 0 277.780 3.900 10 0 CHAERN Nc1n[nH]c(-c2ccoc2)c1-c1ccc(F)cc1Cl ZINC000062609438 527421807 /nfs/dbraw/zinc/42/18/07/527421807.db2.gz FJFIPOXBGCHART-UHFFFAOYSA-N 0 0 277.686 3.711 10 0 CHAERN Cc1nccn1CCNc1cc(Cl)ccc1Cl ZINC000049329705 527433449 /nfs/dbraw/zinc/43/34/49/527433449.db2.gz YMWMHKPKKSNQGM-UHFFFAOYSA-N 0 0 270.163 3.610 10 0 CHAERN Nc1c2ncsc2ccc1OCCc1cccs1 ZINC000049584570 527437720 /nfs/dbraw/zinc/43/77/20/527437720.db2.gz MYJYHICPOGNQAV-UHFFFAOYSA-N 0 0 276.386 3.562 10 0 CHAERN Nc1c2ncsc2ccc1OCC1CCCCC1 ZINC000052146284 527437974 /nfs/dbraw/zinc/43/79/74/527437974.db2.gz IZFJQXMFHDWIRD-UHFFFAOYSA-N 0 0 262.378 3.838 10 0 CHAERN Nc1cc(COCCc2cccs2)ccc1Cl ZINC000049585029 527450885 /nfs/dbraw/zinc/45/08/85/527450885.db2.gz SAZUUGWJJVYVAF-UHFFFAOYSA-N 0 0 267.781 3.743 10 0 CHAERN Nc1ccc(Oc2ncnc3ccccc32)cc1Cl ZINC000050471501 527497658 /nfs/dbraw/zinc/49/76/58/527497658.db2.gz BEMOKHQOVKZJCX-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN Nc1nc(-c2c[nH]c3cccc(Br)c32)cs1 ZINC000062424636 527539749 /nfs/dbraw/zinc/53/97/49/527539749.db2.gz ZRWVZSXKYKGCHS-UHFFFAOYSA-N 0 0 294.177 3.636 10 0 CHAERN Nc1sc(C2CC2)nc1-c1cc2c(c(Cl)c1)OCO2 ZINC000050309128 527581532 /nfs/dbraw/zinc/58/15/32/527581532.db2.gz MBVSSOYCFJUGMC-UHFFFAOYSA-N 0 0 294.763 3.652 10 0 CHAERN O[C@@H](Cc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049348432 527664451 /nfs/dbraw/zinc/66/44/51/527664451.db2.gz IBQIWYMELZNGJK-AWEZNQCLSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H](Cc1ccccn1)Cc1ccc(Cl)cc1Cl ZINC000053784042 527665100 /nfs/dbraw/zinc/66/51/00/527665100.db2.gz NQUOMDILTAILCH-CYBMUJFWSA-N 0 0 282.170 3.535 10 0 CHAERN FC(F)(F)c1ccnc(N[C@H]2CCc3ccccc32)n1 ZINC000043533791 527688254 /nfs/dbraw/zinc/68/82/54/527688254.db2.gz LKUYEGQLKJFPQE-NSHDSACASA-N 0 0 279.265 3.595 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000087406548 527700140 /nfs/dbraw/zinc/70/01/40/527700140.db2.gz XGXKEYSTFOSTSK-VIFPVBQESA-N 0 0 299.296 3.800 10 0 CHAERN CC1(Cc2noc(-c3noc4c3CCCC4)n2)CCCC1 ZINC000329683359 528008192 /nfs/dbraw/zinc/00/81/92/528008192.db2.gz SYPBXCBBCJHAGQ-UHFFFAOYSA-N 0 0 287.363 3.726 10 0 CHAERN COC(=O)c1cc(CSCC[Si](C)(C)C)oc1C ZINC000725244990 567908193 /nfs/dbraw/zinc/90/81/93/567908193.db2.gz CLGBGMMLDUTJMH-UHFFFAOYSA-N 0 0 286.469 3.946 10 0 CHAERN Cc1cccc(/C=C/Br)c1OC(F)F ZINC000685964835 570407428 /nfs/dbraw/zinc/40/74/28/570407428.db2.gz VQBCCUMMCXNLHS-AATRIKPKSA-N 0 0 263.081 3.962 10 0 CHAERN CC(C)c1nn2c(c1Br)NC[C@H]1CCC[C@H]12 ZINC000232804239 570411074 /nfs/dbraw/zinc/41/10/74/570411074.db2.gz LUCSBDGVTFUGOK-RKDXNWHRSA-N 0 0 284.201 3.536 10 0 CHAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC(=O)O2 ZINC000004428378 560198350 /nfs/dbraw/zinc/19/83/50/560198350.db2.gz FWJIMKYKNBCAJA-CBZIJGRNSA-N 0 0 286.371 3.544 10 0 in-vitro CHAERN Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1C=C2 ZINC000004416529 560198380 /nfs/dbraw/zinc/19/83/80/560198380.db2.gz WCHXTGUTQVBYIP-QSUVVDIXSA-N 0 0 284.399 3.998 10 0 in-vitro CHAERN C[C@@H]1CC[C@@H](C)[C@H](n2cnc(Br)c2)C1 ZINC000669374283 566848983 /nfs/dbraw/zinc/84/89/83/566848983.db2.gz DTWCISUVEUILDN-OPRDCNLKSA-N 0 0 257.175 3.643 10 0 CHAERN C[C@H]1C(=O)CC[C@H]1Sc1ccccc1Br ZINC000083000438 566962429 /nfs/dbraw/zinc/96/24/29/566962429.db2.gz JTMPGQGPBHAXQN-GZMMTYOYSA-N 0 0 285.206 3.909 10 0 CHAERN COc1ccccc1C1=NNC(c2ccccc2)=CS1 ZINC000048554784 567091059 /nfs/dbraw/zinc/09/10/59/567091059.db2.gz BBJRGXMHPAJXLU-UHFFFAOYSA-N 0 0 282.368 3.692 10 0 CHAERN Cc1ccc(NC(=O)CCc2cccc(F)c2)cc1 ZINC000010404694 567861535 /nfs/dbraw/zinc/86/15/35/567861535.db2.gz KHHMCGQQEICWQV-UHFFFAOYSA-N 0 0 257.308 3.705 10 0 CHAERN Clc1ccc(-c2ccc(Br)s2)nn1 ZINC000038002328 567890453 /nfs/dbraw/zinc/89/04/53/567890453.db2.gz AWZDLHYLGRBAEE-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN CCCOc1ccccc1CNCc1nc2ccccc2[nH]1 ZINC000057353415 567894940 /nfs/dbraw/zinc/89/49/40/567894940.db2.gz OVQPPRHRCUDCRG-UHFFFAOYSA-N 0 0 295.386 3.642 10 0 CHAERN Clc1cc(Cc2cccs2)nc(C2CC2)n1 ZINC000409430177 567899718 /nfs/dbraw/zinc/89/97/18/567899718.db2.gz LRVFOMSFWYBWOK-UHFFFAOYSA-N 0 0 250.754 3.660 10 0 CHAERN Fc1cc2c(Cl)ccnc2cc1Br ZINC000215509053 567908214 /nfs/dbraw/zinc/90/82/14/567908214.db2.gz DLAIAXCCQGNMEN-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN COC(=O)c1ccc(CSCC[Si](C)(C)C)o1 ZINC000725246627 567908478 /nfs/dbraw/zinc/90/84/78/567908478.db2.gz ZWTBEVNZZJZXHD-UHFFFAOYSA-N 0 0 272.442 3.638 10 0 CHAERN c1ncn(Cc2ccccc2SCc2ccccc2)n1 ZINC000095218330 567909203 /nfs/dbraw/zinc/90/92/03/567909203.db2.gz SWMFERLRKGHXGL-UHFFFAOYSA-N 0 0 281.384 3.619 10 0 CHAERN Fc1c2snc(Cl)c2ccc1Br ZINC000725254026 567912732 /nfs/dbraw/zinc/91/27/32/567912732.db2.gz BFRRTZONWOHVGY-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 ZINC000103273997 567915533 /nfs/dbraw/zinc/91/55/33/567915533.db2.gz XHCQXIKVYLJZLB-AWEZNQCLSA-N 0 0 291.391 3.953 10 0 CHAERN CC(C)(C)OC(=O)Nc1c(CO)ccc2ccccc21 ZINC000725262399 567922262 /nfs/dbraw/zinc/92/22/62/567922262.db2.gz CYFCQZMIUQQWBM-UHFFFAOYSA-N 0 0 273.332 3.679 10 0 CHAERN O=C1[C@H]2[C@H](c3ccccc3)C[C@H]2CCN1Cc1ccccc1 ZINC000725262656 567923081 /nfs/dbraw/zinc/92/30/81/567923081.db2.gz RRHKPGXNYQKHRK-CEXWTWQISA-N 0 0 291.394 3.839 10 0 CHAERN C[C@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265690 567923662 /nfs/dbraw/zinc/92/36/62/567923662.db2.gz UKHBHSHFNLUYFV-VIFPVBQESA-N 0 0 291.192 3.964 10 0 CHAERN CCc1cccc2c1N[C@H](C1CCCCC1)[C@H](O)C2 ZINC000725268327 567924202 /nfs/dbraw/zinc/92/42/02/567924202.db2.gz MMJNZUVJGYYFJI-NVXWUHKLSA-N 0 0 259.393 3.527 10 0 CHAERN NNc1cc2ccc(Br)cc2nc1C1CCC1 ZINC000725268692 567924214 /nfs/dbraw/zinc/92/42/14/567924214.db2.gz YLFVXEFQBTWXRT-UHFFFAOYSA-N 0 0 292.180 3.550 10 0 CHAERN CNc1c(N)cnc2c(Oc3ccccc3)ccc(Cl)c21 ZINC000584882811 570229442 /nfs/dbraw/zinc/22/94/42/570229442.db2.gz SZLXRPJDBFBOJR-UHFFFAOYSA-N 0 0 299.761 3.726 10 0 CHAERN Cc1cc2c(cnn2[C@H]2CCCCO2)cc1Br ZINC000087493386 570254183 /nfs/dbraw/zinc/25/41/83/570254183.db2.gz CRDSGOQQAORQGB-CYBMUJFWSA-N 0 0 295.180 3.806 10 0 CHAERN Fc1ccccc1-c1cn2cccc(Br)c2n1 ZINC000136553122 570270342 /nfs/dbraw/zinc/27/03/42/570270342.db2.gz NHBSWMKWEKJACC-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN Cc1nn(-c2c(Cl)cccc2Cl)c(C)c1C=O ZINC000213388803 570379775 /nfs/dbraw/zinc/37/97/75/570379775.db2.gz QAJZRBLWJRBYBV-UHFFFAOYSA-N 0 0 269.131 3.608 10 0 CHAERN CC(C)c1cc(F)nc(C(Cl)(Cl)Cl)n1 ZINC000685959695 570406899 /nfs/dbraw/zinc/40/68/99/570406899.db2.gz QTXSALOIOSVECL-UHFFFAOYSA-N 0 0 257.523 3.566 10 0 CHAERN CCC(CC)CNC(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000105032747 1125474858 /nfs/dbraw/zinc/47/48/58/1125474858.db2.gz MJUKWNDXHHDYMB-GFCCVEGCSA-N 0 0 278.396 3.952 10 0 CHAERN O=C([O-])c1cc(C[NH2+][C@H]2CCCc3ccccc32)cs1 ZINC000689089971 976216665 /nfs/dbraw/zinc/21/66/65/976216665.db2.gz SXSQYFTXZVWASV-AWEZNQCLSA-N 0 0 287.384 3.614 10 0 CHAERN CC(C)(C)C[C@@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC000689092867 976218053 /nfs/dbraw/zinc/21/80/53/976218053.db2.gz DHOJZXTXQMWODY-NSHDSACASA-N 0 0 281.421 3.704 10 0 CHAERN Cc1cc(C)cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000692415570 976456884 /nfs/dbraw/zinc/45/68/84/976456884.db2.gz YETPPPLKSAGYRR-UHFFFAOYSA-N 0 0 297.398 3.780 10 0 CHAERN Cc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)CC1CCCCC1 ZINC000694670219 976709848 /nfs/dbraw/zinc/70/98/48/976709848.db2.gz MTLCLSXSDMJKOH-NSHDSACASA-N 0 0 279.380 3.735 10 0 CHAERN O=C([O-])c1cc(C[NH+]2CCC(C3CCCC3)CC2)cs1 ZINC000708766000 977441879 /nfs/dbraw/zinc/44/18/79/977441879.db2.gz ONLZFGHQEGYNKB-UHFFFAOYSA-N 0 0 293.432 3.849 10 0 CHAERN C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711393961 977543478 /nfs/dbraw/zinc/54/34/78/977543478.db2.gz PWJZMSCYDARUAG-NSHDSACASA-N 0 0 275.373 3.639 10 0 CHAERN C[C@H](Cc1cccs1)[N@H+](C)Cc1cc(C(=O)[O-])cs1 ZINC000711470941 977550314 /nfs/dbraw/zinc/55/03/14/977550314.db2.gz YZMKXSCNZLJOKZ-SNVBAGLBSA-N 0 0 295.429 3.571 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000721403615 978102267 /nfs/dbraw/zinc/10/22/67/978102267.db2.gz GJQFPENPNABRTK-UHFFFAOYSA-N 0 0 275.392 3.848 10 0 CHAERN CN(C(=O)[C@H]1CCCc2cccnc21)C1CCCCCC1 ZINC000193915466 1125551316 /nfs/dbraw/zinc/55/13/16/1125551316.db2.gz PPWLAVDCTJQHEC-INIZCTEOSA-N 0 0 286.419 3.683 10 0 CHAERN COc1ccc2c(CC(=O)Oc3ccccc3)coc2c1 ZINC000003551398 1125698461 /nfs/dbraw/zinc/69/84/61/1125698461.db2.gz GQSQERNDEUQFHQ-UHFFFAOYSA-N 0 0 282.295 3.590 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1C[C@H]2CCCCC[C@H]21 ZINC000362841846 1127651472 /nfs/dbraw/zinc/65/14/72/1127651472.db2.gz WYNZMAOPYUYKJJ-UKRRQHHQSA-N 0 0 268.360 3.573 10 0 CHAERN CC(=O)c1ccc(NC(=O)C=Cc2ccco2)cc1Cl ZINC000588423803 1118666725 /nfs/dbraw/zinc/66/67/25/1118666725.db2.gz TWGJVQSHHDTNAQ-ALCCZGGFSA-N 0 0 289.718 3.788 10 0 CHAERN CC[C@H](C)c1ccccc1OC(=O)/C=C\c1ccncn1 ZINC000588435487 1118731746 /nfs/dbraw/zinc/73/17/46/1118731746.db2.gz UZTXGJGBAZECHH-YXVBKTCISA-N 0 0 282.343 3.609 10 0 CHAERN CSCCCCCOC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588449196 1118788311 /nfs/dbraw/zinc/78/83/11/1118788311.db2.gz XKCADRRYAQJUMU-WAYWQWQTSA-N 0 0 299.823 3.825 10 0 CHAERN C[C@H](CCn1cccn1)OC(=O)CC/C=C\c1ccccc1 ZINC000588448631 1118788412 /nfs/dbraw/zinc/78/84/12/1118788412.db2.gz VAZJXGMKSQQAIS-MGDKSHQASA-N 0 0 298.386 3.699 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)OC1C[C@H](C)O[C@@H](C)C1 ZINC000588449090 1118788980 /nfs/dbraw/zinc/78/89/80/1118788980.db2.gz FZOXSJNVQVHNJR-FVIMBVCGSA-N 0 0 288.387 3.898 10 0 CHAERN CC[C@H]1CCCCCN1C(=O)/C=C\c1ncccc1C ZINC000588453077 1118799390 /nfs/dbraw/zinc/79/93/90/1118799390.db2.gz ZQUMWAWQZWVEMW-WOLCWHLNSA-N 0 0 272.392 3.584 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCc1ccc(F)cc1C ZINC000588454065 1118800920 /nfs/dbraw/zinc/80/09/20/1118800920.db2.gz NDEMTAJCIGADJT-FPLPWBNLSA-N 0 0 285.318 3.594 10 0 CHAERN O[C@@H]1CCOc2c(NC/C=C\c3ccc(F)cc3)cccc21 ZINC000588471326 1118893059 /nfs/dbraw/zinc/89/30/59/1118893059.db2.gz PBTZEWNXHYKADT-BAHPRDJBSA-N 0 0 299.345 3.767 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)Nc1ccc(O)cc1F ZINC000588506312 1119018914 /nfs/dbraw/zinc/01/89/14/1119018914.db2.gz OMHRLXNDGYLVEM-YVMONPNESA-N 0 0 291.709 3.837 10 0 CHAERN CSCCCCCNC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588507861 1119036137 /nfs/dbraw/zinc/03/61/37/1119036137.db2.gz MQDVKQIOUSGTEC-SEYXRHQNSA-N 0 0 295.423 3.879 10 0 CHAERN C/C(=C/C(=O)OCC1(C)CCOCC1)c1cccc(F)c1 ZINC000588510564 1119045689 /nfs/dbraw/zinc/04/56/89/1119045689.db2.gz YXFHIWMBVUJGDK-RAXLEYEMSA-N 0 0 292.350 3.589 10 0 CHAERN O=C(/C=C\c1ccc[nH]1)NCc1ccc(Cl)cc1Cl ZINC000588546677 1119189376 /nfs/dbraw/zinc/18/93/76/1119189376.db2.gz ZCNUVUMHPSRJSO-WAYWQWQTSA-N 0 0 295.169 3.651 10 0 CHAERN CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1cocn1 ZINC000588579245 1119378902 /nfs/dbraw/zinc/37/89/02/1119378902.db2.gz ZIHSHUHEBARMHZ-IZZDOVSWSA-N 0 0 291.713 3.920 10 0 CHAERN C[S@@](=O)c1ccc(C(=O)OC2CCCCCCC2)cc1 ZINC000102123334 1122885618 /nfs/dbraw/zinc/88/56/18/1122885618.db2.gz QLSQWIGRONSBFV-FQEVSTJZSA-N 0 0 294.416 3.694 10 0 CHAERN CC(C)=CC(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000102133257 1122885911 /nfs/dbraw/zinc/88/59/11/1122885911.db2.gz NJEZATNBICZGLS-LBPRGKRZSA-N 0 0 255.317 3.805 10 0 CHAERN CCc1cc(OC(=O)CCc2ccncc2)ccc1Cl ZINC000104216234 1122928470 /nfs/dbraw/zinc/92/84/70/1122928470.db2.gz ZJTPJIGATOGMSE-UHFFFAOYSA-N 0 0 289.762 3.836 10 0 CHAERN O=C(C1CC2(CCC2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000335382785 1123367109 /nfs/dbraw/zinc/36/71/09/1123367109.db2.gz QYBINIMRUSBLRQ-CYBMUJFWSA-N 0 0 290.432 3.777 10 0 CHAERN CC1(C)CCCN1C(=O)Cc1cccc2ccccc21 ZINC000102919765 1123595340 /nfs/dbraw/zinc/59/53/40/1123595340.db2.gz ITUONFDRXWGLBK-UHFFFAOYSA-N 0 0 267.372 3.783 10 0 CHAERN Cc1cnc(-c2noc([C@@H]3CCC[C@H]4CCCC[C@H]43)n2)nc1 ZINC000329633745 1123635473 /nfs/dbraw/zinc/63/54/73/1123635473.db2.gz XEYXKYDWQLLKAZ-MGPQQGTHSA-N 0 0 298.390 3.909 10 0 CHAERN CC(C)=CC(=O)O[C@@H](c1ccccc1)c1cccnc1 ZINC000102968910 1129673637 /nfs/dbraw/zinc/67/36/37/1129673637.db2.gz PWLIBTCWOJOXRT-KRWDZBQOSA-N 0 0 267.328 3.680 10 0 CHAERN O=C(O[C@@H](c1ccncc1)c1ccc(F)cc1)C1CCC1 ZINC000102967985 1129674018 /nfs/dbraw/zinc/67/40/18/1129674018.db2.gz YPYGAMRFADTGQJ-MRXNPFEDSA-N 0 0 285.318 3.653 10 0 CHAERN CC(C)[C@@H](CC(=O)OCC(F)(F)F)c1ccccc1 ZINC000103220388 1129726425 /nfs/dbraw/zinc/72/64/25/1129726425.db2.gz CSCVYXFKVZFAIB-GFCCVEGCSA-N 0 0 274.282 3.922 10 0 CHAERN CCC(CC)NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103296731 1129740460 /nfs/dbraw/zinc/74/04/60/1129740460.db2.gz JJQTVSJSYQSLDP-UHFFFAOYSA-N 0 0 266.360 3.549 10 0 CHAERN CCC[C@H](OC(=O)[C@H](C)SC)c1ccccc1 ZINC000103337074 1129745615 /nfs/dbraw/zinc/74/56/15/1129745615.db2.gz HCCPXDBOPWRTEJ-AAEUAGOBSA-N 0 0 252.379 3.823 10 0 CHAERN Cc1ccc2oc(C(=O)c3ccccc3C)cc2n1 ZINC000103500641 1130461887 /nfs/dbraw/zinc/46/18/87/1130461887.db2.gz HXDLEYWMPOALME-UHFFFAOYSA-N 0 0 251.285 3.676 10 0 CHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](F)C1 ZINC000095616798 185015937 /nfs/dbraw/zinc/01/59/37/185015937.db2.gz IUMVQRATLMCWIX-ZIAGYGMSSA-N 0 0 279.355 3.749 10 0 CHAERN CC(C)c1cnc(Br)c(OC2CC2)c1 ZINC000095722647 185019786 /nfs/dbraw/zinc/01/97/86/185019786.db2.gz LJDHHXHVRALEBA-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)Oc1ccc(OC2CC2)c(Br)c1 ZINC000095722998 185020030 /nfs/dbraw/zinc/02/00/30/185020030.db2.gz MKVJTGOXMPFIJY-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CC(C)(C)Oc1cc(Br)ncc1OC1CC1 ZINC000095724959 185020490 /nfs/dbraw/zinc/02/04/90/185020490.db2.gz MJQVJMNCHWVAMQ-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN Oc1cc(Br)ccc1OC1CCCCC1 ZINC000095723363 185020530 /nfs/dbraw/zinc/02/05/30/185020530.db2.gz GYAKGTZKWQDPDH-UHFFFAOYSA-N 0 0 271.154 3.866 10 0 CHAERN Oc1ccc(OC2CCCCC2)cc1Br ZINC000095724505 185020820 /nfs/dbraw/zinc/02/08/20/185020820.db2.gz NQDBMAYAXDMASN-UHFFFAOYSA-N 0 0 271.154 3.866 10 0 CHAERN CCc1nc(Cl)cc(N[C@@H](C)c2ccccc2)n1 ZINC000082509496 178075859 /nfs/dbraw/zinc/07/58/59/178075859.db2.gz LCSBPTLXDCPCSH-JTQLQIEISA-N 0 0 261.756 3.866 10 0 CHAERN CCc1nc(Cl)cc(N[C@H](C)c2ccccc2)n1 ZINC000082509497 178076263 /nfs/dbraw/zinc/07/62/63/178076263.db2.gz LCSBPTLXDCPCSH-SNVBAGLBSA-N 0 0 261.756 3.866 10 0 CHAERN CCCc1nc(Cl)cc(NCc2ccc(OC)cc2)n1 ZINC000082509811 178076795 /nfs/dbraw/zinc/07/67/95/178076795.db2.gz VJKNCKQJFUJLTQ-UHFFFAOYSA-N 0 0 291.782 3.703 10 0 CHAERN Cc1ccc(Br)c(OCc2ccccc2)n1 ZINC000095830491 185028856 /nfs/dbraw/zinc/02/88/56/185028856.db2.gz QPLPZIVXBMYTTA-UHFFFAOYSA-N 0 0 278.149 3.732 10 0 CHAERN Brc1ccc(CCc2nccs2)cc1 ZINC000082574199 178114412 /nfs/dbraw/zinc/11/44/12/178114412.db2.gz XDQQAGWMXBRROU-UHFFFAOYSA-N 0 0 268.179 3.691 10 0 CHAERN FC(F)(C1=NCCN1Cc1ccccc1)c1ccccc1 ZINC000095930236 185031892 /nfs/dbraw/zinc/03/18/92/185031892.db2.gz JQDXXLQWKRFWIK-UHFFFAOYSA-N 0 0 286.325 3.693 10 0 CHAERN O=C1CC[C@@H](C(F)(F)F)N1c1cccc2ccccc21 ZINC000095930834 185032287 /nfs/dbraw/zinc/03/22/87/185032287.db2.gz JDDKJKYETIDTEJ-ZDUSSCGKSA-N 0 0 279.261 3.898 10 0 CHAERN COC(=O)CC[C@@H](Nc1ccc(Cl)cc1)C(F)(F)F ZINC000095930849 185032339 /nfs/dbraw/zinc/03/23/39/185032339.db2.gz ZISZOHHLWGIICB-SNVBAGLBSA-N 0 0 295.688 3.636 10 0 CHAERN Cc1nc(Cl)c(Br)c(C)c1Br ZINC000095930609 185032396 /nfs/dbraw/zinc/03/23/96/185032396.db2.gz BKMOCGVAJFPIFY-UHFFFAOYSA-N 0 0 299.393 3.877 10 0 CHAERN Cc1ccc(Nc2cc(C)c(N)cn2)c(Br)c1 ZINC000082586893 178123658 /nfs/dbraw/zinc/12/36/58/178123658.db2.gz KNLGLQBKXHHWMC-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN C=CC(=O)OCCSc1ccc2ccccc2c1 ZINC000095938297 185035078 /nfs/dbraw/zinc/03/50/78/185035078.db2.gz TVQDRZGNLJFEQK-UHFFFAOYSA-N 0 0 258.342 3.661 10 0 CHAERN Cc1ccc(/C=C\C(=O)NC2CCCC2)cc1Cl ZINC000095938859 185035141 /nfs/dbraw/zinc/03/51/41/185035141.db2.gz YLNHMEBWOIUTRD-HJWRWDBZSA-N 0 0 263.768 3.720 10 0 CHAERN CSc1nc(Cl)cc(Nc2ccccc2)n1 ZINC000082699309 178200461 /nfs/dbraw/zinc/20/04/61/178200461.db2.gz NQSHFGWVOOPMOP-UHFFFAOYSA-N 0 0 251.742 3.596 10 0 CHAERN Nc1c(F)cccc1C(=O)Nc1c(Cl)cccc1Cl ZINC000082700017 178202260 /nfs/dbraw/zinc/20/22/60/178202260.db2.gz JGRIADBMWGNNJD-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN CN[C@H](Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000082717662 178233309 /nfs/dbraw/zinc/23/33/09/178233309.db2.gz GFCIZXBZLPPENY-MRVPVSSYSA-N 0 0 272.097 3.686 10 0 CHAERN CCOC(=O)c1ccc(Oc2ccccc2)cc1C ZINC000082721999 178236583 /nfs/dbraw/zinc/23/65/83/178236583.db2.gz FMAAXFWURAEXRN-UHFFFAOYSA-N 0 0 256.301 3.964 10 0 CHAERN COc1ccc2nc(NCCc3ccccc3)sc2c1 ZINC000082727248 178243524 /nfs/dbraw/zinc/24/35/24/178243524.db2.gz RPOLRHMQHPKWSC-UHFFFAOYSA-N 0 0 284.384 3.960 10 0 CHAERN COC(=O)c1ncsc1-c1cccc2ccccc21 ZINC000083239314 178366032 /nfs/dbraw/zinc/36/60/32/178366032.db2.gz SARCBVTTWCWIEF-UHFFFAOYSA-N 0 0 269.325 3.750 10 0 CHAERN CC(=O)Oc1cn(Cc2ccccc2)c2ccc(C)cc12 ZINC000096675610 185109385 /nfs/dbraw/zinc/10/93/85/185109385.db2.gz QEQWDSJDHZCCHM-UHFFFAOYSA-N 0 0 279.339 3.923 10 0 CHAERN N[C@H](c1nc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000096795252 185114949 /nfs/dbraw/zinc/11/49/49/185114949.db2.gz LNZHTNNOACEDKT-LBPRGKRZSA-N 0 0 299.226 3.987 10 0 CHAERN CCCN(Cc1ccccc1)C(=O)N[C@H](C)C(C)C ZINC000125940124 187206184 /nfs/dbraw/zinc/20/61/84/187206184.db2.gz WJNKOZCXIQCWGA-CQSZACIVSA-N 0 0 262.397 3.653 10 0 CHAERN Cc1c(-c2ccccc2OC(F)(F)F)sc2ncnn12 ZINC000097758512 185663420 /nfs/dbraw/zinc/66/34/20/185663420.db2.gz RWKRESQTVFAODW-UHFFFAOYSA-N 0 0 299.277 3.665 10 0 CHAERN Nc1sc2c(c1-c1nc(-c3cccs3)no1)CCC2 ZINC000101839365 185760312 /nfs/dbraw/zinc/76/03/12/185760312.db2.gz BZXZGJUKUYWPEQ-UHFFFAOYSA-N 0 0 289.385 3.598 10 0 CHAERN Cc1c(F)cccc1-n1c2ccc(F)cc2[nH]c1=S ZINC000104158765 185913170 /nfs/dbraw/zinc/91/31/70/185913170.db2.gz URERHWQWOJOELQ-UHFFFAOYSA-N 0 0 276.311 3.901 10 0 CHAERN CCSc1ccccc1NC[C@@H]1CCCOC1 ZINC000104311692 185963319 /nfs/dbraw/zinc/96/33/19/185963319.db2.gz XDHVCWIPRMZHGH-LBPRGKRZSA-N 0 0 251.395 3.637 10 0 CHAERN Cc1ccc(F)cc1NC(=O)c1c(N)cccc1Cl ZINC000104327327 185969660 /nfs/dbraw/zinc/96/96/60/185969660.db2.gz GXVNMYDFKLXEGV-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccc(N)cc1-c1nc2cc(Cl)ccc2n1C ZINC000104331446 185972150 /nfs/dbraw/zinc/97/21/50/185972150.db2.gz QCDUEGUVQJLVDU-UHFFFAOYSA-N 0 0 271.751 3.784 10 0 CHAERN COc1ccc(C[C@H]2CCNc3ccccc32)cc1 ZINC000104389036 185989000 /nfs/dbraw/zinc/98/90/00/185989000.db2.gz KUEMYPQZJQEYHV-CQSZACIVSA-N 0 0 253.345 3.837 10 0 CHAERN Cc1cc(NC(=O)C=Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000104440977 186003188 /nfs/dbraw/zinc/00/31/88/186003188.db2.gz WERXSRWJRTXZEO-AATRIKPKSA-N 0 0 296.157 3.677 10 0 CHAERN COc1ccc(F)cc1[C@@H](O)C[C@@H](C)C(C)(C)C ZINC000104432831 186000589 /nfs/dbraw/zinc/00/05/89/186000589.db2.gz OKFWWUXHHXJFBL-MFKMUULPSA-N 0 0 254.345 3.940 10 0 CHAERN COc1cccc(-c2cnc(OC)c3cccc(O)c32)c1 ZINC000090554779 180003587 /nfs/dbraw/zinc/00/35/87/180003587.db2.gz HRQDANRFJOWOTG-UHFFFAOYSA-N 0 0 281.311 3.625 10 0 CHAERN CCN(C(=O)C[C@@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000104436903 186001420 /nfs/dbraw/zinc/00/14/20/186001420.db2.gz RDGNVWFVYRJFBD-GFCCVEGCSA-N 0 0 262.397 3.694 10 0 CHAERN Cc1cc(NC(=O)C=Cc2cc(Cl)ccc2Cl)n[nH]1 ZINC000104438587 186002047 /nfs/dbraw/zinc/00/20/47/186002047.db2.gz IRKIXCGNHZEMRE-GORDUTHDSA-N 0 0 296.157 3.677 10 0 CHAERN O=Cc1cc2cccc(C(F)(F)F)c2nc1Cl ZINC000090668963 180020212 /nfs/dbraw/zinc/02/02/12/180020212.db2.gz KLGXLLMXRBBPTF-UHFFFAOYSA-N 0 0 259.614 3.720 10 0 CHAERN C[C@H](Cc1nc(-c2ccc(N)cc2)no1)C(C)(C)C ZINC000104444143 186004390 /nfs/dbraw/zinc/00/43/90/186004390.db2.gz MIEHARNXECHWPD-SNVBAGLBSA-N 0 0 259.353 3.544 10 0 CHAERN Cc1nc2ccccc2nc1NCC1(C)CCCC1 ZINC000104449740 186005712 /nfs/dbraw/zinc/00/57/12/186005712.db2.gz QONHHTQQARLYSM-UHFFFAOYSA-N 0 0 255.365 3.930 10 0 CHAERN COc1ccc(OC)c([C@@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104450183 186007001 /nfs/dbraw/zinc/00/70/01/186007001.db2.gz NWBDSQAGXLZWEW-FZMZJTMJSA-N 0 0 266.381 3.810 10 0 CHAERN Clc1ccc(COc2cc(Cl)ccn2)cc1 ZINC000091362103 180141882 /nfs/dbraw/zinc/14/18/82/180141882.db2.gz XLQJELKJQHTXAC-UHFFFAOYSA-N 0 0 254.116 3.967 10 0 CHAERN Fc1ccc([C@@H]2COCc3c(Cl)nc(Cl)nc32)cc1 ZINC000091690822 180227666 /nfs/dbraw/zinc/22/76/66/180227666.db2.gz AQONFDQPFZLULI-VIFPVBQESA-N 0 0 299.132 3.585 10 0 CHAERN COC(=O)c1ccc2c(c1)C(C)(C)C[C@@H](c1cccnc1)N2 ZINC000091692159 180228130 /nfs/dbraw/zinc/22/81/30/180228130.db2.gz ZABMLZVHQQNOHJ-INIZCTEOSA-N 0 0 296.370 3.703 10 0 CHAERN Oc1ccccc1-c1ccc2c(Cl)nc(Cl)nc2n1 ZINC000091692403 180228333 /nfs/dbraw/zinc/22/83/33/180228333.db2.gz PSZSCWOIBBQVMJ-UHFFFAOYSA-N 0 0 292.125 3.704 10 0 CHAERN CCCc1cc(NC)c2c(Cl)ccc(OC)c2n1 ZINC000110112175 186286489 /nfs/dbraw/zinc/28/64/89/186286489.db2.gz XYPLNWRSJPBEES-UHFFFAOYSA-N 0 0 264.756 3.891 10 0 CHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1C[C@@H]1c1ccco1 ZINC000121874967 187001911 /nfs/dbraw/zinc/00/19/11/187001911.db2.gz BEWPNHBMEVWLJM-KBPBESRZSA-N 0 0 294.310 3.677 10 0 CHAERN C[C@H](NC(=O)[C@H](C)SCC1CCC1)c1ccccc1 ZINC000173858885 261172852 /nfs/dbraw/zinc/17/28/52/261172852.db2.gz YMERBJGTEYMQEQ-STQMWFEESA-N 0 0 277.433 3.786 10 0 CHAERN CCn1ccsc1=Nc1ccc(C)cc1Cl ZINC000255989626 190000153 /nfs/dbraw/zinc/00/01/53/190000153.db2.gz NFYXNHPWVXXEJX-UHFFFAOYSA-N 0 0 252.770 3.764 10 0 CHAERN Cn1c(=S)n(-c2ccccc2)sc1=Nc1ccccc1 ZINC000255996473 190000884 /nfs/dbraw/zinc/00/08/84/190000884.db2.gz QEYHNLZDXSCRKS-UHFFFAOYSA-N 0 0 299.424 3.839 10 0 CHAERN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@H]1CCC2=O ZINC000256412900 190006198 /nfs/dbraw/zinc/00/61/98/190006198.db2.gz DYMROBVXGSLPAY-DQPZPLTKSA-N 0 0 288.431 3.735 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)NC1(C)CCCCC1 ZINC000050779025 522625701 /nfs/dbraw/zinc/62/57/01/522625701.db2.gz NLJNLJIKJXNMLV-UHFFFAOYSA-N 0 0 280.799 3.834 10 0 CHAERN O=C1Nc2ccc(Br)cc2/C1=C\c1ccco1 ZINC000000213444 169576983 /nfs/dbraw/zinc/57/69/83/169576983.db2.gz CBYUHHGMVIHGFQ-YRNVUSSQSA-N 0 0 290.116 3.535 10 0 CHAERN C[C@]12CC(=O)C[C@H]1CC[C@@H]1[C@H]3CC[C@@H](O)[C@@]3(C)CC[C@H]12 ZINC000245187626 256785914 /nfs/dbraw/zinc/78/59/14/256785914.db2.gz ZRIOQYDHRPOBLF-FECKYUFXSA-N 0 0 276.420 3.569 10 0 CHAERN Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1 ZINC000001430602 169704997 /nfs/dbraw/zinc/70/49/97/169704997.db2.gz GRGDWLDSVPJEJU-UHFFFAOYSA-N 0 0 273.332 3.808 10 0 CHAERN CCCN(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000171418667 335065341 /nfs/dbraw/zinc/06/53/41/335065341.db2.gz ARSJYAXJTMZBPL-WDEREUQCSA-N 0 0 292.345 3.692 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1ccc(C=O)cc1 ZINC000020547305 134732388 /nfs/dbraw/zinc/73/23/88/134732388.db2.gz RWVQOCLPKDRAMH-UHFFFAOYSA-N 0 0 251.329 3.892 10 0 CHAERN COc1ccc(C(=O)c2ccccc2)cc1CN1CCCC1 ZINC000002001513 169766506 /nfs/dbraw/zinc/76/65/06/169766506.db2.gz BXFUGJYXDNMLFQ-UHFFFAOYSA-N 0 0 295.382 3.522 10 0 CHAERN CCCC[C@@H]1[C@@H](C)C1(Br)Br ZINC000002144931 169776777 /nfs/dbraw/zinc/77/67/77/169776777.db2.gz VVXFDFGQTPWSOD-RNFRBKRXSA-N 0 0 270.008 3.929 10 0 CHAERN CCn1ncc(CNc2cccc(C(F)(F)F)c2)c1C ZINC000002536285 169804373 /nfs/dbraw/zinc/80/43/73/169804373.db2.gz KBMGPDHNUFKBGD-UHFFFAOYSA-N 0 0 283.297 3.842 10 0 CHAERN O=C(NCc1ccc(Cl)cc1)Nc1cccs1 ZINC000002908212 169843989 /nfs/dbraw/zinc/84/39/89/169843989.db2.gz HSSTXJOWDCUJHL-UHFFFAOYSA-N 0 0 266.753 3.723 10 0 CHAERN CCc1c(C)nc(SCc2cccc(Cl)c2)[nH]c1=O ZINC000005155404 170071893 /nfs/dbraw/zinc/07/18/93/170071893.db2.gz CVVMQXZFHNDTDK-UHFFFAOYSA-N 0 0 294.807 3.586 10 0 CHAERN CCc1c(C)nc(SCc2cc(C)ccc2C)[nH]c1=O ZINC000005155349 170071934 /nfs/dbraw/zinc/07/19/34/170071934.db2.gz PYVYIKPIPHDQFH-UHFFFAOYSA-N 0 0 288.416 3.550 10 0 CHAERN CC1=Nc2ccc(S(=O)(=O)c3ccccc3)cc2C1(C)C ZINC000005306766 170084764 /nfs/dbraw/zinc/08/47/64/170084764.db2.gz XMZRGAIXGAXJBU-UHFFFAOYSA-N 0 0 299.395 3.903 10 0 CHAERN Cc1cc(OCc2ccc(C(N)=S)cc2)ccc1Cl ZINC000005592579 170117231 /nfs/dbraw/zinc/11/72/31/170117231.db2.gz JYRIOGOMCGOXSJ-UHFFFAOYSA-N 0 0 291.803 3.862 10 0 CHAERN COc1ccc2nc(Cl)c([C@H](O)c3ccccc3)cc2c1 ZINC000005720910 170132675 /nfs/dbraw/zinc/13/26/75/170132675.db2.gz JCAIQYZMNTXDRO-MRXNPFEDSA-N 0 0 299.757 3.979 10 0 CHAERN Cc1ccc(-c2nnc(COc3cccc(C)c3)[nH]2)cc1 ZINC000005968908 170164328 /nfs/dbraw/zinc/16/43/28/170164328.db2.gz QSZRPUPVWRITEU-UHFFFAOYSA-N 0 0 279.343 3.668 10 0 CHAERN COc1c(Br)cc(C)cc1Br ZINC000006069672 170173863 /nfs/dbraw/zinc/17/38/63/170173863.db2.gz IHOLQYYMMKYVLH-UHFFFAOYSA-N 0 0 279.959 3.529 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)c1c(F)c(C)cc(F)c1F ZINC000006393876 170197585 /nfs/dbraw/zinc/19/75/85/170197585.db2.gz YYQLCBFHHKQUHX-SNVBAGLBSA-N 0 0 285.309 3.817 10 0 CHAERN O=C1CS[C@H](c2c(F)cccc2F)N1c1ccccc1 ZINC000006581231 170215191 /nfs/dbraw/zinc/21/51/91/170215191.db2.gz PTHIBCABAMGAHS-OAHLLOKOSA-N 0 0 291.322 3.743 10 0 CHAERN O=C1c2ccccc2[C@@]2(c3ccccc3)CCCCN12 ZINC000006582287 170215698 /nfs/dbraw/zinc/21/56/98/170215698.db2.gz JVKLGUOFUHFYRR-SFHVURJKSA-N 0 0 263.340 3.570 10 0 CHAERN CC1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000006764050 170241954 /nfs/dbraw/zinc/24/19/54/170241954.db2.gz GSZOCMRUEUHPGW-UHFFFAOYSA-N 0 0 296.208 3.758 10 0 CHAERN Brc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000006813623 170245841 /nfs/dbraw/zinc/24/58/41/170245841.db2.gz XYCSXVZWQFSQAY-UHFFFAOYSA-N 0 0 263.094 3.585 10 0 CHAERN CSc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000007268921 170275292 /nfs/dbraw/zinc/27/52/92/170275292.db2.gz NBOIGKRCYZBRPW-HNNXBMFYSA-N 0 0 299.395 3.662 10 0 CHAERN CCc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1 ZINC000007587663 170292006 /nfs/dbraw/zinc/29/20/06/170292006.db2.gz RFLAVISTOWHMOZ-AWEZNQCLSA-N 0 0 294.398 3.639 10 0 CHAERN Cc1cccc(C)c1O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000008162992 170322031 /nfs/dbraw/zinc/32/20/31/170322031.db2.gz BFYIEWJHSRCRLH-OAHLLOKOSA-N 0 0 295.382 3.660 10 0 CHAERN COc1ccc(CC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000008272399 170328201 /nfs/dbraw/zinc/32/82/01/170328201.db2.gz FWVQAYRKHCTHOV-UHFFFAOYSA-N 0 0 299.370 3.502 10 0 CHAERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cccc(F)c1 ZINC000008277119 170328623 /nfs/dbraw/zinc/32/86/23/170328623.db2.gz SLSBDDUBTNQLIG-RIONUONSSA-N 0 0 261.340 3.534 10 0 CHAERN Nc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccccc1 ZINC000008436425 170336548 /nfs/dbraw/zinc/33/65/48/170336548.db2.gz LQSKTYWNUZQBON-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN CCN(CC)C(=O)c1cccc(-c2cccs2)c1 ZINC000008475384 170337277 /nfs/dbraw/zinc/33/72/77/170337277.db2.gz QMHFBEFMPSQCJQ-UHFFFAOYSA-N 0 0 259.374 3.897 10 0 CHAERN Cc1ccc(C2=NN[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000008550523 170339864 /nfs/dbraw/zinc/33/98/64/170339864.db2.gz RVFTVTUDZOZFRG-MRXNPFEDSA-N 0 0 250.345 3.742 10 0 CHAERN C[C@@H]1CCCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000008597020 170342181 /nfs/dbraw/zinc/34/21/81/170342181.db2.gz OYWDKKRYPQSBNX-GFCCVEGCSA-N 0 0 293.370 3.588 10 0 CHAERN O=C(Nc1onc2c1CCCC2)c1ccc2c(c1)CCCC2 ZINC000008976603 170360127 /nfs/dbraw/zinc/36/01/27/170360127.db2.gz RKIPKAQEQRTRAR-UHFFFAOYSA-N 0 0 296.370 3.685 10 0 CHAERN COc1ccccc1Cn1cc(C=O)c2ccccc21 ZINC000009239686 170368168 /nfs/dbraw/zinc/36/81/68/170368168.db2.gz NNQQIPQVCHDFGH-UHFFFAOYSA-N 0 0 265.312 3.511 10 0 CHAERN CCOC(=O)CCc1c(C)nc2[nH]c3ccccc3c2c1C ZINC000009915911 170390841 /nfs/dbraw/zinc/39/08/41/170390841.db2.gz XMUVNMWTESFQJX-UHFFFAOYSA-N 0 0 296.370 3.829 10 0 CHAERN CCc1c(C)nc(SCc2ccccc2Cl)[nH]c1=O ZINC000009941024 170391359 /nfs/dbraw/zinc/39/13/59/170391359.db2.gz KALKQBQVBQUMDJ-UHFFFAOYSA-N 0 0 294.807 3.586 10 0 CHAERN O[C@@H](CSc1nc2ccccc2o1)c1ccccc1 ZINC000010141079 170398578 /nfs/dbraw/zinc/39/85/78/170398578.db2.gz PXBLUVPBNYIUFU-ZDUSSCGKSA-N 0 0 271.341 3.654 10 0 CHAERN Cc1cccc([C@@H](CO)Cc2cccc(Cl)c2)c1 ZINC000011734520 170436809 /nfs/dbraw/zinc/43/68/09/170436809.db2.gz WHLASSIRLADKMS-OAHLLOKOSA-N 0 0 260.764 3.967 10 0 CHAERN Cc1cccc(C[C@H](CO)c2cccc(Cl)c2)c1 ZINC000011734667 170436824 /nfs/dbraw/zinc/43/68/24/170436824.db2.gz UQONOPHWTMEBQD-OAHLLOKOSA-N 0 0 260.764 3.967 10 0 CHAERN CCCCCCOc1ccc(Cl)cc1C(N)=S ZINC000011828802 170444736 /nfs/dbraw/zinc/44/47/36/170444736.db2.gz PGHJZIUKNUHAAV-UHFFFAOYSA-N 0 0 271.813 3.933 10 0 CHAERN CCCC(=O)Oc1ccc(/C=C/c2ccncc2)cc1 ZINC000011858411 170448704 /nfs/dbraw/zinc/44/87/04/170448704.db2.gz BBPZKLIQYHZCKE-SNAWJCMRSA-N 0 0 267.328 3.958 10 0 CHAERN COc1ccc(-c2[nH]c3nccnc3c2C(C)C)cc1 ZINC000013492964 170556568 /nfs/dbraw/zinc/55/65/68/170556568.db2.gz CAFYKPIUWNVPMG-UHFFFAOYSA-N 0 0 267.332 3.757 10 0 CHAERN CCCCC(=O)NC(=S)Nc1cccc2ccccc21 ZINC000013985533 170613867 /nfs/dbraw/zinc/61/38/67/170613867.db2.gz DMYDWCWIOSPRII-UHFFFAOYSA-N 0 0 286.400 3.843 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCCCC(=O)Nc1cccc(N)c1 ZINC000019278998 170770591 /nfs/dbraw/zinc/77/05/91/170770591.db2.gz YBUYFISJYBOIFK-CJNGLKHVSA-N 0 0 290.407 3.583 10 0 CHAERN Nc1cc(Cl)ccc1C(=O)Nc1cccc2cccnc21 ZINC000019279248 170770698 /nfs/dbraw/zinc/77/06/98/170770698.db2.gz UJZHDWVNIGMKGI-UHFFFAOYSA-N 0 0 297.745 3.723 10 0 CHAERN COc1cc(N)c(-c2nc3ccccc3s2)cc1OC ZINC000019483599 170810699 /nfs/dbraw/zinc/81/06/99/170810699.db2.gz ACZUUTPJXLMILI-UHFFFAOYSA-N 0 0 286.356 3.563 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2N1 ZINC000019489151 170814202 /nfs/dbraw/zinc/81/42/02/170814202.db2.gz BHMUWEMQVCXQRZ-NHYWBVRUSA-N 0 0 284.334 3.752 10 0 CHAERN CCCCOc1cc2sc(N)nc2c2cccnc12 ZINC000019772643 170857472 /nfs/dbraw/zinc/85/74/72/170857472.db2.gz PRXPBRNNHLHXTD-UHFFFAOYSA-N 0 0 273.361 3.606 10 0 CHAERN Cc1ccc(C)c(OCc2ccccc2C(N)=S)c1 ZINC000019806103 170875049 /nfs/dbraw/zinc/87/50/49/170875049.db2.gz YCNYGTZGJKRCPS-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN Cc1cc(C=O)c(C)n1C12CC3CC(CC(C3)C1)C2 ZINC000019806610 170875584 /nfs/dbraw/zinc/87/55/84/170875584.db2.gz WKXIESPKLIJZFU-UHFFFAOYSA-N 0 0 257.377 3.843 10 0 CHAERN Nc1ccc(F)c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000019835116 170884512 /nfs/dbraw/zinc/88/45/12/170884512.db2.gz IJPUZNJOXHJKKF-UHFFFAOYSA-N 0 0 290.363 3.601 10 0 CHAERN CC(C)c1ccccc1Oc1cc2c(cc1N)OCCO2 ZINC000019869157 170899918 /nfs/dbraw/zinc/89/99/18/170899918.db2.gz GQIZZHXJCZOYTC-UHFFFAOYSA-N 0 0 285.343 3.956 10 0 CHAERN CCCSCCCC(=O)Nc1cc(Cl)ccc1N ZINC000019870056 170900942 /nfs/dbraw/zinc/90/09/42/170900942.db2.gz IPLSKTDDXVLQSH-UHFFFAOYSA-N 0 0 286.828 3.784 10 0 CHAERN CC[C@H](C)SCCCC(=O)Nc1ccc(N)cc1OC ZINC000019869875 170901145 /nfs/dbraw/zinc/90/11/45/170901145.db2.gz ZNQZBDRNCSVBMR-NSHDSACASA-N 0 0 296.436 3.528 10 0 CHAERN CC(C)(C)SCCC(=O)Nc1cc(Cl)ccc1N ZINC000019869987 170901289 /nfs/dbraw/zinc/90/12/89/170901289.db2.gz DFZCHSSJIAZZET-UHFFFAOYSA-N 0 0 286.828 3.783 10 0 CHAERN COc1ccccc1N[C@H]1CCOc2ccccc21 ZINC000019902117 170914263 /nfs/dbraw/zinc/91/42/63/170914263.db2.gz PMJTUKGNFOIZHN-ZDUSSCGKSA-N 0 0 255.317 3.631 10 0 CHAERN COc1ccc(OC)c(N[C@@H]2CCOc3ccccc32)c1 ZINC000019910773 170921534 /nfs/dbraw/zinc/92/15/34/170921534.db2.gz DLEVITHEQOPFBR-CQSZACIVSA-N 0 0 285.343 3.640 10 0 CHAERN CCc1ccc([C@H](C)Nc2ccc(C(N)=O)cc2)cc1 ZINC000019911729 170922433 /nfs/dbraw/zinc/92/24/33/170922433.db2.gz XEFXJHZZTAQPFN-LBPRGKRZSA-N 0 0 268.360 3.521 10 0 CHAERN C[C@@H](Nc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000019944476 170935957 /nfs/dbraw/zinc/93/59/57/170935957.db2.gz OCFRJBSQELVWEM-SNVBAGLBSA-N 0 0 259.280 3.728 10 0 CHAERN O=Cc1ccc(Oc2ccc(F)cc2F)c(F)c1 ZINC000020079475 170985831 /nfs/dbraw/zinc/98/58/31/170985831.db2.gz IDLDUHJDBRUREN-UHFFFAOYSA-N 0 0 252.191 3.709 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)CCc1cccc(N)c1 ZINC000020187132 171051721 /nfs/dbraw/zinc/05/17/21/171051721.db2.gz WDGMPVKROJRHHI-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN CC[C@H](Nc1cccc(O)c1)c1ccc(OC)cc1 ZINC000020193792 171059320 /nfs/dbraw/zinc/05/93/20/171059320.db2.gz JJPUTKAITBOTAN-INIZCTEOSA-N 0 0 257.333 3.964 10 0 CHAERN CN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(O)cc1 ZINC000020210785 171074182 /nfs/dbraw/zinc/07/41/82/171074182.db2.gz LKRFKZHPOMUMGS-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN [NH3+][C@@H](CCC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000020217243 171080159 /nfs/dbraw/zinc/08/01/59/171080159.db2.gz VFIDSQYWHBTEMO-HNNXBMFYSA-N 0 0 261.365 3.599 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)CC1CCCCC1 ZINC000020248980 171101935 /nfs/dbraw/zinc/10/19/35/171101935.db2.gz GAWXPQARKCXZTK-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN Cc1ccc(F)cc1N[C@@H](C)C(=O)Nc1ccccc1 ZINC000020301185 171138771 /nfs/dbraw/zinc/13/87/71/171138771.db2.gz NVZYCHJNTBSKCQ-LBPRGKRZSA-N 0 0 272.323 3.573 10 0 CHAERN Cc1ccc(Cl)cc1N[C@@H](C)C(=O)NC1CCCCC1 ZINC000020301450 171138853 /nfs/dbraw/zinc/13/88/53/171138853.db2.gz MIIJWJGXSPTDKE-LBPRGKRZSA-N 0 0 294.826 3.898 10 0 CHAERN CCc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1N ZINC000020343482 171153600 /nfs/dbraw/zinc/15/36/00/171153600.db2.gz HAMROGQPUAKGFN-UHFFFAOYSA-N 0 0 268.360 3.700 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)c2c(F)cccc2Cl)c1 ZINC000020344270 171153891 /nfs/dbraw/zinc/15/38/91/171153891.db2.gz USQKDQWWEBORSK-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cn1cccc1CNc1ccc(Cl)cc1Cl ZINC000020359119 171158254 /nfs/dbraw/zinc/15/82/54/171158254.db2.gz ILZQHQCHMHIZNU-UHFFFAOYSA-N 0 0 255.148 3.944 10 0 CHAERN CCCCCCNc1ccc(CN2CCOCC2)cc1 ZINC000020360494 171158974 /nfs/dbraw/zinc/15/89/74/171158974.db2.gz YWTUIWGCFNWSKL-UHFFFAOYSA-N 0 0 276.424 3.511 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1O ZINC000020363180 171162144 /nfs/dbraw/zinc/16/21/44/171162144.db2.gz MZQDQBACRWZMRX-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1O ZINC000020363350 171162350 /nfs/dbraw/zinc/16/23/50/171162350.db2.gz IZNXBQYLHYDYBE-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000020366663 171165218 /nfs/dbraw/zinc/16/52/18/171165218.db2.gz WEIDCKXTSIPHNP-NSHDSACASA-N 0 0 282.815 3.754 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC000020366428 171165222 /nfs/dbraw/zinc/16/52/22/171165222.db2.gz JEZWYAPGXMHMPD-CHWSQXEVSA-N 0 0 270.376 3.555 10 0 CHAERN N[C@H](c1cc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000020369100 171166797 /nfs/dbraw/zinc/16/67/97/171166797.db2.gz GQHYAMJGLNRFTH-HNNXBMFYSA-N 0 0 259.255 3.759 10 0 CHAERN Nc1cnccc1Oc1ccc(Cl)cc1Cl ZINC000020370645 171167717 /nfs/dbraw/zinc/16/77/17/171167717.db2.gz XMDZJMJYRFWQNW-UHFFFAOYSA-N 0 0 255.104 3.763 10 0 CHAERN CC(C)(C)C(O)=CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000020375410 171170545 /nfs/dbraw/zinc/17/05/45/171170545.db2.gz LGUIYNJGVOBHFN-UHFFFAOYSA-N 0 0 262.393 3.777 10 0 CHAERN Nc1ccc(NCCc2ccc(Cl)cc2Cl)nc1 ZINC000020383240 171173434 /nfs/dbraw/zinc/17/34/34/171173434.db2.gz TWHRYFISZRECJA-UHFFFAOYSA-N 0 0 282.174 3.625 10 0 CHAERN Cc1cccc2cc([C@@H](N)c3ccc(F)cc3)oc21 ZINC000020389198 171177978 /nfs/dbraw/zinc/17/79/78/171177978.db2.gz BRPCCYMLHKVURY-HNNXBMFYSA-N 0 0 255.292 3.928 10 0 CHAERN CCC(C)(C)c1ccc(OCc2csc(N)n2)cc1 ZINC000020393058 171180132 /nfs/dbraw/zinc/18/01/32/171180132.db2.gz XNSCQDSASIKINX-UHFFFAOYSA-N 0 0 276.405 3.992 10 0 CHAERN COc1ccc(NCc2cc(C)c(O)c(C)c2)cc1 ZINC000020424275 171190878 /nfs/dbraw/zinc/19/08/78/171190878.db2.gz XZJVWDMMNCBLPU-UHFFFAOYSA-N 0 0 257.333 3.630 10 0 CHAERN Cc1nn(C)c(Oc2c(C)cc(Cl)cc2C)c1C=O ZINC000020445189 171206212 /nfs/dbraw/zinc/20/62/12/171206212.db2.gz VRCVDQJWBTWQKT-UHFFFAOYSA-N 0 0 278.739 3.604 10 0 CHAERN Ic1ccccc1NC1CCCC1 ZINC000020480185 171221919 /nfs/dbraw/zinc/22/19/19/171221919.db2.gz HBLOAVMELLBZKA-UHFFFAOYSA-N 0 0 287.144 3.646 10 0 CHAERN CCCCCC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000020481047 171221933 /nfs/dbraw/zinc/22/19/33/171221933.db2.gz AVCYWTUYQCIIOL-UHFFFAOYSA-N 0 0 274.286 3.806 10 0 CHAERN CC(C)CCCOc1nc2ccccc2cc1C=O ZINC000020517183 171232906 /nfs/dbraw/zinc/23/29/06/171232906.db2.gz LBHRGTPEQZPEKC-UHFFFAOYSA-N 0 0 257.333 3.862 10 0 CHAERN C[C@@H]1CCC[C@@H](Oc2cccc(Cl)c2CO)C1 ZINC000020517484 171233311 /nfs/dbraw/zinc/23/33/11/171233311.db2.gz MYQQQWTXZHOMNQ-GHMZBOCLSA-N 0 0 254.757 3.790 10 0 CHAERN CCOc1ccc(N[C@@H](C)CC(C)(C)OC)cc1 ZINC000020524212 171237147 /nfs/dbraw/zinc/23/71/47/171237147.db2.gz SCFKHPRHROVXQQ-LBPRGKRZSA-N 0 0 251.370 3.701 10 0 CHAERN c1csc(-c2noc([C@@H]3Cc4ccccc4N3)n2)c1 ZINC000020545839 171243699 /nfs/dbraw/zinc/24/36/99/171243699.db2.gz HACOSAQHTVSZMX-NSHDSACASA-N 0 0 269.329 3.507 10 0 CHAERN Cc1cc(OCc2cccc(C(N)=S)c2)ccc1Cl ZINC000020549205 171246316 /nfs/dbraw/zinc/24/63/16/171246316.db2.gz PGJHFDOKUXLLMF-UHFFFAOYSA-N 0 0 291.803 3.862 10 0 CHAERN Cc1ccc(C)c(OCc2cc(C(N)=S)ccc2F)c1 ZINC000020565564 171254092 /nfs/dbraw/zinc/25/40/92/171254092.db2.gz XROJUCHSAVPHDF-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN Cc1cnn([C@@H](C)c2ccc(C(C)(C)C)cc2)c1N ZINC000020578744 171256838 /nfs/dbraw/zinc/25/68/38/171256838.db2.gz PXWIFIDJPKSTDT-LBPRGKRZSA-N 0 0 257.381 3.681 10 0 CHAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594378 171263444 /nfs/dbraw/zinc/26/34/44/171263444.db2.gz JACHGLCJSCGZJP-WDEREUQCSA-N 0 0 260.280 3.991 10 0 CHAERN CCC(=O)Nc1ccc(C(=O)c2ccc(C)c(C)c2)cc1 ZINC000021004125 171284810 /nfs/dbraw/zinc/28/48/10/171284810.db2.gz QHMVPLADHPHMRD-UHFFFAOYSA-N 0 0 281.355 3.883 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ncccc1C(N)=S ZINC000021008657 171285668 /nfs/dbraw/zinc/28/56/68/171285668.db2.gz AWLJMPHBBZKTMV-DYEKYZERSA-N 0 0 292.448 3.555 10 0 CHAERN CC(C)(C)c1ccccc1Oc1ccc(C(N)=S)cn1 ZINC000021810321 171329069 /nfs/dbraw/zinc/32/90/69/171329069.db2.gz DSSUUHZURGTZGH-UHFFFAOYSA-N 0 0 286.400 3.806 10 0 CHAERN O=C(C1CC1)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000022335698 171385621 /nfs/dbraw/zinc/38/56/21/171385621.db2.gz OGIXYASQERZHTM-SFHVURJKSA-N 0 0 295.357 3.710 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000022331643 171385633 /nfs/dbraw/zinc/38/56/33/171385633.db2.gz UAYPMSVVHQZUJR-QGZVFWFLSA-N 0 0 285.774 3.834 10 0 CHAERN CC(C)[C@@H](NC(=O)c1cc(Cl)ccn1)c1cccs1 ZINC000024383004 171434489 /nfs/dbraw/zinc/43/44/89/171434489.db2.gz AVZSCQZMAZFGRE-CYBMUJFWSA-N 0 0 294.807 3.924 10 0 CHAERN COC(=O)c1cccc(Nc2ccnc3c(F)cccc23)c1 ZINC000026507750 171489138 /nfs/dbraw/zinc/48/91/38/171489138.db2.gz NQTONBGOJXHXCZ-UHFFFAOYSA-N 0 0 296.301 3.904 10 0 CHAERN Cc1cc2cc(C)c(Br)nc2cc1C ZINC000032105000 171697512 /nfs/dbraw/zinc/69/75/12/171697512.db2.gz NJOYTNJDWIWASJ-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN Cc1cc(=O)n(CCc2ccccc2)c2ccccc12 ZINC000032530250 171731808 /nfs/dbraw/zinc/73/18/08/171731808.db2.gz MREIKBJVTKNTDQ-UHFFFAOYSA-N 0 0 263.340 3.553 10 0 CHAERN COc1cccc2c(C)cc(=O)n(Cc3ccccc3F)c12 ZINC000032530810 171732118 /nfs/dbraw/zinc/73/21/18/171732118.db2.gz KDGKFGMJXFZWMH-UHFFFAOYSA-N 0 0 297.329 3.506 10 0 CHAERN Cc1ccnc(NC(=O)/C=C\c2c(F)cccc2Cl)c1 ZINC000033657299 171816572 /nfs/dbraw/zinc/81/65/72/171816572.db2.gz PWGIIPJFYJROPH-WAYWQWQTSA-N 0 0 290.725 3.834 10 0 CHAERN O[C@H](c1ccccc1)c1ccc(F)c(Br)c1 ZINC000034022496 171829314 /nfs/dbraw/zinc/82/93/14/171829314.db2.gz MRRWYCFGAPYUPW-CYBMUJFWSA-N 0 0 281.124 3.670 10 0 CHAERN Cc1c(Cl)ncnc1N[C@@H](C)c1cccs1 ZINC000034766862 171866107 /nfs/dbraw/zinc/86/61/07/171866107.db2.gz QMTTZZNGXQKTFK-QMMMGPOBSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)NC(=O)CS2)c1ccccc1 ZINC000035019525 171937641 /nfs/dbraw/zinc/93/76/41/171937641.db2.gz FRODRQSEOGTSFC-LLVKDONJSA-N 0 0 284.384 3.904 10 0 CHAERN CCCCNc1ccc(I)cc1C ZINC000035022257 171941789 /nfs/dbraw/zinc/94/17/89/171941789.db2.gz LPMWYXSKMXQREA-UHFFFAOYSA-N 0 0 289.160 3.812 10 0 CHAERN COc1cccc(COc2ccc(C)cc2C(C)=O)c1 ZINC000035100215 171977911 /nfs/dbraw/zinc/97/79/11/171977911.db2.gz LADHEAHHSFDDDP-UHFFFAOYSA-N 0 0 270.328 3.785 10 0 CHAERN CCc1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134647 172001451 /nfs/dbraw/zinc/00/14/51/172001451.db2.gz PWWDNVHUJJJOQW-UHFFFAOYSA-N 0 0 264.328 3.983 10 0 CHAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1F ZINC000035134646 172001843 /nfs/dbraw/zinc/00/18/43/172001843.db2.gz BPHLOEHZMTWRJK-UHFFFAOYSA-N 0 0 268.291 3.868 10 0 CHAERN FC(F)(F)c1ccc(OCc2nnsc2Cl)cc1 ZINC000035163655 172024930 /nfs/dbraw/zinc/02/49/30/172024930.db2.gz JXXHUIPJOSTFOX-UHFFFAOYSA-N 0 0 294.685 3.789 10 0 CHAERN Cc1ccc(C(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000035181753 172035582 /nfs/dbraw/zinc/03/55/82/172035582.db2.gz ALIJXDVUYDSMSC-UHFFFAOYSA-N 0 0 266.340 3.745 10 0 CHAERN CCOc1ccc(C(=O)CS[C@H](C)CC)cc1 ZINC000035182557 172036177 /nfs/dbraw/zinc/03/61/77/172036177.db2.gz HGJIYHKJBSASEW-LLVKDONJSA-N 0 0 252.379 3.800 10 0 CHAERN CCc1ccc(OCC(=O)c2ccccc2F)cc1 ZINC000035182922 172036696 /nfs/dbraw/zinc/03/66/96/172036696.db2.gz DEYSZZPJEUHZAS-UHFFFAOYSA-N 0 0 258.292 3.650 10 0 CHAERN CCn1c(C)cc(C(=O)COc2ccc(C)cc2)c1C ZINC000035183626 172037058 /nfs/dbraw/zinc/03/70/58/172037058.db2.gz DFKOWUDNSHAVPK-UHFFFAOYSA-N 0 0 271.360 3.695 10 0 CHAERN Cc1ccccc1OCC(=O)c1cc(F)ccc1F ZINC000035183775 172037469 /nfs/dbraw/zinc/03/74/69/172037469.db2.gz ODNCNZHKRJPKLU-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN Cc1ccccc1OCC(=O)c1ccc(F)c(F)c1 ZINC000035183773 172037533 /nfs/dbraw/zinc/03/75/33/172037533.db2.gz HWXMUTFCFXPWOJ-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000035183748 172037551 /nfs/dbraw/zinc/03/75/51/172037551.db2.gz GATKMVBWZRIUAI-UHFFFAOYSA-N 0 0 266.749 3.972 10 0 CHAERN COc1ccc(OCC(=O)c2c(C)cc(C)cc2C)cc1 ZINC000035184151 172038237 /nfs/dbraw/zinc/03/82/37/172038237.db2.gz AGLKRWPXSRPRAO-UHFFFAOYSA-N 0 0 284.355 3.882 10 0 CHAERN C[C@H](O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000035199377 172044463 /nfs/dbraw/zinc/04/44/63/172044463.db2.gz AASOKRJMXSBNRD-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@@H]1CCCN(c2n[nH]c(=S)n2C2CCCCC2)C1 ZINC000035222051 172065109 /nfs/dbraw/zinc/06/51/09/172065109.db2.gz UWHAJKNBLNWNEY-LLVKDONJSA-N 0 0 280.441 3.682 10 0 CHAERN Nc1cccc(OCc2ccc(Br)cc2F)c1 ZINC000035284923 172103785 /nfs/dbraw/zinc/10/37/85/172103785.db2.gz XXIKGSDQWUDGPT-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN CCCS(=O)(=O)c1ccc(NCc2cccs2)cc1 ZINC000035348379 172141999 /nfs/dbraw/zinc/14/19/99/172141999.db2.gz QHYUJJGPQGDXKE-UHFFFAOYSA-N 0 0 295.429 3.544 10 0 CHAERN COc1ccc(Br)cc1C(=O)c1cccs1 ZINC000035369371 172160821 /nfs/dbraw/zinc/16/08/21/172160821.db2.gz VJVJHDBFULXPEM-UHFFFAOYSA-N 0 0 297.173 3.750 10 0 CHAERN COc1ccc2[nH]cc(C(=O)c3sccc3C)c2c1 ZINC000035369517 172161734 /nfs/dbraw/zinc/16/17/34/172161734.db2.gz JVTFAQKTKGMLJQ-UHFFFAOYSA-N 0 0 271.341 3.777 10 0 CHAERN COc1ccc(C(=O)c2ccc(Br)o2)cc1C ZINC000035379466 172162227 /nfs/dbraw/zinc/16/22/27/172162227.db2.gz LCXXVDGPWJADFD-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN CN[C@H](c1ccc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035468040 172217099 /nfs/dbraw/zinc/21/70/99/172217099.db2.gz UFFZNCNQDWQANN-SNVBAGLBSA-N 0 0 267.241 3.762 10 0 CHAERN CCN[C@@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000035545292 172253493 /nfs/dbraw/zinc/25/34/93/172253493.db2.gz FXELNAMCHWTELW-ZETCQYMHSA-N 0 0 259.243 3.596 10 0 CHAERN Brc1cccc(-c2ncc3ccccn32)c1 ZINC000035576679 172273749 /nfs/dbraw/zinc/27/37/49/172273749.db2.gz DLSOIHWQXZPYSF-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN C[C@@H](O)c1ccc(OCc2ccc3ncccc3c2)cc1 ZINC000035626276 172305847 /nfs/dbraw/zinc/30/58/47/172305847.db2.gz IIQNDYHNSVYIHX-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN C[C@@H](O)c1ccc2ccccc2c1OCC(F)(F)F ZINC000035628026 172306732 /nfs/dbraw/zinc/30/67/32/172306732.db2.gz XXCBOXOBDYOGMN-SECBINFHSA-N 0 0 270.250 3.834 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N1c2ccccc2C[C@@H]1C ZINC000035631256 172313349 /nfs/dbraw/zinc/31/33/49/172313349.db2.gz PDHJTGMZWLORCH-NWDGAFQWSA-N 0 0 271.335 3.962 10 0 CHAERN C[C@H](O)c1c(F)cccc1N1CCCCCCC1 ZINC000035631502 172313535 /nfs/dbraw/zinc/31/35/35/172313535.db2.gz MFHVBKFAAOVKRB-LBPRGKRZSA-N 0 0 251.345 3.650 10 0 CHAERN C[C@@H](O)c1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000035631302 172313785 /nfs/dbraw/zinc/31/37/85/172313785.db2.gz OJMCMOKTGJDBCI-LLVKDONJSA-N 0 0 251.345 3.648 10 0 CHAERN COc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1 ZINC000035632369 172314729 /nfs/dbraw/zinc/31/47/29/172314729.db2.gz NMYRZCGGHQHGDE-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1ccccc1F ZINC000035632185 172314755 /nfs/dbraw/zinc/31/47/55/172314755.db2.gz JVJXCITZCDAPCW-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COCCc1ccc(Oc2cccc(F)c2[C@@H](C)O)cc1 ZINC000035632554 172315494 /nfs/dbraw/zinc/31/54/94/172315494.db2.gz JTBRWDXZFCJCON-GFCCVEGCSA-N 0 0 290.334 3.860 10 0 CHAERN Cc1c(N)cccc1COc1ccc(Br)cc1 ZINC000035649358 172325236 /nfs/dbraw/zinc/32/52/36/172325236.db2.gz VONWVUFVXISMPY-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN CCOc1ccc(Oc2ccccc2[C@@H](C)O)cc1 ZINC000035650637 172326530 /nfs/dbraw/zinc/32/65/30/172326530.db2.gz AEHAYZUZKPTCPI-GFCCVEGCSA-N 0 0 258.317 3.931 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)c1cc(N)ccc1F ZINC000035651442 172327612 /nfs/dbraw/zinc/32/76/12/172327612.db2.gz YEALWAGPJQPYDC-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN COC(=O)CCOc1cc(C)c(Cl)cc1C(C)C ZINC000035663470 172342109 /nfs/dbraw/zinc/34/21/09/172342109.db2.gz QGBWJPFBZBRULR-UHFFFAOYSA-N 0 0 270.756 3.714 10 0 CHAERN CN(Cc1cccs1)c1ccc2scnc2c1N ZINC000035716825 172370900 /nfs/dbraw/zinc/37/09/00/172370900.db2.gz BKCJTMUQDYUYFA-UHFFFAOYSA-N 0 0 275.402 3.576 10 0 CHAERN C[C@H](O)c1ccc(N(C)Cc2cccs2)c(F)c1 ZINC000035717897 172372384 /nfs/dbraw/zinc/37/23/84/172372384.db2.gz DHNABBXHKWSTTP-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN C[C@@H](c1cccs1)N1C(=S)N=NC1c1cccs1 ZINC000035737188 172390249 /nfs/dbraw/zinc/39/02/49/172390249.db2.gz RIYOGCWQEHKEQX-QMMMGPOBSA-N 0 0 293.442 3.966 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1cccs1 ZINC000035737194 172390829 /nfs/dbraw/zinc/39/08/29/172390829.db2.gz JCYSZTSZRCDHLF-QMMMGPOBSA-N 0 0 253.396 3.735 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738859 172392702 /nfs/dbraw/zinc/39/27/02/172392702.db2.gz NYCZWGNTBCYXDK-NXEZZACHSA-N 0 0 251.276 3.970 10 0 CHAERN COC(=O)[C@H](C)CNc1cc(Cl)c(Cl)cc1Cl ZINC000035757699 172397764 /nfs/dbraw/zinc/39/77/64/172397764.db2.gz YJEGFOFVCLTOJQ-ZCFIWIBFSA-N 0 0 296.581 3.868 10 0 CHAERN O=Cc1cc(Cl)cc(Cl)c1OC[C@@H]1CCCCO1 ZINC000036231054 172528149 /nfs/dbraw/zinc/52/81/49/172528149.db2.gz LRXMKXSPOQUUFJ-NSHDSACASA-N 0 0 289.158 3.754 10 0 CHAERN CCCN(CCC)c1cc(Br)ccc1CO ZINC000036670777 172648482 /nfs/dbraw/zinc/64/84/82/172648482.db2.gz YVISYWYWJVTHNV-UHFFFAOYSA-N 0 0 286.213 3.568 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1SC[C@@H]1CCCO1 ZINC000036722590 172660064 /nfs/dbraw/zinc/66/00/64/172660064.db2.gz ZESMQSCFQIQHQG-VIFPVBQESA-N 0 0 277.311 3.559 10 0 CHAERN Nc1onc(C2CC2)c1-c1cccc(Br)c1 ZINC000036766009 172684794 /nfs/dbraw/zinc/68/47/94/172684794.db2.gz DCTCVHJBIUYQHY-UHFFFAOYSA-N 0 0 279.137 3.564 10 0 CHAERN C[C@H]1[C@H](Nc2ncnc3sccc32)CCC[C@@H]1C ZINC000036803842 172720839 /nfs/dbraw/zinc/72/08/39/172720839.db2.gz KJKGZFGMGMXKSX-HOSYDEDBSA-N 0 0 261.394 3.928 10 0 CHAERN O=C(CSc1ccccc1F)c1cc(F)ccc1O ZINC000036882278 172778744 /nfs/dbraw/zinc/77/87/44/172778744.db2.gz JVHUPIWGQQXXRT-UHFFFAOYSA-N 0 0 280.295 3.645 10 0 CHAERN CN(C)c1ccc2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000036912755 172799784 /nfs/dbraw/zinc/79/97/84/172799784.db2.gz LCDDQNIHOUNXPS-UHFFFAOYSA-N 0 0 274.673 3.973 10 0 CHAERN CCCc1noc(N)c1-c1ccc(Br)cc1 ZINC000036936678 172815686 /nfs/dbraw/zinc/81/56/86/172815686.db2.gz DDLJGNZALCQCSJ-UHFFFAOYSA-N 0 0 281.153 3.639 10 0 CHAERN Cc1ccc(OCc2c(N)cccc2Br)cc1 ZINC000036964685 172832826 /nfs/dbraw/zinc/83/28/26/172832826.db2.gz WVBTWYNPPLUIHY-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN O=C1Cc2cc(NCC3CCCCC3)c(Cl)cc2N1 ZINC000036990704 172853578 /nfs/dbraw/zinc/85/35/78/172853578.db2.gz MGNGHXKQQSVULO-UHFFFAOYSA-N 0 0 278.783 3.827 10 0 CHAERN Cc1nc(-c2cccc(NC[C@@H]3CCOC3)c2)cs1 ZINC000037047265 172913787 /nfs/dbraw/zinc/91/37/87/172913787.db2.gz LFXKGLQCZHAOEP-LBPRGKRZSA-N 0 0 274.389 3.567 10 0 CHAERN COc1ncccc1N[C@@H](C)CCc1ccccc1 ZINC000037070667 172931868 /nfs/dbraw/zinc/93/18/68/172931868.db2.gz SRUVBKKLXDTGSB-ZDUSSCGKSA-N 0 0 256.349 3.523 10 0 CHAERN CCOc1nc(Sc2ccc(C)cc2C)ccc1N ZINC000037077836 172935007 /nfs/dbraw/zinc/93/50/07/172935007.db2.gz YFAMRZWJLMRZNU-UHFFFAOYSA-N 0 0 274.389 3.831 10 0 CHAERN CCCCC[C@H](C)Nc1ccccc1C(=O)N(C)C ZINC000037124612 172970657 /nfs/dbraw/zinc/97/06/57/172970657.db2.gz TYGZFHVKOHVEDS-ZDUSSCGKSA-N 0 0 262.397 3.769 10 0 CHAERN Nc1cnccc1SCCSc1ccc(F)cc1 ZINC000037189661 173018783 /nfs/dbraw/zinc/01/87/83/173018783.db2.gz DLOPIWFTHQACJI-UHFFFAOYSA-N 0 0 280.393 3.687 10 0 CHAERN CCc1ccc(CSc2ccncc2N)s1 ZINC000037190231 173019806 /nfs/dbraw/zinc/01/98/06/173019806.db2.gz UIUPJVDFIYJVAB-UHFFFAOYSA-N 0 0 250.392 3.580 10 0 CHAERN Nc1ccc(SCc2cccc3cccnc32)nc1 ZINC000037191778 173021517 /nfs/dbraw/zinc/02/15/17/173021517.db2.gz XYKKBDXFWGBZDV-UHFFFAOYSA-N 0 0 267.357 3.504 10 0 CHAERN C1=C[C@H]2C[C@@H]1C[C@@H]2CNc1cccc2ncccc21 ZINC000037197875 173024729 /nfs/dbraw/zinc/02/47/29/173024729.db2.gz ZSNXJXHKWXKILI-HZSPNIEDSA-N 0 0 250.345 3.859 10 0 CHAERN COc1cccc(-c2nc3cc(C)ccc3s2)c1O ZINC000037205965 173027533 /nfs/dbraw/zinc/02/75/33/173027533.db2.gz XFTVQDKZRDDAHP-UHFFFAOYSA-N 0 0 271.341 3.986 10 0 CHAERN Nc1cccc(NC(=O)OCc2ccccc2Cl)c1 ZINC000037222842 173043247 /nfs/dbraw/zinc/04/32/47/173043247.db2.gz BHCFKRMSSTYXFR-UHFFFAOYSA-N 0 0 276.723 3.671 10 0 CHAERN CCC(C)(C)NC(=O)c1cc(Cl)nc2ccccc21 ZINC000037295539 173099409 /nfs/dbraw/zinc/09/94/09/173099409.db2.gz VKJZNZGENRSVFP-UHFFFAOYSA-N 0 0 276.767 3.807 10 0 CHAERN CCOC(=O)c1ccccc1NCc1ccccc1C ZINC000037301763 173107020 /nfs/dbraw/zinc/10/70/20/173107020.db2.gz GQVQLAHGEJTTJP-UHFFFAOYSA-N 0 0 269.344 3.784 10 0 CHAERN CCCC[C@H](C)Nc1ccccc1S(=O)(=O)C(F)F ZINC000037304690 173109736 /nfs/dbraw/zinc/10/97/36/173109736.db2.gz KBFWVUJRMAWFMO-JTQLQIEISA-N 0 0 291.363 3.674 10 0 CHAERN CCOc1cc(Cl)c([C@H](N)C(F)(F)F)cc1OCC ZINC000037332880 173133908 /nfs/dbraw/zinc/13/39/08/173133908.db2.gz ZPGRRHGEGNERKX-NSHDSACASA-N 0 0 297.704 3.700 10 0 CHAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccc(F)cc2)cc1 ZINC000037348834 173143874 /nfs/dbraw/zinc/14/38/74/173143874.db2.gz DKBPCYVIPIQTMA-UHFFFAOYSA-N 0 0 267.307 3.773 10 0 CHAERN Cc1ccoc1-c1noc(N)c1-c1cccc(F)c1 ZINC000037350726 173144791 /nfs/dbraw/zinc/14/47/91/173144791.db2.gz VHTWKCHQCNEQSS-UHFFFAOYSA-N 0 0 258.252 3.631 10 0 CHAERN COc1cc(C(=O)c2ccc(C)c(C)c2)ccc1C ZINC000037363139 173151470 /nfs/dbraw/zinc/15/14/70/173151470.db2.gz OPZRFIXHVDCZID-UHFFFAOYSA-N 0 0 254.329 3.851 10 0 CHAERN CCOc1cc(Cl)c(C(=O)C2CC2)cc1OCC ZINC000037364833 173153670 /nfs/dbraw/zinc/15/36/70/173153670.db2.gz DMOSLBOBAOUYMC-UHFFFAOYSA-N 0 0 268.740 3.730 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1N ZINC000037377584 173166340 /nfs/dbraw/zinc/16/63/40/173166340.db2.gz WKFIYRLQTHBOQD-AAEUAGOBSA-N 0 0 255.365 3.808 10 0 CHAERN CN(Cc1cccc(F)c1)Cc1cc(N)ccc1Cl ZINC000037403085 173179649 /nfs/dbraw/zinc/17/96/49/173179649.db2.gz ZFLRIIFSUXGGMX-UHFFFAOYSA-N 0 0 278.758 3.693 10 0 CHAERN CCCc1cc(Cl)nc(-c2ccccc2OC)n1 ZINC000037409133 173185766 /nfs/dbraw/zinc/18/57/66/173185766.db2.gz JCAGKIDPWSKLKA-UHFFFAOYSA-N 0 0 262.740 3.758 10 0 CHAERN CC[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037418538 173196530 /nfs/dbraw/zinc/19/65/30/173196530.db2.gz YAVDXBWYNVFMGE-GFCCVEGCSA-N 0 0 290.190 3.899 10 0 CHAERN CC(C)c1nc([C@H](N)c2cc(Cl)cc(Cl)c2)no1 ZINC000037425131 173198868 /nfs/dbraw/zinc/19/88/68/173198868.db2.gz DGJWEEHRVBSKIU-SNVBAGLBSA-N 0 0 286.162 3.548 10 0 CHAERN Cc1nn(C)c(C)c1NCc1cc(Cl)cc(Cl)c1 ZINC000037423643 173199054 /nfs/dbraw/zinc/19/90/54/173199054.db2.gz XXZAXYJNCFWWOR-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN CCC[C@](O)(c1ccccc1)c1cccc(OC)c1 ZINC000037529339 173252760 /nfs/dbraw/zinc/25/27/60/173252760.db2.gz SOFCVANVMYLRFL-KRWDZBQOSA-N 0 0 256.345 3.731 10 0 CHAERN COc1ccc([C@H](O)Cc2ccccc2Cl)cc1 ZINC000037532042 173253339 /nfs/dbraw/zinc/25/33/39/173253339.db2.gz CNFZYXQODZLITJ-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000037532301 173253790 /nfs/dbraw/zinc/25/37/90/173253790.db2.gz NZMABTJKENWWTP-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN Cn1ccc(N[C@H](c2ccco2)c2ccc(Cl)s2)n1 ZINC000037560775 173271382 /nfs/dbraw/zinc/27/13/82/173271382.db2.gz FGQNLJAWUJDEFI-CYBMUJFWSA-N 0 0 293.779 3.930 10 0 CHAERN CCCCCN(C)c1ccc(N)cc1C(F)(F)F ZINC000037754530 173678200 /nfs/dbraw/zinc/67/82/00/173678200.db2.gz CUTBBTAJBVHDEP-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc2nccnc2c1 ZINC000037773036 173705393 /nfs/dbraw/zinc/70/53/93/173705393.db2.gz DDIXCYVMHUIHJK-HBBFGDNQSA-N 0 0 255.365 3.866 10 0 CHAERN CC(C)[C@@H](C)Nc1cc(Cl)ccc1-n1cccn1 ZINC000037774404 173706948 /nfs/dbraw/zinc/70/69/48/173706948.db2.gz BRYPNUFVMCHOTI-LLVKDONJSA-N 0 0 263.772 3.982 10 0 CHAERN NC(=S)c1ccccc1COc1ccc(F)cc1Cl ZINC000037902236 173833473 /nfs/dbraw/zinc/83/34/73/173833473.db2.gz JKFYMCOMIZISII-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN CCN[C@H](CC(F)(F)F)c1c(F)cc(OC)cc1F ZINC000037903659 173835397 /nfs/dbraw/zinc/83/53/97/173835397.db2.gz WVIJYOKGXFZEMB-SNVBAGLBSA-N 0 0 283.240 3.576 10 0 CHAERN C[C@@H](Nc1ccccc1SC(F)F)c1cc[nH]n1 ZINC000037906442 173839060 /nfs/dbraw/zinc/83/90/60/173839060.db2.gz XZGFMUSQXNQPTM-MRVPVSSYSA-N 0 0 269.320 3.898 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2C)CCCC[C@H]1C ZINC000037954610 173896050 /nfs/dbraw/zinc/89/60/50/173896050.db2.gz NAXJZCANZFZTTI-CJNGLKHVSA-N 0 0 261.365 3.529 10 0 CHAERN COC(=O)[C@@](C)(CC(C)C)Nc1cccc(Cl)c1 ZINC000037955584 173897608 /nfs/dbraw/zinc/89/76/08/173897608.db2.gz DKABUWRTJXFECC-CQSZACIVSA-N 0 0 269.772 3.730 10 0 CHAERN CCOC(=O)[C@@H](NC1CCCC1)c1c(F)cccc1Cl ZINC000037970828 173921878 /nfs/dbraw/zinc/92/18/78/173921878.db2.gz CRVNXKLBVYWLTR-AWEZNQCLSA-N 0 0 299.773 3.616 10 0 CHAERN FC(F)(F)CNCCc1cccc2ccccc21 ZINC000037973946 173928148 /nfs/dbraw/zinc/92/81/48/173928148.db2.gz QJNCHEJWDVUJQA-UHFFFAOYSA-N 0 0 253.267 3.534 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2c[nH]c3ccccc32)o1 ZINC000037976939 173932659 /nfs/dbraw/zinc/93/26/59/173932659.db2.gz YULGOLIDESWVJC-NSHDSACASA-N 0 0 268.316 3.560 10 0 CHAERN CCCOc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000037977876 173934964 /nfs/dbraw/zinc/93/49/64/173934964.db2.gz ZFKUTQSMLHNNCY-UHFFFAOYSA-N 0 0 264.712 3.711 10 0 CHAERN CCCCc1ccc([C@@H](C)NCc2nc(C)no2)cc1 ZINC000038034316 174032864 /nfs/dbraw/zinc/03/28/64/174032864.db2.gz UJZGHWVBGPOXQR-GFCCVEGCSA-N 0 0 273.380 3.571 10 0 CHAERN Cc1ccc(F)c(Nc2c(F)cc(N)cc2F)c1 ZINC000038040030 174040215 /nfs/dbraw/zinc/04/02/15/174040215.db2.gz NBBVRWRZSVLRRY-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN Nc1cc(F)c(Nc2ccc(F)c(F)c2)c(F)c1 ZINC000038039994 174040250 /nfs/dbraw/zinc/04/02/50/174040250.db2.gz UOSJQWHVOROKDW-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)n2cc(Cl)cn2)cc1C ZINC000038053822 174065420 /nfs/dbraw/zinc/06/54/20/174065420.db2.gz VKHGVOFJZCZRQD-NSHDSACASA-N 0 0 262.740 3.597 10 0 CHAERN Fc1ccc(COc2cccc3c2NCCC3)cc1 ZINC000038056316 174067759 /nfs/dbraw/zinc/06/77/59/174067759.db2.gz QBDAPRUUEHGZIV-UHFFFAOYSA-N 0 0 257.308 3.763 10 0 CHAERN CCCN[C@H](c1ccc2c(c1)CCCO2)C(F)(F)F ZINC000038058235 174069019 /nfs/dbraw/zinc/06/90/19/174069019.db2.gz TZCOEQRCPITLRI-CYBMUJFWSA-N 0 0 273.298 3.615 10 0 CHAERN CCOC(=O)[C@]1(N[C@H](C)CC)C[C@H](C)CC(C)(C)C1 ZINC000038067814 174080103 /nfs/dbraw/zinc/08/01/03/174080103.db2.gz POGWFPWQSSQOIV-IOASZLSFSA-N 0 0 269.429 3.523 10 0 CHAERN CCOc1ccc(-c2ccc(N)cc2)cc1OCC ZINC000038069096 174081123 /nfs/dbraw/zinc/08/11/23/174081123.db2.gz VJSGAUQATGESDN-UHFFFAOYSA-N 0 0 257.333 3.733 10 0 CHAERN Cc1cc(C)cc(COc2ccc([C@@H](C)O)cc2)c1 ZINC000038076899 174087633 /nfs/dbraw/zinc/08/76/33/174087633.db2.gz HLRMOYGOZSWECA-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN O=C(CCOc1ccccc1)c1ccccc1Cl ZINC000038078352 174088883 /nfs/dbraw/zinc/08/88/83/174088883.db2.gz UTGJAOJXGALPHZ-UHFFFAOYSA-N 0 0 260.720 3.992 10 0 CHAERN FC(F)(F)c1ccccc1Oc1ccc(Cl)nn1 ZINC000038082196 174091368 /nfs/dbraw/zinc/09/13/68/174091368.db2.gz ZLJJCJKKOMBVCO-UHFFFAOYSA-N 0 0 274.629 3.941 10 0 CHAERN O=NN1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12 ZINC000039214205 174166368 /nfs/dbraw/zinc/16/63/68/174166368.db2.gz NNJRHUFLMMOXCG-KRWDZBQOSA-N 0 0 294.354 3.779 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)C(Cl)(Cl)Cl ZINC000039761936 174172602 /nfs/dbraw/zinc/17/26/02/174172602.db2.gz QRZAHNPYEHHZJW-UHFFFAOYSA-N 0 0 286.973 3.957 10 0 CHAERN CCCCc1ccc(C(=O)OC)cc1Br ZINC000039951888 174176199 /nfs/dbraw/zinc/17/61/99/174176199.db2.gz CXVMYUSXBIHDNX-UHFFFAOYSA-N 0 0 271.154 3.578 10 0 CHAERN CCOc1cc(Br)cc2cc(C(C)=O)oc21 ZINC000040175357 174201163 /nfs/dbraw/zinc/20/11/63/174201163.db2.gz NKLHAJADPAUAKV-UHFFFAOYSA-N 0 0 283.121 3.797 10 0 CHAERN O[C@H](c1ccsc1)c1ccc(Br)cc1 ZINC000040243457 174214315 /nfs/dbraw/zinc/21/43/15/174214315.db2.gz HLWDSQLHKLKYOX-NSHDSACASA-N 0 0 269.163 3.592 10 0 CHAERN Nc1ccccc1OC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000040352207 174245128 /nfs/dbraw/zinc/24/51/28/174245128.db2.gz ASSHBWQSZYEURI-ZDUSSCGKSA-N 0 0 298.169 3.688 10 0 CHAERN Cc1ccc(OC[C@@H](O)c2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000040352454 174245153 /nfs/dbraw/zinc/24/51/53/174245153.db2.gz JZJLTBNXNBVOMR-QGZVFWFLSA-N 0 0 299.414 3.987 10 0 CHAERN CCc1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409791 174254498 /nfs/dbraw/zinc/25/44/98/174254498.db2.gz FJKZWNYGFIRMGD-UHFFFAOYSA-N 0 0 260.724 3.893 10 0 CHAERN COCc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417603 174256054 /nfs/dbraw/zinc/25/60/54/174256054.db2.gz CTBVVURDYKGNGQ-UHFFFAOYSA-N 0 0 286.297 3.858 10 0 CHAERN C[C@H](O)c1cc2c(cccc2OCc2ccccc2)[nH]1 ZINC000040433884 174261318 /nfs/dbraw/zinc/26/13/18/174261318.db2.gz BITKWXSLPTZMHO-LBPRGKRZSA-N 0 0 267.328 3.800 10 0 CHAERN CCNc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040707347 174379333 /nfs/dbraw/zinc/37/93/33/174379333.db2.gz SZBJVXDVVRGFNO-UHFFFAOYSA-N 0 0 298.177 3.541 10 0 CHAERN Nc1c(NC2CCCCC2)ncnc1NC1CCCCC1 ZINC000040708396 174380155 /nfs/dbraw/zinc/38/01/55/174380155.db2.gz YZBXHVHSSUDFAQ-UHFFFAOYSA-N 0 0 289.427 3.548 10 0 CHAERN CN(c1ncc(Br)cc1N)C1CCCCCC1 ZINC000040713818 174382067 /nfs/dbraw/zinc/38/20/67/174382067.db2.gz SXYYVHVIJHKQNR-UHFFFAOYSA-N 0 0 298.228 3.585 10 0 CHAERN CC(C)Oc1ncnc(Oc2ccc(C(C)C)cc2)c1N ZINC000040727497 174387992 /nfs/dbraw/zinc/38/79/92/174387992.db2.gz ATNNJINRJQDFBA-UHFFFAOYSA-N 0 0 287.363 3.762 10 0 CHAERN COc1ccccc1C[C@@H](O)c1ccccc1Cl ZINC000040907311 174430927 /nfs/dbraw/zinc/43/09/27/174430927.db2.gz VRNSMZKKQIJQQV-CQSZACIVSA-N 0 0 262.736 3.625 10 0 CHAERN CC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000041005684 174448258 /nfs/dbraw/zinc/44/82/58/174448258.db2.gz WTLWGTNNSDCCNL-UHFFFAOYSA-N 0 0 274.320 3.713 10 0 CHAERN O=C(Nc1ccnc2cc(Cl)ccc21)c1ccccn1 ZINC000041057778 174465537 /nfs/dbraw/zinc/46/55/37/174465537.db2.gz YOPQAXUZIXIOGJ-UHFFFAOYSA-N 0 0 283.718 3.536 10 0 CHAERN Nc1ccc(-c2nnc(-c3cccc(F)c3)s2)cc1 ZINC000041166439 174504518 /nfs/dbraw/zinc/50/45/18/174504518.db2.gz YJKDZMZGZHCKEJ-UHFFFAOYSA-N 0 0 271.320 3.593 10 0 CHAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000041307746 174516512 /nfs/dbraw/zinc/51/65/12/174516512.db2.gz NRXPVCCREQROLS-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN COc1ccccc1OCCn1ccc2ccccc21 ZINC000041385235 174542159 /nfs/dbraw/zinc/54/21/59/174542159.db2.gz MFTQNRXHGKUYGK-UHFFFAOYSA-N 0 0 267.328 3.729 10 0 CHAERN COc1ncccc1N[C@H](c1cccs1)C1CC1 ZINC000042330552 174687054 /nfs/dbraw/zinc/68/70/54/174687054.db2.gz SAHZVCVTJURFEM-ZDUSSCGKSA-N 0 0 260.362 3.715 10 0 CHAERN CC(=O)c1ccc(N(CC(C)C)C(C)C)c(F)c1 ZINC000042584512 174807474 /nfs/dbraw/zinc/80/74/74/174807474.db2.gz VXLCOLYUQNIMRB-UHFFFAOYSA-N 0 0 251.345 3.899 10 0 CHAERN CC[C@H](C(C)C)N1C(=S)N=NC1c1cccs1 ZINC000042591634 174812031 /nfs/dbraw/zinc/81/20/31/174812031.db2.gz IAQBFARHUHHJTA-SECBINFHSA-N 0 0 267.423 3.902 10 0 CHAERN C[C@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1N ZINC000042602995 174817525 /nfs/dbraw/zinc/81/75/25/174817525.db2.gz ZIGIHVFDPFXLTN-GXFFZTMASA-N 0 0 252.789 3.937 10 0 CHAERN CC(=O)c1ccc(N(C)[C@@H](C)C(C)(C)C)c(F)c1 ZINC000042768112 174870055 /nfs/dbraw/zinc/87/00/55/174870055.db2.gz RMHWTTOMRMICBB-NSHDSACASA-N 0 0 251.345 3.899 10 0 CHAERN CC(C)CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042852241 174892108 /nfs/dbraw/zinc/89/21/08/174892108.db2.gz ZNFQIWGJBIHWKP-WDEREUQCSA-N 0 0 265.319 3.660 10 0 CHAERN C/C(=C\c1cc(Cl)ccc1OC(F)F)[N+](=O)[O-] ZINC000042905681 174907754 /nfs/dbraw/zinc/90/77/54/174907754.db2.gz OLWZOCJQTVRTHH-GQCTYLIASA-N 0 0 263.627 3.579 10 0 CHAERN COC(=O)c1ccc(NCc2cccc(C)c2C)cc1 ZINC000043304831 175003279 /nfs/dbraw/zinc/00/32/79/175003279.db2.gz DMUCKOYFKIRGHC-UHFFFAOYSA-N 0 0 269.344 3.702 10 0 CHAERN C[C@@](O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000043368176 175027501 /nfs/dbraw/zinc/02/75/01/175027501.db2.gz ADLOQPOIMVVTIB-MRVPVSSYSA-N 0 0 259.054 3.763 10 0 CHAERN CC(=O)Nc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476804 175054812 /nfs/dbraw/zinc/05/48/12/175054812.db2.gz PETRNADWHBOSQO-UHFFFAOYSA-N 0 0 290.750 3.616 10 0 CHAERN Oc1ccc(CNc2cccnc2Cl)cc1Cl ZINC000043478429 175055212 /nfs/dbraw/zinc/05/52/12/175055212.db2.gz LAVRKUPOQRYXPL-UHFFFAOYSA-N 0 0 269.131 3.706 10 0 CHAERN O[C@H]1c2ccccc2CC[C@@H]1Cc1cccc(F)c1 ZINC000043659556 175085735 /nfs/dbraw/zinc/08/57/35/175085735.db2.gz RFXUSPQZOHVGEL-RHSMWYFYSA-N 0 0 256.320 3.664 10 0 CHAERN Cc1nn(Cc2cccc3ccccc32)c(N)c1Cl ZINC000043667266 175086526 /nfs/dbraw/zinc/08/65/26/175086526.db2.gz NYBKEGCSFSVGHL-UHFFFAOYSA-N 0 0 271.751 3.629 10 0 CHAERN Cc1nn(Cc2sccc2Br)c(C)c1C ZINC000043679002 175089860 /nfs/dbraw/zinc/08/98/60/175089860.db2.gz MVGHQOLRXAXJNW-UHFFFAOYSA-N 0 0 285.210 3.681 10 0 CHAERN Brc1ccc(COC[C@@H]2CCCCO2)s1 ZINC000043679497 175090162 /nfs/dbraw/zinc/09/01/62/175090162.db2.gz NSCNRJIUDNPKQX-VIFPVBQESA-N 0 0 291.210 3.596 10 0 CHAERN CCN(C[C@@H](O)c1cc(C)ccc1C)c1ccccc1 ZINC000044122061 175143207 /nfs/dbraw/zinc/14/32/07/175143207.db2.gz QUDHYDCEOVPJHL-GOSISDBHSA-N 0 0 269.388 3.863 10 0 CHAERN Cc1ccc([C@@H]2CC(=O)c3ccc(F)cc3O2)cc1 ZINC000045356833 175362212 /nfs/dbraw/zinc/36/22/12/175362212.db2.gz QNQXLNDULBVXEX-HNNXBMFYSA-N 0 0 256.276 3.841 10 0 in-vivo CHAERN CCc1nn(-c2ccccc2)c(NC(=O)c2ccoc2)c1C ZINC000055165741 175572321 /nfs/dbraw/zinc/57/23/21/175572321.db2.gz CJCJRCYROURBTQ-UHFFFAOYSA-N 0 0 295.342 3.588 10 0 CHAERN CCC(CC)C(=O)N1CC(OCc2ccccc2Cl)C1 ZINC000064665935 175697185 /nfs/dbraw/zinc/69/71/85/175697185.db2.gz YPIKZIHFIGFMSX-UHFFFAOYSA-N 0 0 295.810 3.504 10 0 CHAERN CC(C)(C)OC(=O)Nc1ccc(-c2ncccc2O)cc1 ZINC000065339684 175709842 /nfs/dbraw/zinc/70/98/42/175709842.db2.gz WAQXYJWAPCRRPY-UHFFFAOYSA-N 0 0 286.331 3.801 10 0 CHAERN COC(=O)c1ccc(-c2ccc(OC)c(O)c2)cc1Cl ZINC000065342906 175712778 /nfs/dbraw/zinc/71/27/78/175712778.db2.gz UXEVBUKYFLLDPM-UHFFFAOYSA-N 0 0 292.718 3.508 10 0 CHAERN O=c1cc[nH]c(-c2ccccc2OCc2ccccc2)c1 ZINC000065356130 175721443 /nfs/dbraw/zinc/72/14/43/175721443.db2.gz CBWHIBKXQZSKMH-UHFFFAOYSA-N 0 0 277.323 3.621 10 0 CHAERN Cc1ccc(CN(C)c2nnc(Cl)c(C)c2C)cc1 ZINC000071171142 176051607 /nfs/dbraw/zinc/05/16/07/176051607.db2.gz BTIGQOBOCNONQJ-UHFFFAOYSA-N 0 0 275.783 3.692 10 0 CHAERN COc1ccccc1N(C)c1nnc(Cl)c(C)c1C ZINC000071187020 176060148 /nfs/dbraw/zinc/06/01/48/176060148.db2.gz GMWFCYVBRBOEAG-UHFFFAOYSA-N 0 0 277.755 3.523 10 0 CHAERN Cc1c(Cl)nnc(N(C)[C@H](C)CC(C)C)c1C ZINC000071186915 176060285 /nfs/dbraw/zinc/06/02/85/176060285.db2.gz BMLOLKFKZJMEJJ-SECBINFHSA-N 0 0 255.793 3.618 10 0 CHAERN C[C@@H]1CCC[C@H]1Nc1cc(Cl)ccc1C(N)=S ZINC000071209595 176082051 /nfs/dbraw/zinc/08/20/51/176082051.db2.gz NZXHMIZEFDUMAA-LDYMZIIASA-N 0 0 268.813 3.575 10 0 CHAERN C[C@H](Cc1cccs1)Nc1c(N)ccc(F)c1F ZINC000071270216 176104062 /nfs/dbraw/zinc/10/40/62/176104062.db2.gz HJSMYWAAZNWKHJ-MRVPVSSYSA-N 0 0 268.332 3.652 10 0 CHAERN CCc1cccc(C)c1NC1=NC[C@@H](C2CC2)S1 ZINC000071306657 176115908 /nfs/dbraw/zinc/11/59/08/176115908.db2.gz GZYQOZPOWOGEHZ-ZDUSSCGKSA-N 0 0 260.406 3.851 10 0 CHAERN CC(C)c1ccc(SCCCn2ccc(N)n2)cc1 ZINC000071353081 176135468 /nfs/dbraw/zinc/13/54/68/176135468.db2.gz HQBZCSZKUPXHSM-UHFFFAOYSA-N 0 0 275.421 3.771 10 0 CHAERN Cc1ccc(OCc2ccc(Cl)s2)c(CO)c1 ZINC000071409779 176156936 /nfs/dbraw/zinc/15/69/36/176156936.db2.gz MGUVDKRQNPNYFH-UHFFFAOYSA-N 0 0 268.765 3.781 10 0 CHAERN Fc1ccc(F)c(-c2cc(Cl)nc(Cl)n2)c1 ZINC000071587241 176214227 /nfs/dbraw/zinc/21/42/27/176214227.db2.gz IBYZUSDBWYPAKX-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN COc1ccc(-c2nc3ccc(N)cc3s2)c(OC)c1 ZINC000071642998 176239760 /nfs/dbraw/zinc/23/97/60/176239760.db2.gz IARMPXAARSBXAS-UHFFFAOYSA-N 0 0 286.356 3.563 10 0 CHAERN Cc1ccc(Cl)cc1Nc1ncc(Br)cn1 ZINC000071652786 176242005 /nfs/dbraw/zinc/24/20/05/176242005.db2.gz OIXPEVMKIGRPRZ-UHFFFAOYSA-N 0 0 298.571 3.945 10 0 CHAERN COc1cccc(-c2ccoc2Br)c1 ZINC000072191925 176336406 /nfs/dbraw/zinc/33/64/06/176336406.db2.gz JPMDZXSNULYHHH-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN Brc1cc(Br)c(C2CCC2)cn1 ZINC000072192701 176336748 /nfs/dbraw/zinc/33/67/48/176336748.db2.gz RQRITXAYHZTFAF-UHFFFAOYSA-N 0 0 290.986 3.874 10 0 CHAERN Cc1nccc([C@@H]2CCCCN2Cc2cccc(F)c2)n1 ZINC000072385355 176389685 /nfs/dbraw/zinc/38/96/85/176389685.db2.gz YKCNLRYURGDBLV-KRWDZBQOSA-N 0 0 285.366 3.651 10 0 CHAERN Cc1ccc(-c2ccnc3nc(-c4cccs4)nn32)cc1 ZINC000072451429 176404714 /nfs/dbraw/zinc/40/47/14/176404714.db2.gz DEHYLBDUPXTHJA-UHFFFAOYSA-N 0 0 292.367 3.828 10 0 CHAERN Brc1cnc(NCc2ccccc2)s1 ZINC000076401940 177017152 /nfs/dbraw/zinc/01/71/52/177017152.db2.gz MJXOPZDRCKOJNY-UHFFFAOYSA-N 0 0 269.167 3.518 10 0 CHAERN Cc1cc2c(c(CO)cn2Cc2ccccc2)c(C)c1 ZINC000077015859 177150540 /nfs/dbraw/zinc/15/05/40/177150540.db2.gz RYIUHCZZGPLMDS-UHFFFAOYSA-N 0 0 265.356 3.799 10 0 CHAERN COCOc1ccc2ccccc2c1Br ZINC000078425486 177340342 /nfs/dbraw/zinc/34/03/42/177340342.db2.gz FTXGUWMACJWOEZ-UHFFFAOYSA-N 0 0 267.122 3.585 10 0 CHAERN O=C(c1csc(C2CCCCC2)n1)N1C[C@@H]2CCC[C@@H]21 ZINC000334578425 224944070 /nfs/dbraw/zinc/94/40/70/224944070.db2.gz JZPBVXNDEWGUMI-JSGCOSHPSA-N 0 0 290.432 3.815 10 0 CHAERN FC1(F)CCCC[C@@H]1c1nc([C@@H]2CCCS2)no1 ZINC000334667680 225239043 /nfs/dbraw/zinc/23/90/43/225239043.db2.gz MTCNZATVONXJER-BDAKNGLRSA-N 0 0 274.336 3.931 10 0 CHAERN Cc1cc(N[C@@H](c2ccccc2)C(C)C)nnc1C ZINC000302303575 227836908 /nfs/dbraw/zinc/83/69/08/227836908.db2.gz NNNKZCKPAUCTIY-MRXNPFEDSA-N 0 0 255.365 3.903 10 0 CHAERN Cc1cc(N[C@H](c2ccccc2)C(C)C)nnc1C ZINC000302303574 227836971 /nfs/dbraw/zinc/83/69/71/227836971.db2.gz NNNKZCKPAUCTIY-INIZCTEOSA-N 0 0 255.365 3.903 10 0 CHAERN Cc1cnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000302830012 227891597 /nfs/dbraw/zinc/89/15/97/227891597.db2.gz KETMAISDLSZCCN-BDAKNGLRSA-N 0 0 264.316 3.985 10 0 CHAERN FC1(F)CCC[C@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206459 228065992 /nfs/dbraw/zinc/06/59/92/228065992.db2.gz DGLLMAQNVMEVIW-STQMWFEESA-N 0 0 298.381 3.594 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000336184059 228208325 /nfs/dbraw/zinc/20/83/25/228208325.db2.gz ZZXJEUCWRAUQNU-MFKMUULPSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1cnc(C2CCN(C(=O)[C@H]3CCC[C@@H]3C)CC2)s1 ZINC000336055776 228182947 /nfs/dbraw/zinc/18/29/47/228182947.db2.gz YPCKUAIIFIBASU-FZMZJTMJSA-N 0 0 292.448 3.594 10 0 CHAERN Cc1ccc(-c2nc([C@@H]3CC3(C)C)no2)c(C2CC2)n1 ZINC000333806145 228215066 /nfs/dbraw/zinc/21/50/66/228215066.db2.gz HDVHUMFFCOHFSM-LBPRGKRZSA-N 0 0 269.348 3.831 10 0 CHAERN Cc1cccc(N[C@@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000037185455 260072860 /nfs/dbraw/zinc/07/28/60/260072860.db2.gz STUCHJYOXCOXTM-OAHLLOKOSA-N 0 0 266.344 3.515 10 0 CHAERN CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCCCCC1 ZINC000180332616 260098343 /nfs/dbraw/zinc/09/83/43/260098343.db2.gz YZBYYESOLSLJOY-OAHLLOKOSA-N 0 0 287.403 3.987 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)o1 ZINC000180414935 260101448 /nfs/dbraw/zinc/10/14/48/260101448.db2.gz SUNUCDIXRYCPKN-ZFWWWQNUSA-N 0 0 285.387 3.952 10 0 CHAERN CC(C)N(C(=O)[C@H]1C[C@H](C)CC(C)(C)C1)C1CCOCC1 ZINC000180693059 260108623 /nfs/dbraw/zinc/10/86/23/260108623.db2.gz WSPLVKKAXKVGRD-GJZGRUSLSA-N 0 0 295.467 3.865 10 0 CHAERN CCOc1ccccc1CN1CCCc2c(N)cccc21 ZINC000037906183 260119997 /nfs/dbraw/zinc/11/99/97/260119997.db2.gz QZIIIEHZPOLMNA-UHFFFAOYSA-N 0 0 282.387 3.620 10 0 CHAERN COc1ccc(C)cc1CN1CCCc2c(N)cccc21 ZINC000037906073 260120147 /nfs/dbraw/zinc/12/01/47/260120147.db2.gz ZABGWPOZWHKXAX-UHFFFAOYSA-N 0 0 282.387 3.539 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000078587965 260168351 /nfs/dbraw/zinc/16/83/51/260168351.db2.gz KMTKDMZUXRDLBT-RKDXNWHRSA-N 0 0 291.342 3.582 10 0 CHAERN Cc1nc(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)c(C)o1 ZINC000408029081 260183692 /nfs/dbraw/zinc/18/36/92/260183692.db2.gz BBJBMQVBXOUAPG-MRXNPFEDSA-N 0 0 298.386 3.735 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccccc1OC(F)F ZINC000087406827 260213991 /nfs/dbraw/zinc/21/39/91/260213991.db2.gz FJCMBWPKQYELLX-SECBINFHSA-N 0 0 281.306 3.503 10 0 CHAERN CC1CCC(CNc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000089576003 260237733 /nfs/dbraw/zinc/23/77/33/260237733.db2.gz IKAZAMCREKLZJB-UHFFFAOYSA-N 0 0 290.432 3.969 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000092195743 260268065 /nfs/dbraw/zinc/26/80/65/260268065.db2.gz RQNRBADSLSLEQT-NXEZZACHSA-N 0 0 280.293 3.911 10 0 CHAERN CCc1onc(C)c1NC(=O)N[C@@H](C)c1ccccc1C ZINC000089443259 260441657 /nfs/dbraw/zinc/44/16/57/260441657.db2.gz COPXLNJXQACXKX-NSHDSACASA-N 0 0 287.363 3.737 10 0 CHAERN O=C(Nc1ccsc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000157228721 261142116 /nfs/dbraw/zinc/14/21/16/261142116.db2.gz QPBCXYWRJDRQCP-BDAKNGLRSA-N 0 0 292.326 3.991 10 0 CHAERN CC1(NC(=O)N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000172169150 261152130 /nfs/dbraw/zinc/15/21/30/261152130.db2.gz AOWQKJRRENIPHN-AWEZNQCLSA-N 0 0 288.391 3.532 10 0 CHAERN C[C@H](Nc1ncnc2ncccc21)c1ccc(Cl)s1 ZINC000092848563 261197795 /nfs/dbraw/zinc/19/77/95/261197795.db2.gz VLIONSVCBGCALN-QMMMGPOBSA-N 0 0 290.779 3.913 10 0 CHAERN Cc1cnc(CN[C@@H](C)c2ccc(C(C)C)cc2)o1 ZINC000175489476 261231436 /nfs/dbraw/zinc/23/14/36/261231436.db2.gz XHFXKUYVRXQOKS-ZDUSSCGKSA-N 0 0 258.365 3.957 10 0 CHAERN O=C(CC1CCCCCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000175607560 261236626 /nfs/dbraw/zinc/23/66/26/261236626.db2.gz LJMYQOQSRSTDRE-HOTGVXAUSA-N 0 0 279.424 3.517 10 0 CHAERN CO[C@H](C)c1cccc(NCc2cn3cccc(C)c3n2)c1 ZINC000102887265 261271880 /nfs/dbraw/zinc/27/18/80/261271880.db2.gz YZIIXYRTBTWUSU-CQSZACIVSA-N 0 0 295.386 3.962 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000162633233 261289383 /nfs/dbraw/zinc/28/93/83/261289383.db2.gz DQOLMSLWPNQWAH-BLLLJJGKSA-N 0 0 255.361 3.707 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)o1 ZINC000177450325 261355819 /nfs/dbraw/zinc/35/58/19/261355819.db2.gz MYSJOOADNZTFCR-PMPSAXMXSA-N 0 0 287.403 3.942 10 0 CHAERN CC[C@H](N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624441 261355891 /nfs/dbraw/zinc/35/58/91/261355891.db2.gz HKUPWYPCJMLEBS-KBPBESRZSA-N 0 0 290.798 3.507 10 0 CHAERN Cc1cnc(NCc2ccc(O)c(Br)c2)s1 ZINC000302900665 261356274 /nfs/dbraw/zinc/35/62/74/261356274.db2.gz SSLPZARLKFVWEF-UHFFFAOYSA-N 0 0 299.193 3.532 10 0 CHAERN CCc1csc([C@H]2CCCN(C(=O)[C@H](C)C(C)C)C2)n1 ZINC000172041731 261491026 /nfs/dbraw/zinc/49/10/26/261491026.db2.gz JSYILXOWFNSFDI-OLZOCXBDSA-N 0 0 294.464 3.704 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)c2cccnc2)o1 ZINC000173190714 261525428 /nfs/dbraw/zinc/52/54/28/261525428.db2.gz AZOMLEBWIUWAIZ-GDBMZVCRSA-N 0 0 298.386 3.840 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccn2)o1 ZINC000173647808 261540881 /nfs/dbraw/zinc/54/08/81/261540881.db2.gz KWFXRXNKLQDGBY-ZDUSSCGKSA-N 0 0 285.347 3.742 10 0 CHAERN CCCCN(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181916048 261771210 /nfs/dbraw/zinc/77/12/10/261771210.db2.gz JOSRZBKAWRAARD-BBRMVZONSA-N 0 0 274.408 3.670 10 0 CHAERN Cc1ccccc1N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000182531411 261941909 /nfs/dbraw/zinc/94/19/09/261941909.db2.gz CJUADWLGHPOBRY-YJYMSZOUSA-N 0 0 273.401 3.906 10 0 CHAERN C[C@H]1CCCN(Cc2nnc(C3CC3)n2C)c2ccccc21 ZINC000185975153 262074252 /nfs/dbraw/zinc/07/42/52/262074252.db2.gz RSRLWLXRIKGJTH-ZDUSSCGKSA-N 0 0 296.418 3.596 10 0 CHAERN CCc1ccc([C@@H](C)NC(=O)NCc2ccncc2C)cc1 ZINC000185991919 262075095 /nfs/dbraw/zinc/07/50/95/262075095.db2.gz PMVMMWUHGPKTIT-CQSZACIVSA-N 0 0 297.402 3.513 10 0 CHAERN Nc1ccccc1NC(=O)CCSc1ccccc1F ZINC000019846247 262196846 /nfs/dbraw/zinc/19/68/46/262196846.db2.gz QAELJSHUUNGWPE-UHFFFAOYSA-N 0 0 290.363 3.529 10 0 CHAERN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ncc[nH]1 ZINC000139033094 262720870 /nfs/dbraw/zinc/72/08/70/262720870.db2.gz SNARDEKLVPFGRF-STQMWFEESA-N 0 0 265.360 3.975 10 0 CHAERN C[C@@H]1CC(CNc2cccc(C(F)(F)F)n2)C[C@@H](C)O1 ZINC000343045757 263577665 /nfs/dbraw/zinc/57/76/65/263577665.db2.gz OAEYHPVIRNCKNF-NXEZZACHSA-N 0 0 288.313 3.716 10 0 CHAERN Cc1nc(-c2nc([C@H]3CCCC[C@@H]3C)no2)c(C)o1 ZINC000328836535 263876874 /nfs/dbraw/zinc/87/68/74/263876874.db2.gz MXJURYCRGGXGNZ-KWQFWETISA-N 0 0 261.325 3.635 10 0 CHAERN C[C@@H]1C[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000052291679 264057696 /nfs/dbraw/zinc/05/76/96/264057696.db2.gz SQXSGVWMYFWOKL-XRGYYRRGSA-N 0 0 250.651 3.574 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2nc3ccccc3o2)C1 ZINC000230923092 264564783 /nfs/dbraw/zinc/56/47/83/264564783.db2.gz TZGCMBCRZVICPY-MNOVXSKESA-N 0 0 262.378 3.914 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2nc3ccccc3o2)C1 ZINC000230923088 264565202 /nfs/dbraw/zinc/56/52/02/264565202.db2.gz TZGCMBCRZVICPY-GHMZBOCLSA-N 0 0 262.378 3.914 10 0 CHAERN COc1ccc2c(c1)[C@H](Nc1cc(OC)ccc1F)CC2 ZINC000094854081 265265061 /nfs/dbraw/zinc/26/50/61/265265061.db2.gz YUUPMDKKNFHHFY-MRXNPFEDSA-N 0 0 287.334 3.942 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC000087001307 266028841 /nfs/dbraw/zinc/02/88/41/266028841.db2.gz ZRAKFKVSKREOQM-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN C[C@@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000114400990 266241760 /nfs/dbraw/zinc/24/17/60/266241760.db2.gz LVAZFWRMRZIUNN-XJKSGUPXSA-N 0 0 289.423 3.680 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccncc1 ZINC000114517012 266392700 /nfs/dbraw/zinc/39/27/00/266392700.db2.gz FSJSGNHJOREXFE-CRAIPNDOSA-N 0 0 299.418 3.675 10 0 CHAERN Clc1cccc(CN2CCC(c3nccs3)CC2)n1 ZINC000363286643 267084714 /nfs/dbraw/zinc/08/47/14/267084714.db2.gz NZAZYDYUAZQKNU-UHFFFAOYSA-N 0 0 293.823 3.571 10 0 CHAERN O=C(c1cc2ccccn2c1)N1CCC[C@@H]1c1ccco1 ZINC000116043963 267121190 /nfs/dbraw/zinc/12/11/90/267121190.db2.gz MVWCPFVQKWJZLN-OAHLLOKOSA-N 0 0 280.327 3.510 10 0 CHAERN O=C(c1csc(C2CC2)n1)N1CCC[C@@H]1c1ccco1 ZINC000116042737 267121277 /nfs/dbraw/zinc/12/12/77/267121277.db2.gz YWGCPWAEZHWRGU-GFCCVEGCSA-N 0 0 288.372 3.591 10 0 CHAERN Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2c2ccco2)c1 ZINC000116295661 267137188 /nfs/dbraw/zinc/13/71/88/267137188.db2.gz ZARHTGFVGBJPIB-INIZCTEOSA-N 0 0 298.386 3.672 10 0 CHAERN COc1ccc(CN2CCC[C@@H]2c2ccco2)cc1F ZINC000116294467 267137598 /nfs/dbraw/zinc/13/75/98/267137598.db2.gz POQNWFNGHPRPTA-CQSZACIVSA-N 0 0 275.323 3.764 10 0 CHAERN O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116406092 267152120 /nfs/dbraw/zinc/15/21/20/267152120.db2.gz TWIHNUBWIUKNHP-CYBMUJFWSA-N 0 0 274.295 3.788 10 0 CHAERN C[C@@H](CC1CC1)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000117967176 267230927 /nfs/dbraw/zinc/23/09/27/267230927.db2.gz QMKQLCJTHSAEMD-LBPRGKRZSA-N 0 0 290.432 3.735 10 0 CHAERN CS[C@H](C)CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000119105139 267301321 /nfs/dbraw/zinc/30/13/21/267301321.db2.gz MNHBYSSEPGORNK-JMSVASOKSA-N 0 0 292.448 3.676 10 0 CHAERN CS[C@H](C)CNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000119105438 267301475 /nfs/dbraw/zinc/30/14/75/267301475.db2.gz MNHBYSSEPGORNK-YWPYICTPSA-N 0 0 292.448 3.676 10 0 CHAERN CSCCCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000119282137 267314714 /nfs/dbraw/zinc/31/47/14/267314714.db2.gz WYRPCPIKLCZPIY-VIFPVBQESA-N 0 0 289.803 3.800 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1C[C@@H]2CCCCC[C@H]21 ZINC000371171037 267359799 /nfs/dbraw/zinc/35/97/99/267359799.db2.gz SHEHILFFPDFSIA-BLLLJJGKSA-N 0 0 268.360 3.573 10 0 CHAERN CCO[C@H]1C[C@@H](N(C)Cc2csc(C)n2)C12CCCC2 ZINC000121167781 267569750 /nfs/dbraw/zinc/56/97/50/267569750.db2.gz QIILVMLNSAMKFF-CABCVRRESA-N 0 0 294.464 3.621 10 0 CHAERN Clc1ccc([C@H](NCc2ccccc2)c2ncon2)cc1 ZINC000122537554 267867691 /nfs/dbraw/zinc/86/76/91/267867691.db2.gz IMJDKXJKAIQKJS-HNNXBMFYSA-N 0 0 299.761 3.602 10 0 CHAERN Cc1ccc([C@H](C)NCc2cncc(Br)c2)o1 ZINC000168677501 267936477 /nfs/dbraw/zinc/93/64/77/267936477.db2.gz MBPWUCRIHXKSFM-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN CC(C)C[C@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000185421694 327839999 /nfs/dbraw/zinc/83/99/99/327839999.db2.gz PYVLNJKHQJTXJW-LSDHHAIUSA-N 0 0 299.418 3.732 10 0 CHAERN Cc1ccc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117559150 327902548 /nfs/dbraw/zinc/90/25/48/327902548.db2.gz SGGNKFQYYNJFTG-DYVFJYSZSA-N 0 0 281.355 3.807 10 0 CHAERN CC(C)n1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000188533228 327916223 /nfs/dbraw/zinc/91/62/23/327916223.db2.gz UTRVXZATUOOALE-SUMWQHHRSA-N 0 0 297.402 3.832 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1F ZINC000063060411 327919098 /nfs/dbraw/zinc/91/90/98/327919098.db2.gz UNXWAEFAVSNKMU-ZDUSSCGKSA-N 0 0 271.335 3.934 10 0 CHAERN C[C@H]1C[C@H](Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000040737639 328016119 /nfs/dbraw/zinc/01/61/19/328016119.db2.gz LCLCPFKWNRRPQS-BBRMVZONSA-N 0 0 261.409 3.848 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000093155945 328216683 /nfs/dbraw/zinc/21/66/83/328216683.db2.gz ICEDUKGKRNQOEY-VHSXEESVSA-N 0 0 286.828 3.904 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(F)c(Cl)c2)o1 ZINC000220933336 329204019 /nfs/dbraw/zinc/20/40/19/329204019.db2.gz ATCOEUALEBSAOV-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccncc2F)CC(C)(C)C1 ZINC000184324822 329258910 /nfs/dbraw/zinc/25/89/10/329258910.db2.gz AYDOBOXZCXCCOE-GHMZBOCLSA-N 0 0 264.344 3.622 10 0 CHAERN CCOC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368076 328355869 /nfs/dbraw/zinc/35/58/69/328355869.db2.gz IZTBZNZNHWEKDS-OLZOCXBDSA-N 0 0 277.408 3.586 10 0 CHAERN c1coc([C@@H](NCCOC2CCCC2)c2ccccc2)c1 ZINC000111635126 328369797 /nfs/dbraw/zinc/36/97/97/328369797.db2.gz DLAVVZCLZNUMHC-SFHVURJKSA-N 0 0 285.387 3.918 10 0 CHAERN c1[nH]nc2ccc(NCc3ccnc4ccccc34)cc12 ZINC000111788849 328377987 /nfs/dbraw/zinc/37/79/87/328377987.db2.gz ROCHWRKFTUIYFT-UHFFFAOYSA-N 0 0 274.327 3.723 10 0 CHAERN CSCCCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000186179021 329338836 /nfs/dbraw/zinc/33/88/36/329338836.db2.gz JTTSSXGLERKTGB-CYBMUJFWSA-N 0 0 296.436 3.659 10 0 CHAERN CC(C)(C)OC(=O)C(C)(C)c1nc(C2CC2)cs1 ZINC000282566540 328509726 /nfs/dbraw/zinc/50/97/26/328509726.db2.gz KFLFKXTZKARURS-UHFFFAOYSA-N 0 0 267.394 3.640 10 0 CHAERN O=C(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116047935 326812070 /nfs/dbraw/zinc/81/20/70/326812070.db2.gz DSNXXXLMIGDXCZ-CYBMUJFWSA-N 0 0 277.270 3.535 10 0 CHAERN CC[C@H](Nc1cccc(-n2nnnc2C)c1)c1cccs1 ZINC000037105692 326836649 /nfs/dbraw/zinc/83/66/49/326836649.db2.gz OFHVVNQHBMCQBW-AWEZNQCLSA-N 0 0 299.403 3.595 10 0 CHAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248931638 326878302 /nfs/dbraw/zinc/87/83/02/326878302.db2.gz XWEMDLFMIALBQA-TUAOUCFPSA-N 0 0 279.346 3.906 10 0 CHAERN Cc1c(CNc2ccc(OC3CCCC3)cc2)cnn1C ZINC000093649639 327132657 /nfs/dbraw/zinc/13/26/57/327132657.db2.gz ZMYHMNUZVFTZNT-UHFFFAOYSA-N 0 0 285.391 3.662 10 0 CHAERN CCCn1ccc(CNc2ccc(C(=O)OCC)cc2)c1 ZINC000091010112 327165083 /nfs/dbraw/zinc/16/50/83/327165083.db2.gz DHVGEEZVZBVPJN-UHFFFAOYSA-N 0 0 286.375 3.687 10 0 CHAERN Cc1cc(C)nc(-c2noc([C@H]3CCC[C@H]3C)n2)c1 ZINC000408224198 327301159 /nfs/dbraw/zinc/30/11/59/327301159.db2.gz DZBUDSHITDVNBG-PWSUYJOCSA-N 0 0 257.337 3.652 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2c(F)c(F)nc(F)c2F)C1 ZINC000229055752 327504027 /nfs/dbraw/zinc/50/40/27/327504027.db2.gz PSBXPEQSAWFOIB-NKWVEPMBSA-N 0 0 294.317 3.724 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3)cc1 ZINC000054107583 328685983 /nfs/dbraw/zinc/68/59/83/328685983.db2.gz QTCGTCOUZMMYTP-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(F)c1F ZINC000054210860 328690509 /nfs/dbraw/zinc/69/05/09/328690509.db2.gz CPHQDDBLIVDUNU-UHFFFAOYSA-N 0 0 291.341 3.519 10 0 CHAERN CC1(C)CCCN1C(=O)c1cc2c(s1)CCCC2 ZINC000102919398 328715757 /nfs/dbraw/zinc/71/57/57/328715757.db2.gz SROBFSCPSYCAEJ-UHFFFAOYSA-N 0 0 263.406 3.642 10 0 CHAERN COC[C@H](C)C(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000103360451 328768097 /nfs/dbraw/zinc/76/80/97/328768097.db2.gz UBLVJBSEDBMHOK-INIZCTEOSA-N 0 0 297.398 3.811 10 0 CHAERN CCCCN(C(=O)[C@H](C)COC)[C@@H](C)c1ccccc1 ZINC000103373344 328768352 /nfs/dbraw/zinc/76/83/52/328768352.db2.gz IFXUWTXCJRSGTN-CABCVRRESA-N 0 0 277.408 3.659 10 0 CHAERN CC[C@@H](CC(=O)NCc1cnn(-c2ccccc2)c1)C(C)C ZINC000104223787 328776603 /nfs/dbraw/zinc/77/66/03/328776603.db2.gz BPFHSYXVJMTBIO-INIZCTEOSA-N 0 0 299.418 3.561 10 0 CHAERN C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000261664994 328844673 /nfs/dbraw/zinc/84/46/73/328844673.db2.gz FNBCKQMZFSZGGR-ZOODHJKOSA-N 0 0 295.810 3.504 10 0 CHAERN Cc1nc([C@H](C)Nc2nc3ccccc3nc2C)cs1 ZINC000170543353 329067554 /nfs/dbraw/zinc/06/75/54/329067554.db2.gz URBPPGBOZSBZSC-VIFPVBQESA-N 0 0 284.388 3.876 10 0 CHAERN Clc1ncccc1CN1CCC[C@H](c2nccs2)C1 ZINC000171081310 329074613 /nfs/dbraw/zinc/07/46/13/329074613.db2.gz AYXXHHRDUWKRLR-LBPRGKRZSA-N 0 0 293.823 3.571 10 0 CHAERN CC[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(C)cc1 ZINC000171414020 329075729 /nfs/dbraw/zinc/07/57/29/329075729.db2.gz RFHOXJHEVMSZAS-DZGCQCFKSA-N 0 0 292.448 3.593 10 0 CHAERN COc1cc(C)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000172058837 329080678 /nfs/dbraw/zinc/08/06/78/329080678.db2.gz YMPIXVAUXYDKIG-SJCJKPOMSA-N 0 0 297.354 3.507 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)C1CCCC1 ZINC000172122886 329081495 /nfs/dbraw/zinc/08/14/95/329081495.db2.gz AEEJVKAMYXHSTG-JSGCOSHPSA-N 0 0 276.380 3.705 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)c1coc2ccccc12 ZINC000172001280 329083017 /nfs/dbraw/zinc/08/30/17/329083017.db2.gz MPNJDYVRKQUWQF-OAHLLOKOSA-N 0 0 293.322 3.686 10 0 CHAERN CC1(C[NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)CCCCCC1 ZINC000394586956 329127573 /nfs/dbraw/zinc/12/75/73/329127573.db2.gz GPAPQXNAJILUSN-ZIAGYGMSSA-N 0 0 267.413 3.580 10 0 CHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173059790 329139737 /nfs/dbraw/zinc/13/97/37/329139737.db2.gz DMPYPCBLYKSJFB-GDBMZVCRSA-N 0 0 291.439 3.690 10 0 CHAERN C[C@H](C(=O)N1CCC[C@H]1c1ccco1)c1cccc(F)c1 ZINC000173047870 329142605 /nfs/dbraw/zinc/14/26/05/329142605.db2.gz XMEOIFUKPNOFOU-WFASDCNBSA-N 0 0 287.334 3.886 10 0 CHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000173733272 329147986 /nfs/dbraw/zinc/14/79/86/329147986.db2.gz ULLYHJSMAMNHGU-SJORKVTESA-N 0 0 283.415 3.891 10 0 CHAERN O=C(c1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174082003 329153981 /nfs/dbraw/zinc/15/39/81/329153981.db2.gz KGPKFXKRIDIOPY-UHFFFAOYSA-N 0 0 298.361 3.542 10 0 CHAERN CC(C)[C@@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174078838 329154122 /nfs/dbraw/zinc/15/41/22/329154122.db2.gz WILFLAANHLKNFS-CYBMUJFWSA-N 0 0 292.398 3.521 10 0 CHAERN C(CC1CCCC1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174248336 329155781 /nfs/dbraw/zinc/15/57/81/329155781.db2.gz CIXGAVGAICYAQC-UHFFFAOYSA-N 0 0 289.423 3.886 10 0 CHAERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 ZINC000176650694 329177894 /nfs/dbraw/zinc/17/78/94/329177894.db2.gz WARDVILXBLUNKB-RDTXWAMCSA-N 0 0 293.366 3.517 10 0 CHAERN CCC[C@H]1CCc2ccccc2N1Cc1nnc(C)n1CC ZINC000177482668 329184625 /nfs/dbraw/zinc/18/46/25/329184625.db2.gz SAJOXBFPOPZBNT-INIZCTEOSA-N 0 0 298.434 3.728 10 0 CHAERN COCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178612455 329201259 /nfs/dbraw/zinc/20/12/59/329201259.db2.gz VCRICXUQRSJHMC-QAPCUYQASA-N 0 0 284.403 3.576 10 0 CHAERN CC(C)[C@@H](C)CC(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000178699473 329202343 /nfs/dbraw/zinc/20/23/43/329202343.db2.gz MXPMCAINJIQZLU-LBPRGKRZSA-N 0 0 271.364 3.697 10 0 CHAERN Cc1cccc(C(=O)N[C@H]2COc3ccccc32)c1Cl ZINC000179016321 329203826 /nfs/dbraw/zinc/20/38/26/329203826.db2.gz DVDHARCVUMAEOO-ZDUSSCGKSA-N 0 0 287.746 3.512 10 0 CHAERN Cc1ccncc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180064418 329215205 /nfs/dbraw/zinc/21/52/05/329215205.db2.gz CMQMKQGZSLRMFD-YPMHNXCESA-N 0 0 260.381 3.791 10 0 CHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000180367062 329215342 /nfs/dbraw/zinc/21/53/42/329215342.db2.gz JSYDNPSGEBBERO-GDBMZVCRSA-N 0 0 291.439 3.690 10 0 CHAERN Cc1cnccc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180303118 329219417 /nfs/dbraw/zinc/21/94/17/329219417.db2.gz KONMQTNQHXKCHI-WCQYABFASA-N 0 0 260.381 3.791 10 0 CHAERN CCC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000180581174 329220983 /nfs/dbraw/zinc/22/09/83/329220983.db2.gz KDFFMJHIHSITAF-RBSFLKMASA-N 0 0 291.391 3.538 10 0 CHAERN CC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180614791 329221206 /nfs/dbraw/zinc/22/12/06/329221206.db2.gz LZLFVTHQNMSLPR-MWLCHTKSSA-N 0 0 294.420 3.747 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2cnn(CC(F)F)c2)CC(C)(C)C1 ZINC000180610844 329221242 /nfs/dbraw/zinc/22/12/42/329221242.db2.gz WFOUJBHTVVPMHA-MNOVXSKESA-N 0 0 299.365 3.549 10 0 CHAERN Cc1nnc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000181060294 329225363 /nfs/dbraw/zinc/22/53/63/329225363.db2.gz ZVWKUQCDPAVHLY-ZDUSSCGKSA-N 0 0 293.370 3.896 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000180802445 329226652 /nfs/dbraw/zinc/22/66/52/329226652.db2.gz YPGUVPRKGGDAJR-RWMBFGLXSA-N 0 0 280.437 3.879 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCC[C@@H]2CCCCO2)CC(C)(C)C1 ZINC000181615577 329235041 /nfs/dbraw/zinc/23/50/41/329235041.db2.gz YFXVKONDPUGXSI-ILXRZTDVSA-N 0 0 281.440 3.524 10 0 CHAERN Cc1ccc([C@H](C)NCc2nc(-c3cccc(C)c3)no2)o1 ZINC000182572798 329242818 /nfs/dbraw/zinc/24/28/18/329242818.db2.gz HZDXNZBSTGSGEH-ZDUSSCGKSA-N 0 0 297.358 3.797 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000183596990 329250912 /nfs/dbraw/zinc/25/09/12/329250912.db2.gz ZPWCZQOHRATRHE-WCQYABFASA-N 0 0 294.464 3.840 10 0 CHAERN CC(C)CC[C@@H](C)Nc1cccc2c1OCC[C@H]2O ZINC000184567397 329259986 /nfs/dbraw/zinc/25/99/86/329259986.db2.gz VLVHOCDYXZAZGC-IUODEOHRSA-N 0 0 263.381 3.739 10 0 CHAERN C[C@@H](CSC(C)(C)C)Nc1cccc2c1OCC[C@H]2O ZINC000184569634 329260048 /nfs/dbraw/zinc/26/00/48/329260048.db2.gz GPOBRYWOMKEURF-SMDDNHRTSA-N 0 0 295.448 3.835 10 0 CHAERN Cc1cncc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000184473770 329260390 /nfs/dbraw/zinc/26/03/90/329260390.db2.gz ARVWHEPJFORQOR-CYBMUJFWSA-N 0 0 295.386 3.838 10 0 CHAERN Cn1cccc1[C@@H]1CCCN1CCC(Cl)(Cl)Cl ZINC000184630274 329261547 /nfs/dbraw/zinc/26/15/47/329261547.db2.gz ITGDOZVFVOMIOA-NSHDSACASA-N 0 0 295.641 3.922 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H](C)[C@@H]1C[C@@H]1C ZINC000321129355 329263905 /nfs/dbraw/zinc/26/39/05/329263905.db2.gz TUIJPRRKHNYXBE-UFGOTCBOSA-N 0 0 257.337 3.501 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(Cl)ccc2F)o1 ZINC000227555749 329327492 /nfs/dbraw/zinc/32/74/92/329327492.db2.gz SWUKMRLMQPDAQO-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000185810706 329329713 /nfs/dbraw/zinc/32/97/13/329329713.db2.gz PMBHHRALQZKZJE-LEJUKPKUSA-N 0 0 287.403 3.660 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000185942513 329333153 /nfs/dbraw/zinc/33/31/53/329333153.db2.gz SEROAOFFZZEICE-HOTGVXAUSA-N 0 0 287.378 3.734 10 0 CHAERN CC(C)CC[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548489 329345005 /nfs/dbraw/zinc/34/50/05/329345005.db2.gz AMYYUALXVHXOEZ-GFCCVEGCSA-N 0 0 275.396 3.901 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1F ZINC000186553057 329345512 /nfs/dbraw/zinc/34/55/12/329345512.db2.gz RGDRCGKXLKOLTB-LLVKDONJSA-N 0 0 299.349 3.976 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)C(C)(C)C)cs1 ZINC000187039887 329351531 /nfs/dbraw/zinc/35/15/31/329351531.db2.gz MYXRNOJWHCQKPX-MFKMUULPSA-N 0 0 295.452 3.733 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000188306026 329366119 /nfs/dbraw/zinc/36/61/19/329366119.db2.gz PGSYZVQPEUESSU-YGRLFVJLSA-N 0 0 297.782 3.633 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)c2cccnc2c1C ZINC000188405262 329368635 /nfs/dbraw/zinc/36/86/35/329368635.db2.gz BPVMYEUKDDQQLJ-UONOGXRCSA-N 0 0 298.386 3.605 10 0 CHAERN Cc1cccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1C ZINC000188490160 329369537 /nfs/dbraw/zinc/36/95/37/329369537.db2.gz ZDJJOEHUDNCOOH-OAHLLOKOSA-N 0 0 298.434 3.595 10 0 CHAERN Fc1cc(Cl)ccc1CN1CCC(c2cc[nH]n2)CC1 ZINC000188988865 329374678 /nfs/dbraw/zinc/37/46/78/329374678.db2.gz TUEIRZNLVFTWCC-UHFFFAOYSA-N 0 0 293.773 3.582 10 0 CHAERN O=C(C1CC=CC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190266266 329394212 /nfs/dbraw/zinc/39/42/12/329394212.db2.gz YMECRGQLSOYRED-CYBMUJFWSA-N 0 0 291.341 3.637 10 0 CHAERN CCCCCCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190440881 329396926 /nfs/dbraw/zinc/39/69/26/329396926.db2.gz IPSJTJMLEXUORX-UHFFFAOYSA-N 0 0 295.452 3.516 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2ccc(C)cc2)cs1 ZINC000336809726 329558388 /nfs/dbraw/zinc/55/83/88/329558388.db2.gz GFABCBFWKRQOET-NSHDSACASA-N 0 0 275.373 3.785 10 0 CHAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000124799271 329574094 /nfs/dbraw/zinc/57/40/94/329574094.db2.gz QWZXDWJYDVFYLP-SFYZADRCSA-N 0 0 255.774 3.536 10 0 CHAERN Cc1csc(NC(=O)N[C@H](C)c2ccccc2C)n1 ZINC000043257953 329580212 /nfs/dbraw/zinc/58/02/12/329580212.db2.gz NPRSHDVQVQDGMX-LLVKDONJSA-N 0 0 275.377 3.643 10 0 CHAERN C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000130364510 329624321 /nfs/dbraw/zinc/62/43/21/329624321.db2.gz PRKMXCYZHOEKMI-HZSPNIEDSA-N 0 0 261.365 3.769 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2F)o1 ZINC000131025461 329630875 /nfs/dbraw/zinc/63/08/75/329630875.db2.gz BDIUWDZZPMCGOJ-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN CN(C(=O)[C@@H]1CCCc2cccnc21)C1CCCCCC1 ZINC000193915452 329684308 /nfs/dbraw/zinc/68/43/08/329684308.db2.gz PPWLAVDCTJQHEC-MRXNPFEDSA-N 0 0 286.419 3.683 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1c(F)cccc1F ZINC000194698422 329688202 /nfs/dbraw/zinc/68/82/02/329688202.db2.gz FFNLIENMUFFAJU-SECBINFHSA-N 0 0 297.374 3.879 10 0 CHAERN CCc1nnc(CS[C@@H](C)c2ccc(F)cc2)n1C ZINC000194700067 329688226 /nfs/dbraw/zinc/68/82/26/329688226.db2.gz ODWNWZZLVLBUCP-JTQLQIEISA-N 0 0 279.384 3.511 10 0 CHAERN c1csc([C@H]2CCCCN2c2cnc3ccccc3n2)n1 ZINC000195313417 329692906 /nfs/dbraw/zinc/69/29/06/329692906.db2.gz LEEBIVXKDWGQBW-CQSZACIVSA-N 0 0 296.399 3.818 10 0 CHAERN CC1(c2ccccc2)CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000245554909 329708192 /nfs/dbraw/zinc/70/81/92/329708192.db2.gz RKJNGEPZHVMOCR-FVQHAEBGSA-N 0 0 283.415 3.613 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)CC[C@H]2CCOC2)c2ccccc21 ZINC000246307040 329825922 /nfs/dbraw/zinc/82/59/22/329825922.db2.gz HXZNRXOOINWFTC-JKIFEVAISA-N 0 0 287.403 3.558 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067046760 329850359 /nfs/dbraw/zinc/85/03/59/329850359.db2.gz GNYCEALRLLJNJO-STQMWFEESA-N 0 0 280.437 3.531 10 0 CHAERN CC(C)[C@H](C)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000067793977 329851467 /nfs/dbraw/zinc/85/14/67/329851467.db2.gz YNZWYQULXOZINQ-BEFAXECRSA-N 0 0 296.414 3.969 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC(C)(C)C1 ZINC000248907233 329902314 /nfs/dbraw/zinc/90/23/14/329902314.db2.gz UYVBPDMHARMRIG-SLBVQIDZSA-N 0 0 293.451 3.523 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000249204906 329905511 /nfs/dbraw/zinc/90/55/11/329905511.db2.gz BJIYVGBKPAFNBW-XUJVJEKNSA-N 0 0 295.810 3.675 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)CCc2ccoc2)c2ccccc21 ZINC000162615390 330087287 /nfs/dbraw/zinc/08/72/87/330087287.db2.gz RKNBDGJPTUBNHP-SUMWQHHRSA-N 0 0 283.371 3.967 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)c2cscn2)c2ccccc21 ZINC000162697767 330108476 /nfs/dbraw/zinc/10/84/76/330108476.db2.gz XFOUFGLYWVQFEN-GXFFZTMASA-N 0 0 272.373 3.512 10 0 CHAERN Cc1nccc(NC(=O)N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000332963849 330126174 /nfs/dbraw/zinc/12/61/74/330126174.db2.gz ANQGQSJPRRGLGP-NHYWBVRUSA-N 0 0 296.374 3.545 10 0 CHAERN C[C@@H](NCc1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000036902029 330310999 /nfs/dbraw/zinc/31/09/99/330310999.db2.gz HCUMADWWWQNUTI-SSDOTTSWSA-N 0 0 288.203 3.696 10 0 CHAERN Cc1cccc(S(=O)(=O)Cc2cc(C)cc(C)c2)c1 ZINC000105524966 330326848 /nfs/dbraw/zinc/32/68/48/330326848.db2.gz JHRHRUAMIASBMM-UHFFFAOYSA-N 0 0 274.385 3.586 10 0 CHAERN Cc1cc(CN[C@H](C)c2ccc3ccccc3c2)no1 ZINC000044296227 330327300 /nfs/dbraw/zinc/32/73/00/330327300.db2.gz XUKPGETXSONIOT-CYBMUJFWSA-N 0 0 266.344 3.987 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000107330236 330348946 /nfs/dbraw/zinc/34/89/46/330348946.db2.gz HLWZHWTZZCKMLG-JTQLQIEISA-N 0 0 286.778 3.665 10 0 CHAERN Cc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000082340252 330354382 /nfs/dbraw/zinc/35/43/82/330354382.db2.gz SMSCEXGDTHIIBL-HNNXBMFYSA-N 0 0 282.343 3.640 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H]2CCCO2)cc1 ZINC000046762383 330356224 /nfs/dbraw/zinc/35/62/24/330356224.db2.gz SCVMCMVXVLWVOI-RHSMWYFYSA-N 0 0 289.419 3.631 10 0 CHAERN C[C@@H](NC(=O)C1CC=CC1)c1cccc(Br)c1 ZINC000085160024 330364383 /nfs/dbraw/zinc/36/43/83/330364383.db2.gz JNXAZROPCASKDB-SNVBAGLBSA-N 0 0 294.192 3.593 10 0 CHAERN Cc1ccc([C@H](C)Nc2cncc(Cl)n2)cc1F ZINC000088521611 330377377 /nfs/dbraw/zinc/37/73/77/330377377.db2.gz LCVHTRWWWOKQCQ-VIFPVBQESA-N 0 0 265.719 3.751 10 0 CHAERN FC(F)(Br)c1ccn(C2CCCCC2)n1 ZINC000536952937 330382631 /nfs/dbraw/zinc/38/26/31/330382631.db2.gz GOWKCVNWPSIKSP-UHFFFAOYSA-N 0 0 279.128 3.833 10 0 CHAERN CC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@H]1C[C@@H]1CO2 ZINC000536954844 330382985 /nfs/dbraw/zinc/38/29/85/330382985.db2.gz MSUAWOFPOITNML-WIJYIZELSA-N 0 0 295.423 3.639 10 0 CHAERN Cc1cccc(NC(=O)N[C@@H](C)C(C)C)c1Br ZINC000120672722 330390283 /nfs/dbraw/zinc/39/02/83/330390283.db2.gz YLCHZHCYFZHXCG-JTQLQIEISA-N 0 0 299.212 3.924 10 0 CHAERN CCCn1ccc(CNc2ccc(F)cc2F)c1 ZINC000091009315 330397794 /nfs/dbraw/zinc/39/77/94/330397794.db2.gz NRKBGOVJHIHRPK-UHFFFAOYSA-N 0 0 250.292 3.788 10 0 CHAERN C[C@@H]1CCC[C@H](CSCc2nnc(C3CC3)n2C)C1 ZINC000091037391 330397895 /nfs/dbraw/zinc/39/78/95/330397895.db2.gz SYUJRRWRLHTDDL-NEPJUHHUSA-N 0 0 279.453 3.752 10 0 CHAERN C[C@H](C(=O)N1[C@H](C)COC[C@@H]1C)c1ccc2ccccc2c1 ZINC000084551016 330486413 /nfs/dbraw/zinc/48/64/13/330486413.db2.gz AGXQLRUSIQZDRC-ZNMIVQPWSA-N 0 0 297.398 3.579 10 0 CHAERN CCc1nc(CNc2ccccc2Cc2ccccc2)no1 ZINC000086190455 330494347 /nfs/dbraw/zinc/49/43/47/330494347.db2.gz CUVINNCKKGTARS-UHFFFAOYSA-N 0 0 293.370 3.835 10 0 CHAERN CC[C@@H](Nc1nc(OC)ncc1Cl)c1ccccc1 ZINC000157793618 330805248 /nfs/dbraw/zinc/80/52/48/330805248.db2.gz FMECJKZEZZGMAF-GFCCVEGCSA-N 0 0 277.755 3.702 10 0 CHAERN Cc1cccc([C@@H](C)NCc2nccn2C(C)C)c1 ZINC000452078684 331053349 /nfs/dbraw/zinc/05/33/49/331053349.db2.gz FKGZCJCLUPLNME-CQSZACIVSA-N 0 0 257.381 3.623 10 0 CHAERN CO[C@H](Cc1ccccc1)c1noc(-c2occc2C)n1 ZINC000453216655 331102544 /nfs/dbraw/zinc/10/25/44/331102544.db2.gz SWLJADAGYQSNSS-CYBMUJFWSA-N 0 0 284.315 3.568 10 0 CHAERN CO[C@@H](Cc1ccccc1)c1noc(-c2c(C)coc2C)n1 ZINC000453251822 331107859 /nfs/dbraw/zinc/10/78/59/331107859.db2.gz MASIOGQVNOEFOU-AWEZNQCLSA-N 0 0 298.342 3.877 10 0 CHAERN C=Cn1cc(CNc2nc3c(ccc(F)c3C)s2)cn1 ZINC000195006543 331131430 /nfs/dbraw/zinc/13/14/30/331131430.db2.gz QGEVRNNBDAEZJD-UHFFFAOYSA-N 0 0 288.351 3.653 10 0 CHAERN COc1cc(OC)c(N[C@H](C)c2cncs2)cc1Cl ZINC000164911529 331305418 /nfs/dbraw/zinc/30/54/18/331305418.db2.gz PLDNGKGTWNEFPY-MRVPVSSYSA-N 0 0 298.795 3.987 10 0 CHAERN CCCCOc1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000248298733 334298266 /nfs/dbraw/zinc/29/82/66/334298266.db2.gz ZABASGIZOLEHJC-CYBMUJFWSA-N 0 0 263.381 3.640 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000174544779 333001882 /nfs/dbraw/zinc/00/18/82/333001882.db2.gz BQXZVZYTJYELAX-QWRGUYRKSA-N 0 0 266.772 3.595 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000175986726 333038413 /nfs/dbraw/zinc/03/84/13/333038413.db2.gz GDKUJFBYPJNPIH-GFCCVEGCSA-N 0 0 273.332 3.846 10 0 CHAERN C[C@@H]1C[C@@H]1Nc1ccnc2cc(Br)ccc21 ZINC000309812881 333049914 /nfs/dbraw/zinc/04/99/14/333049914.db2.gz UPZPEDGDULQAOD-PELKAZGASA-N 0 0 277.165 3.818 10 0 CHAERN C[C@H]1C[C@@H]1Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000309831921 333050246 /nfs/dbraw/zinc/05/02/46/333050246.db2.gz YSZIETOZLQXJFQ-FSPLSTOPSA-N 0 0 295.102 3.683 10 0 CHAERN CCc1cc(C)c(C(=O)N[C@H](C)c2cccs2)o1 ZINC000178322265 333070818 /nfs/dbraw/zinc/07/08/18/333070818.db2.gz SVVNZKVFCACGCC-SNVBAGLBSA-N 0 0 263.362 3.703 10 0 CHAERN COc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233627 333087227 /nfs/dbraw/zinc/08/72/27/333087227.db2.gz KRIZZFOMSNENDP-LBPRGKRZSA-N 0 0 287.334 3.634 10 0 CHAERN COc1ccccc1C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088233626 333087273 /nfs/dbraw/zinc/08/72/73/333087273.db2.gz KRIZZFOMSNENDP-GFCCVEGCSA-N 0 0 287.334 3.634 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2C)cc1F ZINC000088235862 333087432 /nfs/dbraw/zinc/08/74/32/333087432.db2.gz WERLKCACCKXGHN-CYBMUJFWSA-N 0 0 271.335 3.934 10 0 CHAERN CCc1cnccc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000089374162 333096571 /nfs/dbraw/zinc/09/65/71/333096571.db2.gz HDTOWHWJOYVMDC-SECBINFHSA-N 0 0 294.807 3.850 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184208707 333125616 /nfs/dbraw/zinc/12/56/16/333125616.db2.gz WKFOEZFWUCOSQW-GJZGRUSLSA-N 0 0 297.483 3.754 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)Cc2ccoc2)cc1 ZINC000184806226 333132259 /nfs/dbraw/zinc/13/22/59/333132259.db2.gz QCTLHVDGFFVMHV-CYBMUJFWSA-N 0 0 271.360 3.823 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC000186184754 333156372 /nfs/dbraw/zinc/15/63/72/333156372.db2.gz NPBATVDOZZHGBU-GJZGRUSLSA-N 0 0 257.377 3.919 10 0 CHAERN O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc(Cl)c1F)CC2 ZINC000219823662 333157750 /nfs/dbraw/zinc/15/77/50/333157750.db2.gz AEZIEECRMWVNBU-BBRMVZONSA-N 0 0 297.801 3.606 10 0 CHAERN C(=C\c1ccccc1)\C[NH2+][C@@H]1CCOc2ccccc21 ZINC000220692011 333168462 /nfs/dbraw/zinc/16/84/62/333168462.db2.gz LBXYAVKWNXXNPN-UXHZXRBQSA-N 0 0 265.356 3.813 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)c1csc(Cl)c1 ZINC000188997503 333177511 /nfs/dbraw/zinc/17/75/11/333177511.db2.gz NLMRQGNLAFERQR-LLVKDONJSA-N 0 0 293.775 3.655 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000189066026 333179676 /nfs/dbraw/zinc/17/96/76/333179676.db2.gz XQVRTSKBIFQPQT-HUUCEWRRSA-N 0 0 299.414 3.660 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2nc(C)c(C)s2)cs1 ZINC000189755257 333198727 /nfs/dbraw/zinc/19/87/27/333198727.db2.gz RNLIFQFAGUMORR-ZDUSSCGKSA-N 0 0 293.461 3.862 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@@H]2CCCO[C@H]2C)C(C)C)c1 ZINC000191893673 333227012 /nfs/dbraw/zinc/22/70/12/333227012.db2.gz JLKJUCXGGVFIIL-JKSUJKDBSA-N 0 0 289.419 3.860 10 0 CHAERN CC[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCCO[C@@H]1C ZINC000191916369 333227116 /nfs/dbraw/zinc/22/71/16/333227116.db2.gz FUYPPJMSFLZYEH-BMFZPTHFSA-N 0 0 287.403 3.560 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000192335998 333234589 /nfs/dbraw/zinc/23/45/89/333234589.db2.gz QGPQHRALAIAYEQ-CQSZACIVSA-N 0 0 287.746 3.512 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)O1 ZINC000192419924 333235484 /nfs/dbraw/zinc/23/54/84/333235484.db2.gz ZBDMORJKDSXVHL-LDWIPMOCSA-N 0 0 292.137 3.639 10 0 CHAERN COc1ncccc1CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000193357962 333248540 /nfs/dbraw/zinc/24/85/40/333248540.db2.gz CDGWPVMQIYBQDY-OAHLLOKOSA-N 0 0 286.375 3.719 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ncccc2C(F)(F)F)o1 ZINC000226547966 333264725 /nfs/dbraw/zinc/26/47/25/333264725.db2.gz RLWKRPJWCHQJSV-MRVPVSSYSA-N 0 0 271.242 3.570 10 0 CHAERN CC1(C)[C@H](Nc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000227060207 333275447 /nfs/dbraw/zinc/27/54/47/333275447.db2.gz QWOBLIQFFBXUNI-YNEHKIRRSA-N 0 0 285.309 3.931 10 0 CHAERN CC(C)(CC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000194889970 333278637 /nfs/dbraw/zinc/27/86/37/333278637.db2.gz RSHBQYZRDIOZEI-MRXNPFEDSA-N 0 0 295.382 3.604 10 0 CHAERN Oc1ccc(-c2nc([C@@H]3CCCCS3)no2)c(F)c1 ZINC000230229365 333316112 /nfs/dbraw/zinc/31/61/12/333316112.db2.gz CCSQLYPKMKRLSH-NSHDSACASA-N 0 0 280.324 3.540 10 0 CHAERN Cc1cnc([C@@H](C)NCc2nc(C(C)(C)C)cs2)o1 ZINC000230642171 333319210 /nfs/dbraw/zinc/31/92/10/333319210.db2.gz FSRLXPRZUNAMHZ-SNVBAGLBSA-N 0 0 279.409 3.588 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1cc(Br)ccc1C ZINC000231692047 333328409 /nfs/dbraw/zinc/32/84/09/333328409.db2.gz SNJMJNIWRXYBBT-GXFFZTMASA-N 0 0 296.208 3.676 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000231692648 333328428 /nfs/dbraw/zinc/32/84/28/333328428.db2.gz MXJPTCFDQCRWNL-PELKAZGASA-N 0 0 289.272 3.763 10 0 CHAERN CC(C)C[C@H](C)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000037125440 333490157 /nfs/dbraw/zinc/49/01/57/333490157.db2.gz MAWZEDAKYBRMNO-NSHDSACASA-N 0 0 282.815 3.888 10 0 CHAERN CCN(CC)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000126803300 333609266 /nfs/dbraw/zinc/60/92/66/333609266.db2.gz FKXSVFKVPWIYAF-HZPDHXFCSA-N 0 0 259.393 3.782 10 0 CHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC=CCC1 ZINC000128898138 333725115 /nfs/dbraw/zinc/72/51/15/333725115.db2.gz AHNCKZMTLVSNRK-KGLIPLIRSA-N 0 0 297.320 3.633 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000074001986 333982131 /nfs/dbraw/zinc/98/21/31/333982131.db2.gz RULNEPPTZCGVRR-ZDUSSCGKSA-N 0 0 292.398 3.587 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)NC(C)(C)C)c2ccccc21 ZINC000132838324 334007476 /nfs/dbraw/zinc/00/74/76/334007476.db2.gz HAODGFYIAXQTOO-FZMZJTMJSA-N 0 0 260.381 3.723 10 0 CHAERN Cc1nccc(N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000133841655 334063364 /nfs/dbraw/zinc/06/33/64/334063364.db2.gz VIBYQIWGLKNWHD-IAQYHMDHSA-N 0 0 253.349 3.836 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000133872201 334066669 /nfs/dbraw/zinc/06/66/69/334066669.db2.gz PVYOPUVYEMFKAS-BMIGLBTASA-N 0 0 286.762 3.540 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ncnc3sccc32)s1 ZINC000134926361 334108629 /nfs/dbraw/zinc/10/86/29/334108629.db2.gz BBEOVJKWGMBPDW-MRVPVSSYSA-N 0 0 290.417 3.883 10 0 CHAERN CC[C@H](C)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000077826067 334115706 /nfs/dbraw/zinc/11/57/06/334115706.db2.gz UQVMRFLSEGSBBW-UWVGGRQHSA-N 0 0 299.212 3.608 10 0 CHAERN CCOc1c(F)cccc1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000079547693 334156849 /nfs/dbraw/zinc/15/68/49/334156849.db2.gz WULFIGWNZYEQLS-NSHDSACASA-N 0 0 291.322 3.617 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(NC(C)=O)c(OC)c2)C1 ZINC000080429994 334171419 /nfs/dbraw/zinc/17/14/19/334171419.db2.gz FYBIFUOXDHMKBI-OLZOCXBDSA-N 0 0 276.380 3.644 10 0 CHAERN CC[C@H]1CC[C@H](Nc2cccc(OCCOC)c2)C1 ZINC000080458067 334171944 /nfs/dbraw/zinc/17/19/44/334171944.db2.gz ILDTVBQQJGSPTD-ZFWWWQNUSA-N 0 0 263.381 3.702 10 0 CHAERN C[C@H](N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1(C)CC1 ZINC000245883375 334222852 /nfs/dbraw/zinc/22/28/52/334222852.db2.gz KXVJYPNYQLTBGX-WCFLWFBJSA-N 0 0 293.357 3.715 10 0 CHAERN C[C@@H]1COCC[C@@H]1Nc1cc(Cl)cc2cccnc21 ZINC000311527255 334224403 /nfs/dbraw/zinc/22/44/03/334224403.db2.gz XGCJYQBUSBSUHW-MFKMUULPSA-N 0 0 276.767 3.725 10 0 CHAERN CCC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246014919 334227795 /nfs/dbraw/zinc/22/77/95/334227795.db2.gz IZSCWOKVIYSPTL-AVGNSLFASA-N 0 0 281.346 3.763 10 0 CHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246347933 334251959 /nfs/dbraw/zinc/25/19/59/334251959.db2.gz HPEOAPIZAXOVBR-KXNHARMFSA-N 0 0 292.345 3.690 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000247103428 334275816 /nfs/dbraw/zinc/27/58/16/334275816.db2.gz XFALSRNKOSLWOE-LEWSCRJBSA-N 0 0 293.357 3.763 10 0 CHAERN CC(C)[C@H](C(=O)N[C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000246416726 334256841 /nfs/dbraw/zinc/25/68/41/334256841.db2.gz HPDXCUZXJRNZRO-BPNCWPANSA-N 0 0 265.784 3.604 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)o1 ZINC000246498597 334260399 /nfs/dbraw/zinc/26/03/99/334260399.db2.gz MYSJOOADNZTFCR-XHSDSOJGSA-N 0 0 287.403 3.942 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1 ZINC000246613136 334265349 /nfs/dbraw/zinc/26/53/49/334265349.db2.gz XDNCUSIEKQOSBF-QCZZGDTMSA-N 0 0 263.768 3.563 10 0 CHAERN C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000246653426 334266456 /nfs/dbraw/zinc/26/64/56/334266456.db2.gz KHJCNIFGYMIIQF-XHBSWPGZSA-N 0 0 272.392 3.723 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000246748568 334268902 /nfs/dbraw/zinc/26/89/02/334268902.db2.gz JNDUVVIXJVQNMF-JLJPHGGASA-N 0 0 287.403 3.590 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000247582631 334286293 /nfs/dbraw/zinc/28/62/93/334286293.db2.gz YYGXKIBAHAAZEY-RDBSUJKOSA-N 0 0 276.380 3.705 10 0 CHAERN C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000247582624 334286294 /nfs/dbraw/zinc/28/62/94/334286294.db2.gz YYGXKIBAHAAZEY-MCIONIFRSA-N 0 0 276.380 3.705 10 0 CHAERN CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000249391027 334333068 /nfs/dbraw/zinc/33/30/68/334333068.db2.gz FZHIVXDDTBCDHR-PMPSAXMXSA-N 0 0 281.440 3.619 10 0 CHAERN COc1c(C)ccc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1C ZINC000250983419 334354299 /nfs/dbraw/zinc/35/42/99/334354299.db2.gz PNKJQXLOYPTGGL-APHBMKBZSA-N 0 0 275.392 3.537 10 0 CHAERN C[C@@H](N[C@@H](Cc1ccccc1)C(F)(F)F)C1CCC1 ZINC000090456422 334361401 /nfs/dbraw/zinc/36/14/01/334361401.db2.gz BRYYLHKJCOECJO-RISCZKNCSA-N 0 0 271.326 3.938 10 0 CHAERN Cc1ccccc1[C@@H](NCc1cc[nH]n1)c1ccccc1 ZINC000093248840 334451345 /nfs/dbraw/zinc/45/13/45/334451345.db2.gz YNRBRGZKHLIKGT-SFHVURJKSA-N 0 0 277.371 3.597 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000153295575 334583370 /nfs/dbraw/zinc/58/33/70/334583370.db2.gz ULGLNDPLIQQMRO-MRXNPFEDSA-N 0 0 269.319 3.633 10 0 CHAERN CC(C)c1ccccc1OCCC(=O)N[C@H](C)C(C)C ZINC000154446451 334694569 /nfs/dbraw/zinc/69/45/69/334694569.db2.gz OEOQVHIFUVFZGZ-CQSZACIVSA-N 0 0 277.408 3.740 10 0 CHAERN CC[C@H](NCc1nnc(C)n1CC)c1ccc(Cl)cc1 ZINC000154800492 334704919 /nfs/dbraw/zinc/70/49/19/334704919.db2.gz VHRSNVXWSGZOMP-AWEZNQCLSA-N 0 0 292.814 3.501 10 0 CHAERN CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(Cl)cn1 ZINC000155073032 334712351 /nfs/dbraw/zinc/71/23/51/334712351.db2.gz LYTUFMHHJLCDDQ-ZIAGYGMSSA-N 0 0 292.810 3.914 10 0 CHAERN Cc1cc(Cl)c(NC(=O)[C@H]2CC[C@H](C)O2)cc1Cl ZINC000157631751 334778750 /nfs/dbraw/zinc/77/87/50/334778750.db2.gz RIAYCQRKKFUVDZ-QPUJVOFHSA-N 0 0 288.174 3.808 10 0 CHAERN CSCCCCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157744181 334782744 /nfs/dbraw/zinc/78/27/44/334782744.db2.gz COAVJZFEJZHFQR-HNNXBMFYSA-N 0 0 295.423 3.853 10 0 CHAERN C[C@H](NC(=O)N1CCC2(CCC2)C1)c1cccc(Cl)c1 ZINC000159114694 334819736 /nfs/dbraw/zinc/81/97/36/334819736.db2.gz ARTIZJFDFUDDSF-LBPRGKRZSA-N 0 0 292.810 3.987 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2Nc2ccccc2)O1 ZINC000180797296 335624713 /nfs/dbraw/zinc/62/47/13/335624713.db2.gz IWKHARPUEOADHJ-SUMWQHHRSA-N 0 0 296.370 3.936 10 0 CHAERN CCn1cc(CNc2nc3ccc(Cl)cc3s2)cn1 ZINC000181540598 335768596 /nfs/dbraw/zinc/76/85/96/335768596.db2.gz UYCAXJPMNYPQSO-UHFFFAOYSA-N 0 0 292.795 3.778 10 0 CHAERN CO[C@@H](C)CCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000181776625 335785163 /nfs/dbraw/zinc/78/51/63/335785163.db2.gz NVZKJNIUKORBMZ-GUYCJALGSA-N 0 0 289.419 3.631 10 0 CHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)Nc1ccon1 ZINC000183521688 335896259 /nfs/dbraw/zinc/89/62/59/335896259.db2.gz ILBFUAPGFMXJKQ-AWEZNQCLSA-N 0 0 285.347 3.510 10 0 CHAERN Cc1ccc(CCNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000183762514 335904811 /nfs/dbraw/zinc/90/48/11/335904811.db2.gz ZDUROYKBCAVETO-CJNGLKHVSA-N 0 0 288.435 3.511 10 0 CHAERN CCn1c(C)nnc1CSCC1CCC(C)CC1 ZINC000184610786 335929909 /nfs/dbraw/zinc/92/99/09/335929909.db2.gz JUEVBPDVYBMPCH-UHFFFAOYSA-N 0 0 267.442 3.666 10 0 CHAERN CC(C)c1nnc(COc2ccccc2C(F)(F)F)n1C ZINC000194686061 336037422 /nfs/dbraw/zinc/03/74/22/336037422.db2.gz MXNBXMMNAMCSFW-UHFFFAOYSA-N 0 0 299.296 3.536 10 0 CHAERN Cc1ccc(NCc2nnc(C(C)C)n2C)c(Cl)c1 ZINC000194982604 336041826 /nfs/dbraw/zinc/04/18/26/336041826.db2.gz JTHCTPVLOXQIFE-UHFFFAOYSA-N 0 0 278.787 3.512 10 0 CHAERN FCC[C@@H]1CCC[C@@H]1Nc1cncc(Br)c1 ZINC000381841670 336074228 /nfs/dbraw/zinc/07/42/28/336074228.db2.gz QKALACZHXXCKHY-CABZTGNLSA-N 0 0 287.176 3.784 10 0 CHAERN CCCC1CCN(c2ccc(F)cc2[C@H](C)O)CC1 ZINC000050894077 519903835 /nfs/dbraw/zinc/90/38/35/519903835.db2.gz NHPXIISGVFWQHU-LBPRGKRZSA-N 0 0 265.372 3.896 10 0 CHAERN CCCOc1cccc([C@H](O)c2sccc2C)c1 ZINC000061668260 520470180 /nfs/dbraw/zinc/47/01/80/520470180.db2.gz PHAQLYMQGIOCPE-AWEZNQCLSA-N 0 0 262.374 3.927 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C2CCCC2)C1 ZINC000062751350 520829774 /nfs/dbraw/zinc/82/97/74/520829774.db2.gz PZSWROWOKGGUOT-BPLDGKMQSA-N 0 0 267.413 3.530 10 0 CHAERN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000062751686 521212466 /nfs/dbraw/zinc/21/24/66/521212466.db2.gz VVOQYCKUJWOMBA-ZQDZILKHSA-N 0 0 269.429 3.634 10 0 CHAERN CCN(Cc1cccs1)[C@@H](C)C(=O)c1ccccc1 ZINC000049537687 521409054 /nfs/dbraw/zinc/40/90/54/521409054.db2.gz COPJPNBEHYKJRA-ZDUSSCGKSA-N 0 0 273.401 3.841 10 0 CHAERN C[C@H](Nc1ncc(C(F)(F)F)s1)c1ccco1 ZINC000302779094 534031516 /nfs/dbraw/zinc/03/15/16/534031516.db2.gz QODKVDVRSGCHKZ-LURJTMIESA-N 0 0 262.256 3.928 10 0 CHAERN C[C@H]1CC(=O)CC[C@@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000333062616 534166194 /nfs/dbraw/zinc/16/61/94/534166194.db2.gz FANRNUWROKDHAM-GWCFXTLKSA-N 0 0 276.380 3.620 10 0 CHAERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000334779531 534181944 /nfs/dbraw/zinc/18/19/44/534181944.db2.gz CAIITBJUDVATEV-GXFFZTMASA-N 0 0 264.756 3.665 10 0 CHAERN CCn1c(C)nnc1COc1ccc(C(C)C)c(C)c1 ZINC000180308753 517875891 /nfs/dbraw/zinc/87/58/91/517875891.db2.gz DBCAIDHFADLRPV-UHFFFAOYSA-N 0 0 273.380 3.617 10 0 CHAERN COc1ccc2c(=O)cc(-c3ccc(F)cc3)oc2c1 ZINC000027557271 518162618 /nfs/dbraw/zinc/16/26/18/518162618.db2.gz FQRUARKLFVTIIK-UHFFFAOYSA-N 0 0 270.259 3.608 10 0 in-vivo CHAERN CC(=O)c1c(F)cccc1OCc1cccs1 ZINC000049585724 518240278 /nfs/dbraw/zinc/24/02/78/518240278.db2.gz LCGGCOOTSRNLQP-UHFFFAOYSA-N 0 0 250.294 3.669 10 0 CHAERN CC(=O)c1ccc(N2Cc3ccccc3C2)c(F)c1 ZINC000050911435 518354617 /nfs/dbraw/zinc/35/46/17/518354617.db2.gz COVISNSRMCOTPE-UHFFFAOYSA-N 0 0 255.292 3.549 10 0 CHAERN CC(=O)c1sc(N(C)c2ccccc2C)nc1C ZINC000054863181 518496949 /nfs/dbraw/zinc/49/69/49/518496949.db2.gz WVFCFVQAZDJBDP-UHFFFAOYSA-N 0 0 260.362 3.730 10 0 CHAERN CC(C)(C)CCOc1ccc(C(N)=S)cc1Cl ZINC000049254740 518656271 /nfs/dbraw/zinc/65/62/71/518656271.db2.gz ZCRHPLJWICYIDT-UHFFFAOYSA-N 0 0 271.813 3.789 10 0 CHAERN CC(C)(C)Oc1cc(CNc2ccnc(C3CC3)n2)ccn1 ZINC000121831321 518888042 /nfs/dbraw/zinc/88/80/42/518888042.db2.gz MQWSFWRKPQKGGL-UHFFFAOYSA-N 0 0 298.390 3.538 10 0 CHAERN CC(C)(C)c1cc(N)c2cc(F)c(F)c(F)c2n1 ZINC000050870686 518999078 /nfs/dbraw/zinc/99/90/78/518999078.db2.gz GBNCFMPTISKSJZ-UHFFFAOYSA-N 0 0 254.255 3.532 10 0 CHAERN CC(C)(C)c1ccccc1OCCCCC(N)=S ZINC000049583067 519063077 /nfs/dbraw/zinc/06/30/77/519063077.db2.gz KHTREGMWEJWQNL-UHFFFAOYSA-N 0 0 265.422 3.819 10 0 CHAERN CC(C)(C)c1nc2cc(N)ccc2n1-c1ccccc1 ZINC000052842406 519104956 /nfs/dbraw/zinc/10/49/56/519104956.db2.gz WYBYVDLOSBSXDK-UHFFFAOYSA-N 0 0 265.360 3.905 10 0 CHAERN CC(C)C[C@H](CO)Nc1ccnc2cc(Cl)ccc21 ZINC000040779400 519361790 /nfs/dbraw/zinc/36/17/90/519361790.db2.gz NAWFSMHSWVDLDM-GFCCVEGCSA-N 0 0 278.783 3.707 10 0 CHAERN CC(C)Cc1nc2cccc(Br)c2o1 ZINC000062536923 519460517 /nfs/dbraw/zinc/46/05/17/519460517.db2.gz SZGNYWDOXRKWCE-UHFFFAOYSA-N 0 0 254.127 3.789 10 0 CHAERN CC(C)C[N@H+](C(C)C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062755750 519707890 /nfs/dbraw/zinc/70/78/90/519707890.db2.gz HILVSVJSSYYYQX-HNNXBMFYSA-N 0 0 263.381 3.569 10 0 CHAERN CC(C)[C@@H](C)N(C)c1nnc(Cl)c2ccccc21 ZINC000050529481 519791309 /nfs/dbraw/zinc/79/13/09/519791309.db2.gz VIBAUPWGOSIKKD-SNVBAGLBSA-N 0 0 263.772 3.764 10 0 CHAERN CC(C)c1[nH]nc(N)c1-c1ccccc1Br ZINC000055333962 519830585 /nfs/dbraw/zinc/83/05/85/519830585.db2.gz MYIHAIAJNAWEHN-UHFFFAOYSA-N 0 0 280.169 3.545 10 0 CHAERN CC(C)c1c(NC(=O)N[C@H]2C[C@H]2C)cnn1-c1ccccc1 ZINC000192333054 519830839 /nfs/dbraw/zinc/83/08/39/519830839.db2.gz HVQJVCLAQLTCNO-OCCSQVGLSA-N 0 0 298.390 3.526 10 0 CHAERN CC(C)c1cc(N)nc(-c2ccc(Cl)s2)n1 ZINC000050866968 519832971 /nfs/dbraw/zinc/83/29/71/519832971.db2.gz WDGDEEYYSPXRJZ-UHFFFAOYSA-N 0 0 253.758 3.564 10 0 CHAERN CC(C)c1ccccc1N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634840 519846974 /nfs/dbraw/zinc/84/69/74/519846974.db2.gz SRUSJUZWJMOQTD-ZIAGYGMSSA-N 0 0 295.448 3.578 10 0 CHAERN CC(C)c1ccn(-c2ccc([C@H](C)O)cc2Cl)n1 ZINC000061697302 519848324 /nfs/dbraw/zinc/84/83/24/519848324.db2.gz ZPXCVQFKBAZTSN-JTQLQIEISA-N 0 0 264.756 3.702 10 0 CHAERN CCCCC1CCC(c2nnc3ccc(N)cn32)CC1 ZINC000049640629 519921366 /nfs/dbraw/zinc/92/13/66/519921366.db2.gz XFPWUZICNVWYDO-UHFFFAOYSA-N 0 0 272.396 3.776 10 0 CHAERN CCCNc1cc(C)c(-c2ccc(Cl)cc2)nn1 ZINC000054931260 520134358 /nfs/dbraw/zinc/13/43/58/520134358.db2.gz RTRWNRKRSVKSEN-UHFFFAOYSA-N 0 0 261.756 3.927 10 0 CHAERN CCCNc1ccc(C(=O)N(C)[C@@H](C)CCC)cc1 ZINC000050756164 520142285 /nfs/dbraw/zinc/14/22/85/520142285.db2.gz JXPOOEZSLULUMV-ZDUSSCGKSA-N 0 0 262.397 3.769 10 0 CHAERN CCCNc1ccccc1C(=O)N(C)C1CCCC1 ZINC000050747673 520176120 /nfs/dbraw/zinc/17/61/20/520176120.db2.gz USGJXWPIMCZSKW-UHFFFAOYSA-N 0 0 260.381 3.523 10 0 CHAERN CCCNc1ccnc(-c2cccc(Br)c2)n1 ZINC000050863932 520183153 /nfs/dbraw/zinc/18/31/53/520183153.db2.gz JYCNEZCAKODWKM-UHFFFAOYSA-N 0 0 292.180 3.728 10 0 CHAERN CCCNc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000053750432 520188596 /nfs/dbraw/zinc/18/85/96/520188596.db2.gz XEAFPVKEAZAZGQ-UHFFFAOYSA-N 0 0 286.162 3.789 10 0 CHAERN CCCNc1nc(COC2CCC2)nc2sccc21 ZINC000050833296 520188639 /nfs/dbraw/zinc/18/86/39/520188639.db2.gz WMRKLYMZKLPVKM-UHFFFAOYSA-N 0 0 277.393 3.582 10 0 CHAERN CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000048512815 520301903 /nfs/dbraw/zinc/30/19/03/520301903.db2.gz DHNFVFTXEPRLQK-ZDUSSCGKSA-N 0 0 278.396 3.950 10 0 CHAERN CCCCN(c1nc(Cl)nc(Cl)n1)[C@@H](C)CC ZINC000061518881 520554013 /nfs/dbraw/zinc/55/40/13/520554013.db2.gz YVXFFYIXIJOHCS-QMMMGPOBSA-N 0 0 277.199 3.583 10 0 CHAERN CC1(C)[C@H](Nc2ccc(OC(F)F)cc2)[C@@H]2CCO[C@@H]21 ZINC000085630057 520672248 /nfs/dbraw/zinc/67/22/48/520672248.db2.gz WPEYFJMEBVKXNW-XQQFMLRXSA-N 0 0 283.318 3.513 10 0 CHAERN CCCCOCCNc1ccc(OC(C)C)cc1 ZINC000049262022 520785495 /nfs/dbraw/zinc/78/54/95/520785495.db2.gz SQNAGEBPESUDTQ-UHFFFAOYSA-N 0 0 251.370 3.702 10 0 CHAERN CC1CCC(N(C)c2nc3c(s2)C(=O)CCC3)CC1 ZINC000054863578 520938502 /nfs/dbraw/zinc/93/85/02/520938502.db2.gz ZHAODRUJDDYKSJ-UHFFFAOYSA-N 0 0 278.421 3.677 10 0 CHAERN CCCC[C@@H](CC)C(=O)N(CC)c1cccc(N)c1 ZINC000063107523 521013965 /nfs/dbraw/zinc/01/39/65/521013965.db2.gz CGRCOKNOJKJNBE-CYBMUJFWSA-N 0 0 262.397 3.838 10 0 CHAERN CCC[C@H](NC(=O)c1sccc1N)c1cccs1 ZINC000049540689 521147892 /nfs/dbraw/zinc/14/78/92/521147892.db2.gz UJYPTCWCEUXVAD-JTQLQIEISA-N 0 0 280.418 3.663 10 0 CHAERN CCCc1cc(Br)c(Br)cn1 ZINC000072193321 521350434 /nfs/dbraw/zinc/35/04/34/521350434.db2.gz WJBVBCGBPKCLHH-UHFFFAOYSA-N 0 0 278.975 3.559 10 0 CHAERN CCCc1cc(NCC)c2ccc(F)c(F)c2n1 ZINC000050870952 521378372 /nfs/dbraw/zinc/37/83/72/521378372.db2.gz DQHFAOANTJZTSE-UHFFFAOYSA-N 0 0 250.292 3.897 10 0 CHAERN CCOc1ccccc1-c1nc2c(c(Cl)n1)CCC2 ZINC000048770526 521440851 /nfs/dbraw/zinc/44/08/51/521440851.db2.gz YDIHFKNNQQFOQC-UHFFFAOYSA-N 0 0 274.751 3.684 10 0 CHAERN CCCc1nc2cc(N)ccc2n1-c1ccccc1 ZINC000052842400 521542054 /nfs/dbraw/zinc/54/20/54/521542054.db2.gz VMCAXBRJGPVTMQ-UHFFFAOYSA-N 0 0 251.333 3.560 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccc(C)cc2)c1 ZINC000037086634 521806906 /nfs/dbraw/zinc/80/69/06/521806906.db2.gz BNTHFRGIEYKZTE-CQSZACIVSA-N 0 0 282.387 3.836 10 0 CHAERN CC[C@@H](C)N(C)c1nc(-c2ccccc2)c(C=O)s1 ZINC000054967012 522066022 /nfs/dbraw/zinc/06/60/22/522066022.db2.gz NYOSXPPRLTUJHD-LLVKDONJSA-N 0 0 274.389 3.857 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(F)c(F)ccc12 ZINC000050870946 522565641 /nfs/dbraw/zinc/56/56/41/522565641.db2.gz PVLVPNUJHRNWLF-UHFFFAOYSA-N 0 0 262.181 3.574 10 0 CHAERN CCc1nn(-c2c(C)cc(C)cc2C)c(Cl)c1C=O ZINC000055265851 522637225 /nfs/dbraw/zinc/63/72/25/522637225.db2.gz VPBHEWHKFAJIIF-UHFFFAOYSA-N 0 0 276.767 3.826 10 0 CHAERN COc1cc(NC(=O)/C=C/C(C)C)c(OC)cc1Cl ZINC000193911562 522637417 /nfs/dbraw/zinc/63/74/17/522637417.db2.gz PPAWVOXTFPQIJT-AATRIKPKSA-N 0 0 283.755 3.508 10 0 CHAERN CNc1ncccc1CSc1ccc2c(c1)CCC2 ZINC000052756262 522711349 /nfs/dbraw/zinc/71/13/49/522711349.db2.gz ZOLBBXICLXSILV-UHFFFAOYSA-N 0 0 270.401 3.904 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)o1 ZINC000330115597 534656461 /nfs/dbraw/zinc/65/64/61/534656461.db2.gz UFYSISNGTYCCND-LBPRGKRZSA-N 0 0 284.359 3.742 10 0 CHAERN CC[C@@H](NC(=O)c1ccccc1Br)C(C)C ZINC000042550588 522794106 /nfs/dbraw/zinc/79/41/06/522794106.db2.gz VMZBMJVPHMLXLI-GFCCVEGCSA-N 0 0 284.197 3.614 10 0 CHAERN CCc1noc(C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000155835524 522863726 /nfs/dbraw/zinc/86/37/26/522863726.db2.gz LZRLWODRHJBMBS-LBPRGKRZSA-N 0 0 289.335 3.507 10 0 CHAERN CC[C@@H](O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000054723531 523010759 /nfs/dbraw/zinc/01/07/59/523010759.db2.gz OADJMVGOQUNAQJ-CQSZACIVSA-N 0 0 278.783 3.645 10 0 CHAERN CCn1c(C)cc(C(=O)N[C@H](C)c2ccc(C)o2)c1C ZINC000046042857 523137216 /nfs/dbraw/zinc/13/72/16/523137216.db2.gz NAOOSMBGCOSTPV-GFCCVEGCSA-N 0 0 274.364 3.517 10 0 CHAERN CC[C@@H]1CCCCN1c1ccc(Cl)cc1C(N)=S ZINC000052858105 523180755 /nfs/dbraw/zinc/18/07/55/523180755.db2.gz ABWVBNMNDKJDPL-LLVKDONJSA-N 0 0 282.840 3.743 10 0 CHAERN CN(Cc1csc(Cl)n1)Cc1csc(Cl)n1 ZINC000299889893 523529289 /nfs/dbraw/zinc/52/92/89/523529289.db2.gz QLOUJYOWYGTWPB-UHFFFAOYSA-N 0 0 294.232 3.538 10 0 CHAERN CCn1ccnc1Oc1ccc2ccc(O)cc2c1 ZINC000050614454 523549955 /nfs/dbraw/zinc/54/99/55/523549955.db2.gz BDNZLHPGMUZCOF-UHFFFAOYSA-N 0 0 254.289 3.554 10 0 CHAERN CN(Cc1nc2sccc2c(Cl)n1)c1ccccc1 ZINC000050839794 523570477 /nfs/dbraw/zinc/57/04/77/523570477.db2.gz MYBBJJIGMFZLJN-UHFFFAOYSA-N 0 0 289.791 3.981 10 0 CHAERN CN(Cc1sccc1Br)c1ccccc1N ZINC000050015057 523617646 /nfs/dbraw/zinc/61/76/46/523617646.db2.gz HDJIFSSZXYVMQZ-UHFFFAOYSA-N 0 0 297.221 3.729 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334632438 534732869 /nfs/dbraw/zinc/73/28/69/534732869.db2.gz OUIJGRXHWNINSM-JQWIXIFHSA-N 0 0 264.756 3.665 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000063021125 523781130 /nfs/dbraw/zinc/78/11/30/523781130.db2.gz MHRJJQHWOOLAAG-UHFFFAOYSA-N 0 0 260.720 3.888 10 0 CHAERN CCc1cc(Cl)nc(Nc2ccc(C)c(F)c2)n1 ZINC000057331108 523788663 /nfs/dbraw/zinc/78/86/63/523788663.db2.gz SJUOOMKFALZWEO-UHFFFAOYSA-N 0 0 265.719 3.884 10 0 CHAERN COc1ccc(C)cc1[C@@H](O)Cc1cccc(Cl)c1 ZINC000052945488 523855073 /nfs/dbraw/zinc/85/50/73/523855073.db2.gz ORGLRCQEYBCCHW-HNNXBMFYSA-N 0 0 276.763 3.933 10 0 CHAERN CC[C@H](C)N(CC)c1ccc(Cl)cc1C(N)=S ZINC000052858146 523935180 /nfs/dbraw/zinc/93/51/80/523935180.db2.gz BDYPDXVATRMCRP-VIFPVBQESA-N 0 0 270.829 3.599 10 0 CHAERN CC[C@H](C)N(CC)c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967263 523935382 /nfs/dbraw/zinc/93/53/82/523935382.db2.gz BCEXMEWHDDRWJT-JTQLQIEISA-N 0 0 268.426 3.878 10 0 CHAERN CO[C@H]1CCC[C@@H](Nc2nc(C(F)(F)F)cs2)C1 ZINC000301794260 523976813 /nfs/dbraw/zinc/97/68/13/523976813.db2.gz SKDVOCSGWGSCSE-SFYZADRCSA-N 0 0 280.315 3.531 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C=C(C)C)o1 ZINC000128345226 524034875 /nfs/dbraw/zinc/03/48/75/524034875.db2.gz COJKRIYQGNVHNX-AWEZNQCLSA-N 0 0 261.365 3.862 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccncc2)o1 ZINC000128315275 524035332 /nfs/dbraw/zinc/03/53/32/524035332.db2.gz KHVXTIGPTAVFQL-HNNXBMFYSA-N 0 0 284.359 3.604 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ncoc2C)o1 ZINC000128379924 524035358 /nfs/dbraw/zinc/03/53/58/524035358.db2.gz UBTUGEMGQBNJKN-ZDUSSCGKSA-N 0 0 288.347 3.506 10 0 CHAERN C[C@H]1CCC[C@H](SCCOc2cccc(N)c2)C1 ZINC000054689488 524210695 /nfs/dbraw/zinc/21/06/95/524210695.db2.gz OPFPFEWTACBNGL-WFASDCNBSA-N 0 0 265.422 3.960 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H](C)Cc1ccco1 ZINC000062769541 524245989 /nfs/dbraw/zinc/24/59/89/524245989.db2.gz GGWBOLDDTFJJBS-JTQLQIEISA-N 0 0 265.740 3.985 10 0 CHAERN COc1ccc(Cl)cc1[C@@H](O)Cc1ccc(C)cc1 ZINC000055204001 524251575 /nfs/dbraw/zinc/25/15/75/524251575.db2.gz ZOZJJMOQJNUWFS-HNNXBMFYSA-N 0 0 276.763 3.933 10 0 CHAERN C[C@@H](CC(=O)N[C@@H]1CCCc2cc(N)ccc21)C(C)(C)C ZINC000159342512 524380352 /nfs/dbraw/zinc/38/03/52/524380352.db2.gz FJPBFVSRXUSKCI-BLLLJJGKSA-N 0 0 288.435 3.835 10 0 CHAERN COc1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000127714464 524448323 /nfs/dbraw/zinc/44/83/23/524448323.db2.gz UYTGFHZUHUMYTC-AWEZNQCLSA-N 0 0 288.416 3.879 10 0 CHAERN C[C@@H](CCc1ccco1)Nc1ccc(Cl)cc1N ZINC000049564485 524547103 /nfs/dbraw/zinc/54/71/03/524547103.db2.gz CGFPFTOSLHVHKK-JTQLQIEISA-N 0 0 264.756 3.948 10 0 CHAERN Cc1cc(C=O)c(C)n1-c1nc(C(C)(C)C)cs1 ZINC000049496805 524609488 /nfs/dbraw/zinc/60/94/88/524609488.db2.gz MNOQFNFNGROUPF-UHFFFAOYSA-N 0 0 262.378 3.661 10 0 CHAERN COc1ccccc1NCc1c[nH]c2ccccc12 ZINC000048937197 524638544 /nfs/dbraw/zinc/63/85/44/524638544.db2.gz RSWXQYSUVORWDN-UHFFFAOYSA-N 0 0 252.317 3.789 10 0 CHAERN C[C@H]1CN(c2ccc(Cl)c(C(F)(F)F)c2)CCC1=O ZINC000049693687 524668706 /nfs/dbraw/zinc/66/87/06/524668706.db2.gz QOMPHCBGKHXMAI-QMMMGPOBSA-N 0 0 291.700 3.774 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@H](C)CC(C)C ZINC000037055364 524671994 /nfs/dbraw/zinc/67/19/94/524671994.db2.gz FQJDHIXXMZAZMM-LLVKDONJSA-N 0 0 264.369 3.500 10 0 CHAERN COc1ccc(NCc2cc(C)n(C)c2C)c(C)c1 ZINC000061566731 524679307 /nfs/dbraw/zinc/67/93/07/524679307.db2.gz NOPAMDZOPLCNHU-UHFFFAOYSA-N 0 0 258.365 3.571 10 0 CHAERN COc1ccc(N[C@H](C)c2csc(C)n2)cc1C ZINC000049528479 524710010 /nfs/dbraw/zinc/71/00/10/524710010.db2.gz ICGZNRLQUPFVKY-SNVBAGLBSA-N 0 0 262.378 3.942 10 0 CHAERN Cc1cc(CNc2cccnc2Cl)ccc1F ZINC000050545274 524792082 /nfs/dbraw/zinc/79/20/82/524792082.db2.gz RSOVVJLXALMDIP-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN COc1ccccc1[C@H](O)c1ccc(Cl)cc1F ZINC000062785510 524799329 /nfs/dbraw/zinc/79/93/29/524799329.db2.gz YTRTYCXNMGXHKZ-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN COc1ccccc1[C@H](O)C(C)(C)c1ccccc1 ZINC000062772991 524799960 /nfs/dbraw/zinc/79/99/60/524799960.db2.gz PMQHUUYYBLFQOQ-INIZCTEOSA-N 0 0 256.345 3.706 10 0 CHAERN Cc1ccc(F)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117567522 524823629 /nfs/dbraw/zinc/82/36/29/524823629.db2.gz HLNWCAMTZGNPNY-BZNIZROVSA-N 0 0 285.318 3.637 10 0 CHAERN C[C@H](NC(=O)CCC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000079727101 524928193 /nfs/dbraw/zinc/92/81/93/524928193.db2.gz XHSUHDCQUGHFHX-ZETCQYMHSA-N 0 0 297.679 3.999 10 0 CHAERN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2)CCO1 ZINC000070343840 524929365 /nfs/dbraw/zinc/92/93/65/524929365.db2.gz DXSZYZRZMSKSCV-JOYOIKCWSA-N 0 0 259.271 3.685 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccnc1-c1ccccc1 ZINC000189768055 525014734 /nfs/dbraw/zinc/01/47/34/525014734.db2.gz CCSXHHRHBSXLRR-HIFRSBDPSA-N 0 0 296.370 3.502 10 0 CHAERN Cc1cc(N)c(NC(=O)CC2CCCCC2)cc1C ZINC000050439174 525032985 /nfs/dbraw/zinc/03/29/85/525032985.db2.gz SNDCTLFPTPINLL-UHFFFAOYSA-N 0 0 260.381 3.795 10 0 CHAERN C[C@@H](NC(=O)C=C1CCC1)c1ccc(F)c(Cl)c1 ZINC000087176417 525073147 /nfs/dbraw/zinc/07/31/47/525073147.db2.gz WWVODVSNZMFZHP-SECBINFHSA-N 0 0 267.731 3.767 10 0 CHAERN Cc1ccccc1CN(C)c1ccccc1[C@@H](C)O ZINC000048872541 525130432 /nfs/dbraw/zinc/13/04/32/525130432.db2.gz KQPLYPYSCCYFJX-CQSZACIVSA-N 0 0 255.361 3.685 10 0 CHAERN Cc1ccccc1COc1cccc2c1CC[C@@H]2O ZINC000062800996 525175272 /nfs/dbraw/zinc/17/52/72/525175272.db2.gz HTOKDOBPQONCLU-INIZCTEOSA-N 0 0 254.329 3.554 10 0 CHAERN Cc1ccccc1C[S@@](=O)Cc1cc(N)ccc1Cl ZINC000054964449 525199949 /nfs/dbraw/zinc/19/99/49/525199949.db2.gz KZBGRGFIRDRDGN-IBGZPJMESA-N 0 0 293.819 3.680 10 0 CHAERN COc1ccc([C@@H](O)c2cc(C)ccc2F)cc1Cl ZINC000052998827 525211306 /nfs/dbraw/zinc/21/13/06/525211306.db2.gz ISLSCCULZHTYIH-OAHLLOKOSA-N 0 0 280.726 3.878 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000075515432 525326060 /nfs/dbraw/zinc/32/60/60/525326060.db2.gz NMXLESZEDVBSNQ-LDWIPMOCSA-N 0 0 283.158 3.613 10 0 CHAERN Cc1ccccc1[C@H](C)n1c(=S)[nH]nc1C1CC1 ZINC000049526419 525419770 /nfs/dbraw/zinc/41/97/70/525419770.db2.gz JASXWAIGRBJKLE-JTQLQIEISA-N 0 0 259.378 3.736 10 0 CHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2C[C@H]2C)cs1 ZINC000333407932 534865087 /nfs/dbraw/zinc/86/50/87/534865087.db2.gz GLZSQWCRTYYEKQ-RNCFNFMXSA-N 0 0 287.388 3.648 10 0 CHAERN C[C@H](Nc1c(N)ccc(F)c1F)C1CCCCC1 ZINC000053167797 525642333 /nfs/dbraw/zinc/64/23/33/525642333.db2.gz ZSHCVDXALLPFBQ-VIFPVBQESA-N 0 0 254.324 3.928 10 0 CHAERN C[C@H](Nc1ncnc(Cl)c1N)c1cccc(Cl)c1 ZINC000062363517 525685740 /nfs/dbraw/zinc/68/57/40/525685740.db2.gz FQXZOWYMYTZEID-ZETCQYMHSA-N 0 0 283.162 3.539 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2F)o1 ZINC000094203890 525716321 /nfs/dbraw/zinc/71/63/21/525716321.db2.gz IMXPXQJJRJZKLS-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN C[C@@H](Nc1ccnc(C(N)=S)c1)c1ccc(Cl)s1 ZINC000061812889 525721101 /nfs/dbraw/zinc/72/11/01/525721101.db2.gz GLVLNGWOTKLSPP-SSDOTTSWSA-N 0 0 297.836 3.604 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncc(Br)cc2N)o1 ZINC000049194214 525753986 /nfs/dbraw/zinc/75/39/86/525753986.db2.gz HTZOSHULIKCOGO-MRVPVSSYSA-N 0 0 296.168 3.501 10 0 CHAERN CC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000096886988 534879775 /nfs/dbraw/zinc/87/97/75/534879775.db2.gz QMKLDEVQXIEOFM-UHFFFAOYSA-N 0 0 275.348 3.577 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000127573012 525803573 /nfs/dbraw/zinc/80/35/73/525803573.db2.gz ZZBLGKNIVWORMP-LBPRGKRZSA-N 0 0 290.388 3.720 10 0 CHAERN C[C@@H](O)Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000062771136 525844279 /nfs/dbraw/zinc/84/42/79/525844279.db2.gz CPFXKDLYCKTVMZ-SECBINFHSA-N 0 0 270.250 3.889 10 0 CHAERN C[C@H](O)c1ccc(C(F)(F)F)cc1Br ZINC000062723749 525851848 /nfs/dbraw/zinc/85/18/48/525851848.db2.gz XPFDDYBJCCPXTL-YFKPBYRVSA-N 0 0 269.060 3.521 10 0 CHAERN C[C@H](O)c1ccc(N(C)[C@@H](C)C2CC2)c(Cl)c1 ZINC000061695446 525856810 /nfs/dbraw/zinc/85/68/10/525856810.db2.gz IISQKGAXHYOJTF-UWVGGRQHSA-N 0 0 253.773 3.628 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000058826172 525868560 /nfs/dbraw/zinc/86/85/60/525868560.db2.gz SWGKNCIWWGXBOM-GHMZBOCLSA-N 0 0 253.773 3.630 10 0 CHAERN C[C@@H](O)c1ccc(OCc2ccc(F)cc2F)cc1 ZINC000050885068 525869039 /nfs/dbraw/zinc/86/90/39/525869039.db2.gz LFFDSPRVBDSMJN-SNVBAGLBSA-N 0 0 264.271 3.597 10 0 CHAERN C[C@@H](O)c1ccc(N2Cc3ccccc3C2)c(Cl)c1 ZINC000061697062 525869841 /nfs/dbraw/zinc/86/98/41/525869841.db2.gz UVYPOISHYIKJNI-LLVKDONJSA-N 0 0 273.763 3.914 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCO[C@@H](C)CC(C)C)o1 ZINC000087104780 525888501 /nfs/dbraw/zinc/88/85/01/525888501.db2.gz XMUOAEJJTWQTAR-KBPBESRZSA-N 0 0 281.396 3.607 10 0 CHAERN CSc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085628709 526046028 /nfs/dbraw/zinc/04/60/28/526046028.db2.gz FBYFBTURLGSHCN-MJBXVCDLSA-N 0 0 263.406 3.634 10 0 CHAERN C[C@H](c1ccc(F)cc1)n1c(C2CC2)n[nH]c1=S ZINC000049509927 526064805 /nfs/dbraw/zinc/06/48/05/526064805.db2.gz IRLSXKZPOQUOKD-MRVPVSSYSA-N 0 0 263.341 3.566 10 0 CHAERN C[C@@H](c1cccc(Cl)c1)[N@H+](C)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062756919 526070623 /nfs/dbraw/zinc/07/06/23/526070623.db2.gz VHLXBCWVAAWWEN-LEWSCRJBSA-N 0 0 281.783 3.586 10 0 CHAERN C[C@H](c1ccccc1F)n1c(C2CC2)n[nH]c1=S ZINC000049531414 526119566 /nfs/dbraw/zinc/11/95/66/526119566.db2.gz MLRQSRCYMZATMT-MRVPVSSYSA-N 0 0 263.341 3.566 10 0 CHAERN Cc1cc(Br)ccc1Nc1ncc(N)cc1C ZINC000052812424 526173118 /nfs/dbraw/zinc/17/31/18/526173118.db2.gz VMCDNZCUZCLPMR-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN Cc1nn(Cc2ccc(F)c(Br)c2)c(C)c1C ZINC000049600697 526290438 /nfs/dbraw/zinc/29/04/38/526290438.db2.gz UVLJOZNDAKUBMA-UHFFFAOYSA-N 0 0 297.171 3.758 10 0 CHAERN O[C@H](c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000052897669 526301034 /nfs/dbraw/zinc/30/10/34/526301034.db2.gz KZSXKBOGSXKQBR-CYBMUJFWSA-N 0 0 270.225 3.926 10 0 CHAERN Fc1ccc(Nc2ncnc3c2CCC3)cc1Cl ZINC000061276678 526355085 /nfs/dbraw/zinc/35/50/85/526355085.db2.gz WZYMUXYLOMNDKG-UHFFFAOYSA-N 0 0 263.703 3.501 10 0 CHAERN O=C(c1ccccc1F)c1ccc(Cl)cc1F ZINC000062785288 526806511 /nfs/dbraw/zinc/80/65/11/526806511.db2.gz XWYRBYMXLMHYSP-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN O=C(c1cccs1)c1ccccc1OC(F)(F)F ZINC000055199080 526838399 /nfs/dbraw/zinc/83/83/99/526838399.db2.gz GMALGBOOBLKIMR-UHFFFAOYSA-N 0 0 272.247 3.878 10 0 CHAERN Cc1sc(C(=O)N[C@H]2CCCc3sccc32)cc1N ZINC000061330505 526873446 /nfs/dbraw/zinc/87/34/46/526873446.db2.gz QUBPTBHWIVXPAK-NSHDSACASA-N 0 0 292.429 3.508 10 0 CHAERN Clc1cc(Cl)c(NCCn2cccn2)cc1Cl ZINC000049314040 526928191 /nfs/dbraw/zinc/92/81/91/526928191.db2.gz VYCHZUOPVLHHPB-UHFFFAOYSA-N 0 0 290.581 3.955 10 0 CHAERN Cc1nc(Cl)cc(N2c3ccccc3CC[C@@H]2C)n1 ZINC000052835397 526934228 /nfs/dbraw/zinc/93/42/28/526934228.db2.gz MNTJXNHDKQJECY-JTQLQIEISA-N 0 0 273.767 3.911 10 0 CHAERN Cc1nc(Cl)cc(N2c3ccccc3CC[C@H]2C)n1 ZINC000052835402 526934235 /nfs/dbraw/zinc/93/42/35/526934235.db2.gz MNTJXNHDKQJECY-SNVBAGLBSA-N 0 0 273.767 3.911 10 0 CHAERN Clc1ncc(-c2cccc(Br)c2)cn1 ZINC000049861127 527008985 /nfs/dbraw/zinc/00/89/85/527008985.db2.gz YXOYPJNSMXKDQR-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1nc([C@@H](C)N[C@H]2CCOc3ccccc32)cs1 ZINC000037074420 527034273 /nfs/dbraw/zinc/03/42/73/527034273.db2.gz RPOZHSBEWUGQRX-MFKMUULPSA-N 0 0 274.389 3.626 10 0 CHAERN Cc1nc2ccc(NC(=O)C[C@H](C)C(C)C)cc2o1 ZINC000067798696 527141007 /nfs/dbraw/zinc/14/10/07/527141007.db2.gz ZFKNFIPWSUNJFV-JTQLQIEISA-N 0 0 260.337 3.757 10 0 CHAERN Cc1nc2ccccc2nc1N[C@H](C)c1ccco1 ZINC000044782155 527174139 /nfs/dbraw/zinc/17/41/39/527174139.db2.gz SADHPDCGGXSDPS-SNVBAGLBSA-N 0 0 253.305 3.704 10 0 CHAERN O=C(Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049576071 527224627 /nfs/dbraw/zinc/22/46/27/527224627.db2.gz LODZVDNYXZPJGL-UHFFFAOYSA-N 0 0 284.117 3.953 10 0 CHAERN O=C(Cc1cccs1)Cc1ccc(Cl)cc1 ZINC000052900086 527300711 /nfs/dbraw/zinc/30/07/11/527300711.db2.gz ZZWGQOFOXIHXKX-UHFFFAOYSA-N 0 0 250.750 3.756 10 0 CHAERN Nc1cc(C(F)F)nc2ccc(OC(F)(F)F)cc12 ZINC000061629635 527449258 /nfs/dbraw/zinc/44/92/58/527449258.db2.gz DIYNPCODFKFQSZ-UHFFFAOYSA-N 0 0 278.180 3.653 10 0 CHAERN Nc1cc(Cl)ccc1CSCc1ccco1 ZINC000050443839 527452207 /nfs/dbraw/zinc/45/22/07/527452207.db2.gz JUJCKBOGBJWDEM-UHFFFAOYSA-N 0 0 253.754 3.949 10 0 CHAERN Nc1ccc(Cl)c(-c2nncn2C2CCCCC2)c1 ZINC000054526571 527483469 /nfs/dbraw/zinc/48/34/69/527483469.db2.gz HFWTZVGGHJIXPV-UHFFFAOYSA-N 0 0 276.771 3.686 10 0 CHAERN Nc1ccc(Cl)c(CSc2ccc(F)cc2)n1 ZINC000061640621 527485922 /nfs/dbraw/zinc/48/59/22/527485922.db2.gz OPLAVBPVGRAOOE-UHFFFAOYSA-N 0 0 268.744 3.749 10 0 CHAERN Nc1ccc2nc(-c3ccc(Cl)s3)oc2c1 ZINC000051172050 527509332 /nfs/dbraw/zinc/50/93/32/527509332.db2.gz REFADYXSGBKMAL-UHFFFAOYSA-N 0 0 250.710 3.792 10 0 CHAERN O=C(NC1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109078823 527515489 /nfs/dbraw/zinc/51/54/89/527515489.db2.gz XGTWEGZMEWKJCX-QWHCGFSZSA-N 0 0 279.330 3.517 10 0 CHAERN Cc1ncsc1[C@@H](C)Nc1ccccc1[C@H](C)O ZINC000049543111 527518070 /nfs/dbraw/zinc/51/80/70/527518070.db2.gz LKWNADKNAILCCO-MNOVXSKESA-N 0 0 262.378 3.678 10 0 CHAERN Nc1nc(-c2cccc(Cl)c2F)nc2sccc21 ZINC000062606559 527540498 /nfs/dbraw/zinc/54/04/98/527540498.db2.gz IELMOHLFDLPPGK-UHFFFAOYSA-N 0 0 279.727 3.733 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c2ncccc12 ZINC000087408388 527697268 /nfs/dbraw/zinc/69/72/68/527697268.db2.gz MSIDHNKLDPFKDX-GFCCVEGCSA-N 0 0 280.375 3.758 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C)cc1Cl ZINC000087407227 527700358 /nfs/dbraw/zinc/70/03/58/527700358.db2.gz OYZHDELUDSEEPC-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN CCC[C@]1(COC)CCCN1c1ncnc2c(C)cccc21 ZINC000302831026 528526702 /nfs/dbraw/zinc/52/67/02/528526702.db2.gz QNQHBXIRLOQSMC-GOSISDBHSA-N 0 0 299.418 3.724 10 0 CHAERN CC(C)c1cc2nc(C(F)(F)C(F)F)nn2c(Cl)c1 ZINC000725246755 567908412 /nfs/dbraw/zinc/90/84/12/567908412.db2.gz VUMTZQHTIXBIDW-UHFFFAOYSA-N 0 0 295.667 3.863 10 0 CHAERN CCC[C@H](C)c1cc(C=O)sc1C(=O)OCC ZINC000675057721 570364947 /nfs/dbraw/zinc/36/49/47/570364947.db2.gz LOVOEGSXWGSXOG-VIFPVBQESA-N 0 0 254.351 3.641 10 0 CHAERN CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC1 ZINC000675059163 570365491 /nfs/dbraw/zinc/36/54/91/570365491.db2.gz AJASNCMSFPRBMJ-FUUBYGMNSA-N 0 0 281.440 3.539 10 0 CHAERN COc1cc2oc(-c3cc(O)cc(O)c3)cc2c(OC)c1 ZINC000000897872 560179074 /nfs/dbraw/zinc/17/90/74/560179074.db2.gz DCCBMAKQGXCAQH-UHFFFAOYSA-N 0 0 286.283 3.528 10 0 in-vitro CHAERN COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1 ZINC000000900127 560179425 /nfs/dbraw/zinc/17/94/25/560179425.db2.gz GARIOWCJZYSSOE-UHFFFAOYSA-N 0 0 283.327 3.723 10 0 in-vitro CHAERN C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000003814416 560189694 /nfs/dbraw/zinc/18/96/94/560189694.db2.gz MUENRDYXOADTOC-ZBRFXRBCSA-N 0 0 256.389 3.904 10 0 in-vitro CHAERN Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 ZINC000004802128 560200025 /nfs/dbraw/zinc/20/00/25/560200025.db2.gz YFECXKBRYLRUTI-QSUVVDIXSA-N 0 0 286.415 3.918 10 0 in-vitro CHAERN O=C(CCc1ccccc1)C[C@H](O)CCc1ccccc1 ZINC000015121931 560228794 /nfs/dbraw/zinc/22/87/94/560228794.db2.gz CCNKTMMNRPJQHV-GOSISDBHSA-N 0 0 282.383 3.572 10 0 biogenic,in-vitro CHAERN CCCc1cc2nc(C(C)C)nn2c(Br)c1 ZINC000725248245 566862160 /nfs/dbraw/zinc/86/21/60/566862160.db2.gz PLLFKJXIASAVEJ-UHFFFAOYSA-N 0 0 282.185 3.568 10 0 CHAERN Clc1ccc2c(c1)N[C@H](c1ccsc1)CO2 ZINC000328579423 566897799 /nfs/dbraw/zinc/89/77/99/566897799.db2.gz HNXOJLSCLWKVMX-NSHDSACASA-N 0 0 251.738 3.947 10 0 CHAERN CN(NC(=S)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000000041371 566945759 /nfs/dbraw/zinc/94/57/59/566945759.db2.gz IFMBNACEYYQNIB-UHFFFAOYSA-N 0 0 291.807 3.678 10 0 CHAERN CCc1cc(C)nc2cc(I)ccc12 ZINC000669372574 566949394 /nfs/dbraw/zinc/94/93/94/566949394.db2.gz SEPIXPDLKJMDQT-UHFFFAOYSA-N 0 0 297.139 3.710 10 0 CHAERN Nc1c(F)ccc(-c2cncc(C(F)F)c2)c1F ZINC000675056832 567021859 /nfs/dbraw/zinc/02/18/59/567021859.db2.gz QEXVJVCYMSZTNC-UHFFFAOYSA-N 0 0 256.202 3.547 10 0 CHAERN COc1ccc(COC(=O)Nc2ccc(F)cc2)cc1 ZINC000048547178 567090649 /nfs/dbraw/zinc/09/06/49/567090649.db2.gz ISWJVNSOIIZTKK-UHFFFAOYSA-N 0 0 275.279 3.583 10 0 CHAERN Cn1c2ccccc2n(CC(=O)c2ccccc2)c1=S ZINC000048554369 567091027 /nfs/dbraw/zinc/09/10/27/567091027.db2.gz LDDSGEBFCIPHNV-UHFFFAOYSA-N 0 0 282.368 3.592 10 0 CHAERN CCOC(=O)NC1c2ccccc2Sc2ccccc21 ZINC000000042669 567816914 /nfs/dbraw/zinc/81/69/14/567816914.db2.gz KJJGBDBZTCRGAD-UHFFFAOYSA-N 0 0 285.368 3.987 10 0 CHAERN S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001028299 567835719 /nfs/dbraw/zinc/83/57/19/567835719.db2.gz QPUBAQHSJFYHIW-GBIKHYSHSA-N 0 0 278.808 3.591 10 0 CHAERN CCO[P@](=O)(Cc1ccccc1)c1ccccc1 ZINC000003159947 567851608 /nfs/dbraw/zinc/85/16/08/567851608.db2.gz KTRAQBGVAPZWBC-GOSISDBHSA-N 0 0 260.273 3.827 10 0 CHAERN O=C(NCc1ccco1)c1cc2cn(C3CC3)cc2s1 ZINC000065285638 567876114 /nfs/dbraw/zinc/87/61/14/567876114.db2.gz KZCRLVLGGIEWTK-UHFFFAOYSA-N 0 0 286.356 3.561 10 0 CHAERN CN(C)c1ncc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000584881612 567882738 /nfs/dbraw/zinc/88/27/38/567882738.db2.gz XEGARLAFRLYJIZ-UHFFFAOYSA-N 0 0 284.256 3.973 10 0 CHAERN BrC(Br)=Cc1ccsc1 ZINC000141326483 567897213 /nfs/dbraw/zinc/89/72/13/567897213.db2.gz NDTRBIHOEKWYQD-UHFFFAOYSA-N 0 0 267.973 3.836 10 0 CHAERN CCn1nc(-c2ccccc2)c(Br)c1C ZINC000409442790 567899819 /nfs/dbraw/zinc/89/98/19/567899819.db2.gz AOOQLOWEYHUANL-UHFFFAOYSA-N 0 0 265.154 3.641 10 0 CHAERN Nc1cc(Cl)c(-n2ccc(C(F)(F)F)n2)c(Cl)c1 ZINC000068591935 567901224 /nfs/dbraw/zinc/90/12/24/567901224.db2.gz DQMOQAFPBRJDNY-UHFFFAOYSA-N 0 0 296.079 3.780 10 0 CHAERN O[C@H]1CCc2c1nc(Cl)cc2-c1ccc(F)cc1 ZINC000082049708 567906783 /nfs/dbraw/zinc/90/67/83/567906783.db2.gz XCBXUHNNZASBNC-LBPRGKRZSA-N 0 0 263.699 3.521 10 0 CHAERN C[Si](C)(C)CCSCc1nsc(Cl)n1 ZINC000725245720 567908130 /nfs/dbraw/zinc/90/81/30/567908130.db2.gz LYFLHVRIPZKQQE-UHFFFAOYSA-N 0 0 266.895 3.763 10 0 CHAERN CCc1cc2nc(CC(C)(C)C)nn2c(Cl)c1 ZINC000725245760 567908146 /nfs/dbraw/zinc/90/81/46/567908146.db2.gz GBVFFKAWFRVWFN-UHFFFAOYSA-N 0 0 251.761 3.534 10 0 CHAERN CC(C)(C)c1nc2cc(CC3CC3)cc(Cl)n2n1 ZINC000725245458 567908338 /nfs/dbraw/zinc/90/83/38/567908338.db2.gz IECJLUSBFNAMBR-UHFFFAOYSA-N 0 0 263.772 3.633 10 0 CHAERN CCc1cc2nc(C(C)(C)CC)nn2c(Cl)c1 ZINC000725246501 567908475 /nfs/dbraw/zinc/90/84/75/567908475.db2.gz OBBJAJCFTBJAAX-UHFFFAOYSA-N 0 0 251.761 3.633 10 0 CHAERN CCCCc1nc2cc(C(C)C)cc(Br)n2n1 ZINC000725247969 567908525 /nfs/dbraw/zinc/90/85/25/567908525.db2.gz FQXYHUHPJQFCAS-UHFFFAOYSA-N 0 0 296.212 3.958 10 0 CHAERN Oc1ccc(NCCCC(F)(F)C(F)(F)F)cc1 ZINC000098211046 567911643 /nfs/dbraw/zinc/91/16/43/567911643.db2.gz FZSWMVBKTWLFCA-UHFFFAOYSA-N 0 0 269.213 3.782 10 0 CHAERN Brc1cccc2ncn(C3CCC3)c21 ZINC000725253535 567911036 /nfs/dbraw/zinc/91/10/36/567911036.db2.gz QXLCBHTUJVIUIO-UHFFFAOYSA-N 0 0 251.127 3.524 10 0 CHAERN C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)c2cccc(F)c2N1 ZINC000725254009 567912218 /nfs/dbraw/zinc/91/22/18/567912218.db2.gz ZKHCKDIWTZBJSK-GHMZBOCLSA-N 0 0 279.355 3.845 10 0 CHAERN COc1ccc2c(c1)[C@H](CC(=O)OC(C)(C)C)C[C@@H](C)N2 ZINC000725253983 567912356 /nfs/dbraw/zinc/91/23/56/567912356.db2.gz XNIVNUDJEKZZQN-NEPJUHHUSA-N 0 0 291.391 3.715 10 0 CHAERN CCc1ccc(OC(F)F)c(Br)c1 ZINC000725261151 567917276 /nfs/dbraw/zinc/91/72/76/567917276.db2.gz QCHQKBJJPKRARW-UHFFFAOYSA-N 0 0 251.070 3.613 10 0 CHAERN CC1CCN(c2cc(N)ccc2C(F)(F)F)CC1 ZINC000725263406 567922942 /nfs/dbraw/zinc/92/29/42/567922942.db2.gz AADDSWOFKGSUHY-UHFFFAOYSA-N 0 0 258.287 3.524 10 0 CHAERN C[C@@H]1CCCN(c2cc(N)ccc2C(F)(F)F)[C@@H]1C ZINC000725263642 567922990 /nfs/dbraw/zinc/92/29/90/567922990.db2.gz YFEOCEOYEHITLI-NXEZZACHSA-N 0 0 272.314 3.912 10 0 CHAERN CCC(C)(C)[C@@H]1CCc2nn(C(C)(C)C)c(N)c2C1 ZINC000725265586 567923419 /nfs/dbraw/zinc/92/34/19/567923419.db2.gz LOGMMZXNOKUGBY-LLVKDONJSA-N 0 0 263.429 3.761 10 0 CHAERN COCC[C@@H](CNc1ccsc1)c1ccccc1 ZINC000725266742 567923841 /nfs/dbraw/zinc/92/38/41/567923841.db2.gz AWYWSJKEMUFWHJ-AWEZNQCLSA-N 0 0 261.390 3.980 10 0 CHAERN CC(C)(C)Cc1nc2cc(Cl)ccc2cc1NN ZINC000725268270 567924095 /nfs/dbraw/zinc/92/40/95/567924095.db2.gz KQJPCZGPFAJOHA-UHFFFAOYSA-N 0 0 263.772 3.762 10 0 CHAERN CCn1cc(C(F)F)c(-c2cc(F)ccc2F)n1 ZINC000725271063 567924635 /nfs/dbraw/zinc/92/46/35/567924635.db2.gz WEOFCEBFMJIVJJ-UHFFFAOYSA-N 0 0 258.218 3.786 10 0 CHAERN CC(C)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725242950 570255158 /nfs/dbraw/zinc/25/51/58/570255158.db2.gz CCFNIORJXDCVQZ-UHFFFAOYSA-N 0 0 263.650 3.525 10 0 CHAERN COC(=O)c1oc(CSCC[Si](C)(C)C)cc1C ZINC000725246451 570255801 /nfs/dbraw/zinc/25/58/01/570255801.db2.gz WHYZKBBQFSUYMO-UHFFFAOYSA-N 0 0 286.469 3.946 10 0 CHAERN COc1c(Cl)cc(Br)c2ncccc21 ZINC000216624162 570305860 /nfs/dbraw/zinc/30/58/60/570305860.db2.gz QUVMREUPROERKN-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN c1cc(NCc2nc3c(s2)CCCC3)cs1 ZINC000669383884 570352904 /nfs/dbraw/zinc/35/29/04/570352904.db2.gz ZWUTWCCGHIIZIF-UHFFFAOYSA-N 0 0 250.392 3.696 10 0 CHAERN O=C1C[C@@H](C(F)(F)F)Sc2ccc(Cl)cc21 ZINC000675059426 570365375 /nfs/dbraw/zinc/36/53/75/570365375.db2.gz IAFFWOSJPYKNLJ-VIFPVBQESA-N 0 0 266.671 3.949 10 0 CHAERN CC/C(=C/N1CCCC1)C(=S)NC1CCCCC1 ZINC000198750873 570380449 /nfs/dbraw/zinc/38/04/49/570380449.db2.gz XVKGLULSEREMBM-SEYXRHQNSA-N 0 0 266.454 3.626 10 0 CHAERN CCC(CC)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406020140 570411556 /nfs/dbraw/zinc/41/15/56/570411556.db2.gz NAGOKRMXJLCSJV-CYBMUJFWSA-N 0 0 291.391 3.697 10 0 CHAERN CCc1nn2c(c1Br)N[C@@H](CC)C[C@@H]2CC ZINC000234097592 570411851 /nfs/dbraw/zinc/41/18/51/570411851.db2.gz ZMVDWTLECDWIGW-IUCAKERBSA-N 0 0 286.217 3.753 10 0 CHAERN CCc1nn2c(c1Br)NCC[C@@H]2C(C)(C)C ZINC000234186271 570412054 /nfs/dbraw/zinc/41/20/54/570412054.db2.gz LXKGNPZYGOUNCH-SECBINFHSA-N 0 0 286.217 3.611 10 0 CHAERN CCCC[C@@H](CC)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000692609744 954704172 /nfs/dbraw/zinc/70/41/72/954704172.db2.gz DHBQKZZAGUUGTI-CYBMUJFWSA-N 0 0 257.418 3.636 10 0 CHAERN Fc1cccc(N2CC=C(c3cccs3)CC2)n1 ZINC000301291144 1123888086 /nfs/dbraw/zinc/88/80/86/1123888086.db2.gz PBZSZZRKMXSQGT-UHFFFAOYSA-N 0 0 260.337 3.576 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1CCC12CCCCC2 ZINC000366779727 1127747631 /nfs/dbraw/zinc/74/76/31/1127747631.db2.gz SYQMSRKXSRTACR-UHFFFAOYSA-N 0 0 283.293 3.653 10 0 CHAERN Cc1nc(Cl)cc(-c2ccc(Br)s2)n1 ZINC000409432185 1118545069 /nfs/dbraw/zinc/54/50/69/1118545069.db2.gz UZVOLRYQBUJEGW-UHFFFAOYSA-N 0 0 289.585 3.929 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)OCC(F)(F)F ZINC000588401151 1118545742 /nfs/dbraw/zinc/54/57/42/1118545742.db2.gz CHVYDDDUOFVVCD-YFHOEESVSA-N 0 0 258.239 3.504 10 0 CHAERN CCc1noc(C)c1NC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588401387 1118545850 /nfs/dbraw/zinc/54/58/50/1118545850.db2.gz KDPXLBDFYSWMHI-BENRWUELSA-N 0 0 284.359 3.896 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)O[C@H](C)C(F)(F)F ZINC000588402017 1118546834 /nfs/dbraw/zinc/54/68/34/1118546834.db2.gz ASQZYVHZOBDIEV-HIJJYWJESA-N 0 0 272.266 3.892 10 0 CHAERN CC(C)(C)C1CCC(OC(=O)/C=C\c2ccncn2)CC1 ZINC000588435819 1118732280 /nfs/dbraw/zinc/73/22/80/1118732280.db2.gz WEVSFHQHMLUOAN-TWGQIWQCSA-N 0 0 288.391 3.638 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCCC(=O)N2)n1 ZINC000328876932 1118752559 /nfs/dbraw/zinc/75/25/59/1118752559.db2.gz KIMPRWUFKAFNOK-WOPDTQHZSA-N 0 0 277.368 3.935 10 0 CHAERN C/C(=C/C(=O)OC1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000588448665 1118788400 /nfs/dbraw/zinc/78/84/00/1118788400.db2.gz FVVPDVGRCDBDRD-LZNODDDYSA-N 0 0 292.350 3.728 10 0 CHAERN O=C(CC/C=C\c1ccccc1)OCCC[C@@H]1CCCO1 ZINC000588448922 1118789022 /nfs/dbraw/zinc/78/90/22/1118789022.db2.gz DAUJOKLIEHJVQQ-JDZBVEAQSA-N 0 0 288.387 3.982 10 0 CHAERN CCCN(Cc1ccccc1)C(=O)/C=C\c1ncccc1C ZINC000588451243 1118797825 /nfs/dbraw/zinc/79/78/25/1118797825.db2.gz QBWCZMDIBAHBSO-QXMHVHEDSA-N 0 0 294.398 3.842 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCCC[C@H]1CC(C)C ZINC000588453723 1118799750 /nfs/dbraw/zinc/79/97/50/1118799750.db2.gz JJUQCHCCOXNTMO-YDZSZYSISA-N 0 0 286.419 3.830 10 0 CHAERN CC[C@H]1CCCCCN1C(=O)/C=C\c1ccc(O)cc1 ZINC000588465521 1118836723 /nfs/dbraw/zinc/83/67/23/1118836723.db2.gz WGZSRKLUGXPWBD-LMRWQKIVSA-N 0 0 273.376 3.587 10 0 CHAERN CC(C)N(C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000102224643 1118941572 /nfs/dbraw/zinc/94/15/72/1118941572.db2.gz IGUKOZNVICLUJK-UHFFFAOYSA-N 0 0 298.224 3.594 10 0 CHAERN CC1(C)CCCN1C(=O)Cc1ccccc1C(F)(F)F ZINC000104409762 1118970104 /nfs/dbraw/zinc/97/01/04/1118970104.db2.gz VOMGYMSYTYILBJ-UHFFFAOYSA-N 0 0 285.309 3.649 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)NCc1ccn(C2CCCC2)n1 ZINC000588498918 1119005066 /nfs/dbraw/zinc/00/50/66/1119005066.db2.gz BPKHYMVSQZDAOI-QBFSEMIESA-N 0 0 289.423 3.607 10 0 CHAERN CCC(C)(C)[C@H]1CCCN1C(=O)/C=C\c1scnc1C ZINC000588519730 1119086983 /nfs/dbraw/zinc/08/69/83/1119086983.db2.gz OZDUBIZSMUBFEU-QIAWRQBBSA-N 0 0 292.448 3.892 10 0 CHAERN C/C=C(/CC)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000588567073 1119277249 /nfs/dbraw/zinc/27/72/49/1119277249.db2.gz UNRBGKMWDYXILO-WMZJFQQLSA-N 0 0 269.747 3.794 10 0 CHAERN O=C(c1cc(Cl)ccc1O)N1CCCC12CCCC2 ZINC000365537981 1119366102 /nfs/dbraw/zinc/36/61/02/1119366102.db2.gz MPVJHNJXACKUJJ-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN COC[C@@H](NC(=O)/C=C/C(C)(C)C)c1ccc(Cl)cc1 ZINC000588602369 1119536995 /nfs/dbraw/zinc/53/69/95/1119536995.db2.gz GWBSPZWTGZBJLP-ATWMFIQVSA-N 0 0 295.810 3.746 10 0 CHAERN COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Cl ZINC000000170957 1119756594 /nfs/dbraw/zinc/75/65/94/1119756594.db2.gz BEGKFDPUBVELIU-UHFFFAOYSA-N 0 0 297.141 3.649 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)c1O ZINC000178774238 1120235763 /nfs/dbraw/zinc/23/57/63/1120235763.db2.gz ODWDMNUQSJKVQQ-DIFFPNOSSA-N 0 0 297.354 3.512 10 0 CHAERN C[C@@H]1CC(c2noc(-c3ccncc3)n2)C[C@@H](C)C1 ZINC000408224405 1120947257 /nfs/dbraw/zinc/94/72/57/1120947257.db2.gz HEGHSENXXVMKGN-QWRGUYRKSA-N 0 0 257.337 3.671 10 0 CHAERN C[C@@H](NC(=O)Nc1cccc2ccsc21)[C@H]1CCCO1 ZINC000332699431 1121472768 /nfs/dbraw/zinc/47/27/68/1121472768.db2.gz RBLUTKAKQXPECC-ZWNOBZJWSA-N 0 0 290.388 3.590 10 0 CHAERN CCc1oc(C(=O)N[C@@H]2CCCc3c(O)cccc32)cc1C ZINC000190324345 1123154790 /nfs/dbraw/zinc/15/47/90/1123154790.db2.gz RRVNESFGZWFZCY-CQSZACIVSA-N 0 0 299.370 3.663 10 0 CHAERN CCc1ocnc1-c1nc(C2C[C@H](C)C[C@@H](C)C2)no1 ZINC000329710546 1123647649 /nfs/dbraw/zinc/64/76/49/1123647649.db2.gz MIBYYNVNOOGINN-NXEZZACHSA-N 0 0 275.352 3.827 10 0 CHAERN Cc1ccc(Cc2nc(C3C[C@H](C)C[C@@H](C)C3)no2)cn1 ZINC000329732524 1123651423 /nfs/dbraw/zinc/65/14/23/1123651423.db2.gz QGHMRWMQVMAEPW-VXGBXAGGSA-N 0 0 285.391 3.904 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCCC[C@@H]3C)c21 ZINC000103317305 1123785326 /nfs/dbraw/zinc/78/53/26/1123785326.db2.gz HIMBJILPKUUQRJ-AWEZNQCLSA-N 0 0 299.418 3.603 10 0 CHAERN CC(C)c1nccc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n1 ZINC000302829530 1123986092 /nfs/dbraw/zinc/98/60/92/1123986092.db2.gz PIDYUZHXRUWKJC-LLVKDONJSA-N 0 0 298.342 3.805 10 0 CHAERN Cc1nc([C@H]2CCCCCN2C(=O)C[C@@H](C)C(C)C)no1 ZINC000364096962 1125263989 /nfs/dbraw/zinc/26/39/89/1125263989.db2.gz DNAFPNWHSOEHLS-TZMCWYRMSA-N 0 0 293.411 3.504 10 0 CHAERN COc1ccccc1CCN(C)C(=O)CCC1CCCC1 ZINC000104456131 1125386905 /nfs/dbraw/zinc/38/69/05/1125386905.db2.gz QEBZAFQHKRQDCB-UHFFFAOYSA-N 0 0 289.419 3.667 10 0 CHAERN Cc1occc1CN(C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727006 1125409908 /nfs/dbraw/zinc/40/99/08/1125409908.db2.gz DSQQYYMPUTUKMF-GFCCVEGCSA-N 0 0 297.358 3.831 10 0 CHAERN CC[C@H](C)c1ccc(OC(=O)c2cscn2)cc1 ZINC000103329525 1129747757 /nfs/dbraw/zinc/74/77/57/1129747757.db2.gz FQXFTYXNBWGBMZ-JTQLQIEISA-N 0 0 261.346 3.876 10 0 CHAERN Cc1cccc(NC(=O)/C=C/c2ccccc2Cl)n1 ZINC000000579424 1129765235 /nfs/dbraw/zinc/76/52/35/1129765235.db2.gz FMNGBDFVBJLODA-MDZDMXLPSA-N 0 0 272.735 3.695 10 0 CHAERN CC1CCC(C[NH2+]CCC(C)(C)CCC(=O)[O-])CC1 ZINC000336817411 334926239 /nfs/dbraw/zinc/92/62/39/334926239.db2.gz QGHOQAXFDLXHDT-UHFFFAOYSA-N 0 0 269.429 3.683 10 0 CHAERN Nc1ncc(-c2ccc(Cl)cc2)cc1Br ZINC000095630032 185016839 /nfs/dbraw/zinc/01/68/39/185016839.db2.gz HGDZWURFOKDPAX-UHFFFAOYSA-N 0 0 283.556 3.747 10 0 CHAERN CC(C)c1ccnc(Br)c1OC1CC1 ZINC000095720367 185019442 /nfs/dbraw/zinc/01/94/42/185019442.db2.gz BMCIYTRJDJXRNK-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN COCc1nc(Cl)cc(NCc2ccc(Cl)cc2)n1 ZINC000082509876 178076663 /nfs/dbraw/zinc/07/66/63/178076663.db2.gz UFDYESDYUSXIKV-UHFFFAOYSA-N 0 0 298.173 3.542 10 0 CHAERN CC(=O)c1cc(Cl)cc(CNC(=O)OC(C)(C)C)c1 ZINC000095764603 185026910 /nfs/dbraw/zinc/02/69/10/185026910.db2.gz QWXABKFZOCNMBD-UHFFFAOYSA-N 0 0 283.755 3.567 10 0 CHAERN Nc1cnc(Nc2ccccc2Br)c(Cl)c1 ZINC000082587288 178125261 /nfs/dbraw/zinc/12/52/61/178125261.db2.gz RAWTYWJTYDMHMC-UHFFFAOYSA-N 0 0 298.571 3.823 10 0 CHAERN CCOC(=O)N1C[C@]2(CCC1(C)C)OC(C)(C)C2(C)C ZINC000095937313 185034039 /nfs/dbraw/zinc/03/40/39/185034039.db2.gz HGIOTZJJVWIQLO-INIZCTEOSA-N 0 0 283.412 3.591 10 0 CHAERN CCOC(=O)N1C[C@@]2(CCC1(C)C)OC(C)(C)C2(C)C ZINC000095937314 185034445 /nfs/dbraw/zinc/03/44/45/185034445.db2.gz HGIOTZJJVWIQLO-MRXNPFEDSA-N 0 0 283.412 3.591 10 0 CHAERN CC(C)(C(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1 ZINC000082698455 178198876 /nfs/dbraw/zinc/19/88/76/178198876.db2.gz KOKGFHXXTCRBQL-UHFFFAOYSA-N 0 0 288.778 3.839 10 0 CHAERN CN[C@H](Cc1cccc2ccccc21)C(F)(F)F ZINC000082717576 178232464 /nfs/dbraw/zinc/23/24/64/178232464.db2.gz MYFSYLIRRUJNOW-CYBMUJFWSA-N 0 0 253.267 3.533 10 0 CHAERN CCOC(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000082725068 178241019 /nfs/dbraw/zinc/24/10/19/178241019.db2.gz NXNCZXVERAUAKD-UHFFFAOYSA-N 0 0 253.512 3.824 10 0 CHAERN Cc1nc(Cl)c2ccccc2c1Br ZINC000082767446 178282044 /nfs/dbraw/zinc/28/20/44/178282044.db2.gz AJDDBYWICPGLDJ-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1ccc2cc(Cl)cc(Br)c2n1 ZINC000082788283 178293413 /nfs/dbraw/zinc/29/34/13/178293413.db2.gz MKVOEPYQBPNBHS-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1cc(Cl)nc2ccc(O)c(Br)c12 ZINC000082788525 178293680 /nfs/dbraw/zinc/29/36/80/178293680.db2.gz SHGMIPKAQPUAGG-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN CC(=O)Oc1c(C)n(Cc2ccccc2)c2ccccc21 ZINC000096675613 185109530 /nfs/dbraw/zinc/10/95/30/185109530.db2.gz XBCLATFRJWFJCF-UHFFFAOYSA-N 0 0 279.339 3.923 10 0 CHAERN Brc1cccc2sc(C3CC3)nc21 ZINC000096958939 185142682 /nfs/dbraw/zinc/14/26/82/185142682.db2.gz JIILPVBLJPODHL-UHFFFAOYSA-N 0 0 254.152 3.936 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)N2CCCC2)cc1 ZINC000096997555 185149857 /nfs/dbraw/zinc/14/98/57/185149857.db2.gz GXDQKGOFWVWSCU-CQSZACIVSA-N 0 0 274.408 3.752 10 0 CHAERN Cc1ccnc(Cl)c1NCc1cc(F)ccc1F ZINC000083511285 178538083 /nfs/dbraw/zinc/53/80/83/178538083.db2.gz PRZBQWYBMXTPLQ-UHFFFAOYSA-N 0 0 268.694 3.934 10 0 CHAERN Cc1ccc(-c2nccs2)cc1Br ZINC000085210343 178973488 /nfs/dbraw/zinc/97/34/88/178973488.db2.gz HJELXNDQCXHNFF-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Cc1c(-c2ccc(OC(F)(F)F)cc2)sc2ncnn12 ZINC000097758516 185662665 /nfs/dbraw/zinc/66/26/65/185662665.db2.gz OMWJXUHAHYAVQE-UHFFFAOYSA-N 0 0 299.277 3.665 10 0 CHAERN Nc1nc2ccccc2nc1-c1ccc(Cl)cc1 ZINC000085345571 179028346 /nfs/dbraw/zinc/02/83/46/179028346.db2.gz SWDMOLYFKLCECJ-UHFFFAOYSA-N 0 0 255.708 3.532 10 0 CHAERN CCOc1cc(C)c(CCC(=O)CC)cc1Cl ZINC000098129263 185690648 /nfs/dbraw/zinc/69/06/48/185690648.db2.gz SVXSWSWFUFFYLB-UHFFFAOYSA-N 0 0 254.757 3.959 10 0 CHAERN CC(C)(C)OC(=O)c1ccc(-c2ccccc2O)c(N)c1 ZINC000085476763 179079528 /nfs/dbraw/zinc/07/95/28/179079528.db2.gz BIZMTBULASVUNR-UHFFFAOYSA-N 0 0 285.343 3.597 10 0 CHAERN Cc1cccc(NC=C2C(=O)Nc3ccccc32)c1C ZINC000103775792 185858501 /nfs/dbraw/zinc/85/85/01/185858501.db2.gz GPTFPMUZYKPLRN-GXDHUFHOSA-N 0 0 264.328 3.709 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@H](C)C2CC2)c(Br)c1 ZINC000103919981 185861727 /nfs/dbraw/zinc/86/17/27/185861727.db2.gz IMGOBZDYEGYQMR-NXEZZACHSA-N 0 0 298.224 3.737 10 0 CHAERN C[C@@H](O)c1ccccc1N(C)[C@H](C)c1cccs1 ZINC000103923253 185862099 /nfs/dbraw/zinc/86/20/99/185862099.db2.gz HPZAVAZOKVVBJG-VXGBXAGGSA-N 0 0 261.390 3.999 10 0 CHAERN CNc1c2c(nc3c(F)ccc(Cl)c31)CCCC2 ZINC000104019064 185883158 /nfs/dbraw/zinc/88/31/58/185883158.db2.gz ARZLTGIEKOYAQL-UHFFFAOYSA-N 0 0 264.731 3.948 10 0 CHAERN O[C@H](c1nc(C2CCCC2)cs1)c1ccccc1 ZINC000104061396 185889191 /nfs/dbraw/zinc/88/91/91/185889191.db2.gz PXPKPNBCBSUJIW-AWEZNQCLSA-N 0 0 259.374 3.882 10 0 CHAERN O=C1Nc2ccccc2C1=CNc1ccc(F)c(Cl)c1 ZINC000104042884 185885484 /nfs/dbraw/zinc/88/54/84/185885484.db2.gz KSPWCQIZEKTEGS-DHZHZOJOSA-N 0 0 288.709 3.884 10 0 CHAERN CC(=O)[C@@H](c1nc([C@@H]2CCC[C@@H](C)C2)no1)C(C)C ZINC000104052736 185886536 /nfs/dbraw/zinc/88/65/36/185886536.db2.gz WKNKMSXHEYVDTQ-RTXFEEFZSA-N 0 0 264.369 3.692 10 0 CHAERN CCCCCNc1cc(OC(F)F)c(F)cc1N ZINC000104130313 185901955 /nfs/dbraw/zinc/90/19/55/185901955.db2.gz DGPOLYUUOIHBHU-UHFFFAOYSA-N 0 0 262.275 3.611 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2cc(Cl)ccc2F)n1 ZINC000104172748 185916278 /nfs/dbraw/zinc/91/62/78/185916278.db2.gz WZQZXJLNCHNDGF-UHFFFAOYSA-N 0 0 295.770 3.560 10 0 CHAERN C[C@@H](O)c1nc2c(s1)CC(C)(C)c1ccccc1-2 ZINC000104182438 185917830 /nfs/dbraw/zinc/91/78/30/185917830.db2.gz ZRRJXDXSKHFJSS-SECBINFHSA-N 0 0 259.374 3.697 10 0 CHAERN CN(C)c1nc(Cl)c(-c2ccccc2)c(Cl)n1 ZINC000088100097 179546810 /nfs/dbraw/zinc/54/68/10/179546810.db2.gz YPHGBYUOWHBNAH-UHFFFAOYSA-N 0 0 268.147 3.516 10 0 CHAERN Cc1ccc([C@H](O)[C@@H]2CCOc3ccccc32)s1 ZINC000104187449 185920888 /nfs/dbraw/zinc/92/08/88/185920888.db2.gz UHHIDOVQSFSPII-IUODEOHRSA-N 0 0 260.358 3.656 10 0 CHAERN CCCCN(c1nc(C)nc(Cl)c1C)C1CC1 ZINC000104210591 185931809 /nfs/dbraw/zinc/93/18/09/185931809.db2.gz CHBLQIPJCSMADA-UHFFFAOYSA-N 0 0 253.777 3.516 10 0 CHAERN Cc1cnc(Sc2ccc([C@@H](C)O)cc2Cl)nc1 ZINC000104299906 185959822 /nfs/dbraw/zinc/95/98/22/185959822.db2.gz DYJNWSHVZHEGJL-SECBINFHSA-N 0 0 280.780 3.643 10 0 CHAERN CC(C)(Sc1ccc(Cl)cc1)C(=O)c1cncnc1 ZINC000089224052 179757771 /nfs/dbraw/zinc/75/77/71/179757771.db2.gz BQKLHLPBJQICNB-UHFFFAOYSA-N 0 0 292.791 3.884 10 0 CHAERN Nc1nc(-c2cccs2)nc(C2CCCCCC2)n1 ZINC000104387352 185988938 /nfs/dbraw/zinc/98/89/38/185988938.db2.gz KNVBNJIWRCAZIQ-UHFFFAOYSA-N 0 0 274.393 3.620 10 0 CHAERN CC(=O)c1ccc(N(C)C[C@H]2C[C@@H]2C)c(Cl)c1 ZINC000104419162 185995266 /nfs/dbraw/zinc/99/52/66/185995266.db2.gz SPAVXILXJOWWMU-JOYOIKCWSA-N 0 0 251.757 3.635 10 0 CHAERN CN(C)c1nc(-c2ccccc2F)ncc1-c1ccoc1 ZINC000090502159 179993901 /nfs/dbraw/zinc/99/39/01/179993901.db2.gz XBCWLJNRLWKMRR-UHFFFAOYSA-N 0 0 283.306 3.609 10 0 CHAERN COc1ncc(-c2cccc(C)c2)c2c(O)cccc12 ZINC000090555774 180003366 /nfs/dbraw/zinc/00/33/66/180003366.db2.gz YOMHHXQRKPGQRT-UHFFFAOYSA-N 0 0 265.312 3.924 10 0 CHAERN C[C@H](NC(=O)c1cc(C(C)(C)C)no1)c1cccs1 ZINC000090624619 180015670 /nfs/dbraw/zinc/01/56/70/180015670.db2.gz JTOILRFJVLRGBN-VIFPVBQESA-N 0 0 278.377 3.525 10 0 CHAERN Cc1ccc2ncc(C=O)c(N(CC3CC3)CC3CC3)c2c1 ZINC000090669461 180020437 /nfs/dbraw/zinc/02/04/37/180020437.db2.gz YYMRVEXYLDWCGX-UHFFFAOYSA-N 0 0 294.398 3.982 10 0 CHAERN CCC(C)(C)c1ccc(I)cc1 ZINC000090715114 180029561 /nfs/dbraw/zinc/02/95/61/180029561.db2.gz MUOQEVVQYOEKOB-UHFFFAOYSA-N 0 0 274.145 3.979 10 0 CHAERN FC1(F)Oc2ccccc2O[C@H]1C1=CC=CCC1 ZINC000091252125 180114238 /nfs/dbraw/zinc/11/42/38/180114238.db2.gz WRYDVXMLHRMVFV-ZDUSSCGKSA-N 0 0 250.244 3.696 10 0 CHAERN Oc1ccc(/C=C\CC[C@@H](O)CCc2ccc(O)cc2)cc1 ZINC000108646251 186225155 /nfs/dbraw/zinc/22/51/55/186225155.db2.gz HLWUXTFOZZSNLD-YKUAXSNGSA-N 0 0 298.382 3.885 10 0 CHAERN Clc1cncc(Oc2cncc(Br)c2)c1 ZINC000123988125 187117763 /nfs/dbraw/zinc/11/77/63/187117763.db2.gz MXLJLSFHEDGQNS-UHFFFAOYSA-N 0 0 285.528 3.685 10 0 CHAERN CCOCc1ccccc1NC(=O)c1ccc(Cl)o1 ZINC000155107924 188183808 /nfs/dbraw/zinc/18/38/08/188183808.db2.gz ASKPVYKXNIRANK-UHFFFAOYSA-N 0 0 279.723 3.722 10 0 CHAERN CC(C)(C)OC(=O)N(c1nccc(Cl)n1)C(C)(C)C ZINC000230529731 189810813 /nfs/dbraw/zinc/81/08/13/189810813.db2.gz KBEDBTORMCDDGY-UHFFFAOYSA-N 0 0 285.775 3.670 10 0 CHAERN C[C@]12CC[C@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@H]1CCC2=O ZINC000253596807 189995029 /nfs/dbraw/zinc/99/50/29/189995029.db2.gz WELNRNVZXWUOGT-UJHHCITNSA-N 0 0 272.388 3.697 10 0 CHAERN FC(F)(F)c1cc2c(Cl)ncnc2cc1Cl ZINC000261508322 190040336 /nfs/dbraw/zinc/04/03/36/190040336.db2.gz RJLQMWUWRDWSQL-UHFFFAOYSA-N 0 0 267.037 3.955 10 0 CHAERN Cc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)O1 ZINC000000177988 169565479 /nfs/dbraw/zinc/56/54/79/169565479.db2.gz NNALAGBXOWXBMS-XNTDXEJSSA-N 0 0 297.741 3.993 10 0 CHAERN Cc1cccc(/C=C2/N=C(c3ccccc3C)OC2=O)c1 ZINC000000176728 169564749 /nfs/dbraw/zinc/56/47/49/169564749.db2.gz FEIPNZNEHSGSHJ-LFIBNONCSA-N 0 0 277.323 3.648 10 0 CHAERN COc1cc(C(=O)C2CCCC2)cc(Cl)c1OC ZINC000037895509 184544340 /nfs/dbraw/zinc/54/43/40/184544340.db2.gz KIJHWOKSQNELKZ-UHFFFAOYSA-N 0 0 268.740 3.730 10 0 CHAERN Clc1nccnc1Oc1ccccc1Br ZINC000043536637 256869646 /nfs/dbraw/zinc/86/96/46/256869646.db2.gz UBNHYVGQHNVERP-UHFFFAOYSA-N 0 0 285.528 3.685 10 0 CHAERN CCOC(=O)c1cc2sccc2n1Cc1ccccc1 ZINC000001361090 169696655 /nfs/dbraw/zinc/69/66/55/169696655.db2.gz GGZMKBBXTLBXLL-UHFFFAOYSA-N 0 0 285.368 3.928 10 0 CHAERN FC(F)(Br)c1ccc2ccccc2n1 ZINC000238546683 131079344 /nfs/dbraw/zinc/07/93/44/131079344.db2.gz FYXFZXQUHKHRAH-UHFFFAOYSA-N 0 0 258.065 3.679 10 0 CHAERN Cc1ccccc1CCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171431057 335065696 /nfs/dbraw/zinc/06/56/96/335065696.db2.gz KVVKOCFVXFRBLL-QGZVFWFLSA-N 0 0 295.382 3.568 10 0 CHAERN c1ccc2c(c1)CCCN2CCN1CCCc2ccccc21 ZINC000034745151 134779731 /nfs/dbraw/zinc/77/97/31/134779731.db2.gz WZTKMNFVWNWDEK-UHFFFAOYSA-N 0 0 292.426 3.892 10 0 CHAERN Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC000037390735 134842489 /nfs/dbraw/zinc/84/24/89/134842489.db2.gz KYOPVIOOKIBDFZ-UHFFFAOYSA-N 0 0 284.378 3.867 10 0 CHAERN C[C@H]1CCc2ccccc2N1c1cccc(F)c1N ZINC000037419090 134842966 /nfs/dbraw/zinc/84/29/66/134842966.db2.gz JVGYPRWPJOSAIA-NSHDSACASA-N 0 0 256.324 3.881 10 0 CHAERN Cc1ccc([C@H](O)CN2CCCc3ccccc32)cc1C ZINC000043501790 134905231 /nfs/dbraw/zinc/90/52/31/134905231.db2.gz PIYIVKNLRIGCSE-LJQANCHMSA-N 0 0 281.399 3.790 10 0 CHAERN O[C@@]1(c2ccccc2)CC[C@H]2[C@@H]1CC[C@@]2(O)c1ccccc1 ZINC000002535832 169804296 /nfs/dbraw/zinc/80/42/96/169804296.db2.gz BGPALYKOUQFTBY-VNTMZGSJSA-N 0 0 294.394 3.582 10 0 CHAERN Cl/C(=C\n1cncn1)c1ccc(Cl)cc1Cl ZINC000003785289 169912916 /nfs/dbraw/zinc/91/29/16/169912916.db2.gz XGLHZTBDUXXHOM-WMZJFQQLSA-N 0 0 274.538 3.779 10 0 investigational CHAERN CNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000004267158 169950772 /nfs/dbraw/zinc/95/07/72/169950772.db2.gz HJPJXRXTEZFKCI-UHFFFAOYSA-N 0 0 269.735 3.992 10 0 CHAERN Clc1cccc(Nc2nc3ccccc3n3cnnc23)c1 ZINC000004823495 170024026 /nfs/dbraw/zinc/02/40/26/170024026.db2.gz TVFNFVUBHFMCQX-UHFFFAOYSA-N 0 0 295.733 3.675 10 0 CHAERN CC(=O)c1c(=O)cc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000004876937 170034478 /nfs/dbraw/zinc/03/44/78/170034478.db2.gz FHSIZKVHAVWPDE-UHFFFAOYSA-N 0 0 289.334 3.912 10 0 CHAERN O=C1O/C(=C/c2ccc3ccccc3n2)c2ccccc21 ZINC000005162876 170072565 /nfs/dbraw/zinc/07/25/65/170072565.db2.gz CXPDELLOVTUCGG-GZTJUZNOSA-N 0 0 273.291 3.903 10 0 CHAERN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CNc1ccccc1 ZINC000005304992 170084548 /nfs/dbraw/zinc/08/45/48/170084548.db2.gz IUVRBZYMWBVVLM-JKIFEVAISA-N 0 0 257.377 3.740 10 0 CHAERN CC[C@@H](c1cn(C)c2ccccc12)n1nnc2ccccc21 ZINC000005327697 170085813 /nfs/dbraw/zinc/08/58/13/170085813.db2.gz SJFQYIKXVPYUQV-INIZCTEOSA-N 0 0 290.370 3.922 10 0 CHAERN COc1ccc(NCC[C@H](C)n2nnc3ccccc32)cc1 ZINC000005330305 170086217 /nfs/dbraw/zinc/08/62/17/170086217.db2.gz BWCBWAMVPLOSQY-ZDUSSCGKSA-N 0 0 296.374 3.503 10 0 CHAERN Cc1ccc(NCC[C@@H](C)n2nnc3ccccc32)cc1 ZINC000005330783 170086438 /nfs/dbraw/zinc/08/64/38/170086438.db2.gz CRUKYAWHXMFSGW-CQSZACIVSA-N 0 0 280.375 3.803 10 0 CHAERN O=[S@@](CCc1ccncc1)c1ccc2ccccc2c1 ZINC000005332365 170086665 /nfs/dbraw/zinc/08/66/65/170086665.db2.gz UOEWRBMGMHVNAO-HXUWFJFHSA-N 0 0 281.380 3.585 10 0 CHAERN CC1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005427480 170098002 /nfs/dbraw/zinc/09/80/02/170098002.db2.gz UJTMMNKEQRNTEO-AATRIKPKSA-N 0 0 263.768 3.612 10 0 CHAERN CCN(CC)C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000005470440 170102490 /nfs/dbraw/zinc/10/24/90/170102490.db2.gz ZLRHBEVMWDGRGM-CMDGGOBGSA-N 0 0 272.175 3.875 10 0 CHAERN CC(=O)c1cccc2cccc(I)c21 ZINC000005481287 170103398 /nfs/dbraw/zinc/10/33/98/170103398.db2.gz XUYGOQFXOUHBPS-UHFFFAOYSA-N 0 0 296.107 3.647 10 0 CHAERN Cc1c[nH]c2nc(-c3cccc(Cl)c3)cc(=O)c-2c1 ZINC000005503957 170105560 /nfs/dbraw/zinc/10/55/60/170105560.db2.gz FSWIIQLXZOJBSF-UHFFFAOYSA-N 0 0 270.719 3.552 10 0 in-vivo CHAERN c1ccc([C@@H]2SCc3nc4ccccc4n32)cc1 ZINC000005593658 170117341 /nfs/dbraw/zinc/11/73/41/170117341.db2.gz FNMNLCSQXMVRNM-HNNXBMFYSA-N 0 0 252.342 3.830 10 0 CHAERN Cc1ccc(OCc2ccc(C(N)=S)cc2)c(C)c1 ZINC000005592549 170117472 /nfs/dbraw/zinc/11/74/72/170117472.db2.gz DIBNBHLNIURFDR-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN Clc1nccc(Sc2nc3ccccc3s2)n1 ZINC000005778143 170139577 /nfs/dbraw/zinc/13/95/77/170139577.db2.gz DFVQBAGNGFWMOC-UHFFFAOYSA-N 0 0 279.777 3.891 10 0 CHAERN C[C@@]1(Sc2ccccc2)CN(Cc2ccccc2)C1=O ZINC000005808211 170141960 /nfs/dbraw/zinc/14/19/60/170141960.db2.gz XFAAWULNWAXRSA-QGZVFWFLSA-N 0 0 283.396 3.580 10 0 CHAERN CCCCCCONC(=O)Nc1ccccc1Cl ZINC000005951162 170161134 /nfs/dbraw/zinc/16/11/34/170161134.db2.gz SRNRZJMKLDUDLV-UHFFFAOYSA-N 0 0 270.760 3.973 10 0 CHAERN CC(=O)c1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000006297174 170189045 /nfs/dbraw/zinc/18/90/45/170189045.db2.gz OZAHEJALVCMNGX-UHFFFAOYSA-N 0 0 289.722 3.582 10 0 CHAERN CCCCN(CC)C(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000006310352 170190307 /nfs/dbraw/zinc/19/03/07/170190307.db2.gz CDKYXLCUSBXVES-UHFFFAOYSA-N 0 0 290.407 3.543 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000006470922 170203856 /nfs/dbraw/zinc/20/38/56/170203856.db2.gz PQNQEHZYCFSXQO-BUYIWHAFSA-N 0 0 265.356 3.967 10 0 CHAERN Cc1ccc2[nH]c(SC[C@@H](O)c3ccccc3)nc2c1 ZINC000006746147 170239520 /nfs/dbraw/zinc/23/95/20/170239520.db2.gz KFIPFGOOSMYQIR-OAHLLOKOSA-N 0 0 284.384 3.697 10 0 CHAERN Cc1ccccc1CSc1nc2cccnc2[nH]1 ZINC000006877694 170251705 /nfs/dbraw/zinc/25/17/05/170251705.db2.gz XQPSRBKZGWAFPJ-UHFFFAOYSA-N 0 0 255.346 3.559 10 0 CHAERN CCOC(=O)C[C@@H](C)Sc1ccc(Cl)cc1 ZINC000006941106 170257561 /nfs/dbraw/zinc/25/75/61/170257561.db2.gz MVXFXZNIKMFDBP-SECBINFHSA-N 0 0 258.770 3.774 10 0 CHAERN CC(C)[C@@H](NC(=O)c1ccccc1)c1cccs1 ZINC000007078119 170266721 /nfs/dbraw/zinc/26/67/21/170266721.db2.gz KYZYIJUCPRLXDU-CQSZACIVSA-N 0 0 259.374 3.875 10 0 CHAERN c1ccc(CNC2c3ccccc3-c3ccccc32)nc1 ZINC000007224774 170272936 /nfs/dbraw/zinc/27/29/36/170272936.db2.gz NSRNJNJZJDWJRC-UHFFFAOYSA-N 0 0 272.351 3.941 10 0 CHAERN Cc1ccc(C(=O)CSCC(=O)Nc2ccccc2)cc1 ZINC000008014945 170313507 /nfs/dbraw/zinc/31/35/07/170313507.db2.gz VZKYSPVTMYAZJE-UHFFFAOYSA-N 0 0 299.395 3.550 10 0 CHAERN Cc1ccccc1/C=C/C(=O)NCc1ccccc1Cl ZINC000008034495 170315137 /nfs/dbraw/zinc/31/51/37/170315137.db2.gz LBZVPWYCKRJXJO-ZHACJKMWSA-N 0 0 285.774 3.978 10 0 CHAERN COc1ccc(CC(=O)Nc2cc(C)ccc2C)c(OC)c1 ZINC000008273074 170328292 /nfs/dbraw/zinc/32/82/92/170328292.db2.gz IZCDCKDYZROQHL-UHFFFAOYSA-N 0 0 299.370 3.502 10 0 CHAERN CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000008276611 170328504 /nfs/dbraw/zinc/32/85/04/170328504.db2.gz FADUECMVWFKFJO-VWCPWKCOSA-N 0 0 287.403 3.793 10 0 CHAERN Cc1ccnc(NC(=O)c2cc(C)nc3ccc(F)cc32)c1 ZINC000008416568 170335534 /nfs/dbraw/zinc/33/55/34/170335534.db2.gz CQIHCUZTYBFODY-UHFFFAOYSA-N 0 0 295.317 3.638 10 0 CHAERN COc1ccc(C)cc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000008549772 170339693 /nfs/dbraw/zinc/33/96/93/170339693.db2.gz KNEYASSUUDFDMY-UHFFFAOYSA-N 0 0 298.386 3.948 10 0 CHAERN Cc1ccc(OCCOc2ccc(C=O)cc2)c(C)c1 ZINC000008728417 170350277 /nfs/dbraw/zinc/35/02/77/170350277.db2.gz XIVYVEGGFIBNNN-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN CC[C@H](C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009207495 170366465 /nfs/dbraw/zinc/36/64/65/170366465.db2.gz JLHZVQFHPCXSSH-LBPRGKRZSA-N 0 0 295.338 3.665 10 0 CHAERN Cc1ccc(CSc2nc3ncccc3o2)cc1 ZINC000009688062 170384356 /nfs/dbraw/zinc/38/43/56/170384356.db2.gz CBDGMLPLXGYCIV-UHFFFAOYSA-N 0 0 256.330 3.824 10 0 CHAERN C[C@H]1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996513 170393476 /nfs/dbraw/zinc/39/34/76/170393476.db2.gz KRSKMPBJXGEHTH-JTQLQIEISA-N 0 0 286.202 3.908 10 0 CHAERN Cc1ccc([C@@H](CO)Cc2ccccc2Cl)cc1 ZINC000011734576 170436657 /nfs/dbraw/zinc/43/66/57/170436657.db2.gz NCDZDMYSNDFCRN-OAHLLOKOSA-N 0 0 260.764 3.967 10 0 CHAERN OC[C@@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000011734402 170436731 /nfs/dbraw/zinc/43/67/31/170436731.db2.gz PLFRWZFMQLEDEB-CYBMUJFWSA-N 0 0 264.727 3.798 10 0 CHAERN O=C1c2ccccc2-c2ccc(-c3cccnc3)cc21 ZINC000013602151 170568007 /nfs/dbraw/zinc/56/80/07/170568007.db2.gz FYTLKPWUFHOAHB-UHFFFAOYSA-N 0 0 257.292 3.960 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(SC(C)C)nn2)cc1 ZINC000013701603 170580199 /nfs/dbraw/zinc/58/01/99/170580199.db2.gz CXBGFCVDGNPISO-UHFFFAOYSA-N 0 0 287.388 3.538 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000017054975 170724380 /nfs/dbraw/zinc/72/43/80/170724380.db2.gz UJGJGQFBUCTSTG-LLVKDONJSA-N 0 0 295.473 3.940 10 0 CHAERN Nc1cc(C(=O)NC2CCCCCCC2)ccc1Cl ZINC000019262869 170762999 /nfs/dbraw/zinc/76/29/99/170762999.db2.gz BTBODFQWYIGCBO-UHFFFAOYSA-N 0 0 280.799 3.765 10 0 CHAERN CSc1cccc(NC(=O)c2c(C)cccc2N)c1 ZINC000019270859 170766946 /nfs/dbraw/zinc/76/69/46/170766946.db2.gz VYYXGCVNWZQGDH-UHFFFAOYSA-N 0 0 272.373 3.551 10 0 CHAERN Nc1cc(NC(=O)CCCc2cccs2)ccc1Cl ZINC000019280214 170771298 /nfs/dbraw/zinc/77/12/98/170771298.db2.gz MBTMTDPSPBYIHE-UHFFFAOYSA-N 0 0 294.807 3.945 10 0 CHAERN Nc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000019401215 170785191 /nfs/dbraw/zinc/78/51/91/170785191.db2.gz YHHTZUZAJWNTRN-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN C[C@H]1C[C@H](C)CN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000019402159 170785460 /nfs/dbraw/zinc/78/54/60/170785460.db2.gz YDEMDZQCYYXZRP-IUCAKERBSA-N 0 0 287.190 3.507 10 0 CHAERN Nc1cc(NC(=O)Cc2ccccc2Cl)ccc1Cl ZINC000019407450 170787583 /nfs/dbraw/zinc/78/75/83/170787583.db2.gz HISYCFHMGSESQZ-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2)c(C)c1 ZINC000019507977 170819114 /nfs/dbraw/zinc/81/91/14/170819114.db2.gz APBOZQYGXGGETR-QGZVFWFLSA-N 0 0 280.371 3.669 10 0 CHAERN CC[C@@H](C)Nc1ccc(I)cc1 ZINC000019772273 170857606 /nfs/dbraw/zinc/85/76/06/170857606.db2.gz QAKBIYDXSPLKRU-MRVPVSSYSA-N 0 0 275.133 3.502 10 0 CHAERN NC(=S)c1ccc(OCc2ccc(Cl)s2)cc1 ZINC000019805395 170874329 /nfs/dbraw/zinc/87/43/29/170874329.db2.gz VFSQJUFMGRKMDD-UHFFFAOYSA-N 0 0 283.805 3.615 10 0 CHAERN CSc1cccc(Nc2ccc(C(N)=S)cc2)c1 ZINC000019866657 170899648 /nfs/dbraw/zinc/89/96/48/170899648.db2.gz IBMZKMVSLVIYSG-UHFFFAOYSA-N 0 0 274.414 3.786 10 0 CHAERN CC[C@H](C)S[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000019869755 170900762 /nfs/dbraw/zinc/90/07/62/170900762.db2.gz DGXKJIVYQZIMCC-DTWKUNHWSA-N 0 0 286.828 3.781 10 0 CHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccc2c1CCCC2 ZINC000019906216 170918368 /nfs/dbraw/zinc/91/83/68/170918368.db2.gz XVFRWSDTZMVXNK-KRWDZBQOSA-N 0 0 281.355 3.817 10 0 CHAERN COc1cc([C@H](C)Nc2ccc(F)c(F)c2F)ccc1O ZINC000019907681 170919592 /nfs/dbraw/zinc/91/95/92/170919592.db2.gz KVOCIMXICRHYFI-QMMMGPOBSA-N 0 0 297.276 3.991 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccc(C(N)=O)cc1 ZINC000019911233 170921912 /nfs/dbraw/zinc/92/19/12/170921912.db2.gz TTYMSIXYABFFPM-RCBQFDQVSA-N 0 0 274.408 3.658 10 0 CHAERN Cc1cc(C)c([C@H](C)Nc2ccc(C(N)=O)cc2)c(C)c1 ZINC000019911559 170922090 /nfs/dbraw/zinc/92/20/90/170922090.db2.gz AUMMNDIZXFIHNZ-AWEZNQCLSA-N 0 0 282.387 3.884 10 0 CHAERN COc1cc([C@H](C)Nc2ccccc2F)ccc1O ZINC000019944579 170936128 /nfs/dbraw/zinc/93/61/28/170936128.db2.gz MEHLBRYYQFKLBO-JTQLQIEISA-N 0 0 261.296 3.713 10 0 CHAERN CCOc1ccc(OCC)c(NCCCSC)c1 ZINC000020088011 170988684 /nfs/dbraw/zinc/98/86/84/170988684.db2.gz NOYUYHVEVSWVPW-UHFFFAOYSA-N 0 0 269.410 3.649 10 0 CHAERN CC[C@@H](Nc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000020124695 171007137 /nfs/dbraw/zinc/00/71/37/171007137.db2.gz XONYGZGKMWZLEK-QGZVFWFLSA-N 0 0 282.387 3.918 10 0 CHAERN CCC[C@@H](Nc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000020124736 171007248 /nfs/dbraw/zinc/00/72/48/171007248.db2.gz DORSMMCISYLALC-QGZVFWFLSA-N 0 0 282.387 4.000 10 0 CHAERN C[C@@H](Nc1cccc(C(N)=O)c1)c1nc2ccccc2s1 ZINC000020124978 171007602 /nfs/dbraw/zinc/00/76/02/171007602.db2.gz IAAMZSFOEMEXOX-SNVBAGLBSA-N 0 0 297.383 3.568 10 0 CHAERN Cc1nc2cc(N[C@@H](C)c3ccncc3)ccc2o1 ZINC000020144027 171029622 /nfs/dbraw/zinc/02/96/22/171029622.db2.gz KSDDJOCPGACNPW-JTQLQIEISA-N 0 0 253.305 3.704 10 0 CHAERN CCc1cc2c(nc(C)n(Cc3ccccc3C)c2=O)s1 ZINC000020158438 171039914 /nfs/dbraw/zinc/03/99/14/171039914.db2.gz ITTDVCLIQYGBPX-UHFFFAOYSA-N 0 0 298.411 3.686 10 0 CHAERN c1nnc(-c2ccc(NC[C@@H]3CC=CCC3)cc2)o1 ZINC000020187055 171051716 /nfs/dbraw/zinc/05/17/16/171051716.db2.gz WCTMVNQYBRYBHR-GFCCVEGCSA-N 0 0 255.321 3.505 10 0 CHAERN CCN(Cc1ccc(N)c(C)c1)c1cccc(C)c1 ZINC000020192712 171058944 /nfs/dbraw/zinc/05/89/44/171058944.db2.gz PLTBVTVQTXTGPF-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN O=C(Nc1cccc(Cl)c1Cl)c1ccc(O)cc1 ZINC000020247159 171100569 /nfs/dbraw/zinc/10/05/69/171100569.db2.gz APZBIZQJTSQLSY-UHFFFAOYSA-N 0 0 282.126 3.951 10 0 CHAERN COc1ccc(OC)c2c(C)cc(-c3c(C)noc3C)nc12 ZINC000020293926 171134651 /nfs/dbraw/zinc/13/46/51/171134651.db2.gz KBPCFFQBONBTSB-UHFFFAOYSA-N 0 0 298.342 3.832 10 0 CHAERN C[C@@H](Nc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000020300781 171138785 /nfs/dbraw/zinc/13/87/85/171138785.db2.gz BGWTVQABFCIGLI-LLVKDONJSA-N 0 0 274.751 3.779 10 0 CHAERN Cc1ccc(Cl)cc1N[C@H](C)C(=O)NC1CCCC1 ZINC000020301420 171138846 /nfs/dbraw/zinc/13/88/46/171138846.db2.gz HNNHMVVFDBOADY-LLVKDONJSA-N 0 0 280.799 3.508 10 0 CHAERN C[C@H](Nc1cccc2ccccc21)C(=O)NC1CCCC1 ZINC000020300863 171138867 /nfs/dbraw/zinc/13/88/67/171138867.db2.gz FLPJXKPVCNWMPL-ZDUSSCGKSA-N 0 0 282.387 3.699 10 0 CHAERN CCOC(=O)Cc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000020311636 171144562 /nfs/dbraw/zinc/14/45/62/171144562.db2.gz GUSXZWVFFAAKDS-UHFFFAOYSA-N 0 0 295.791 3.878 10 0 CHAERN CCc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1N ZINC000020345508 171154587 /nfs/dbraw/zinc/15/45/87/171154587.db2.gz XHGGETBBIPPEGZ-UHFFFAOYSA-N 0 0 294.276 3.501 10 0 CHAERN Cn1cccc1CNc1ccccc1SC(F)F ZINC000020360601 171159599 /nfs/dbraw/zinc/15/95/99/171159599.db2.gz LZEWPYXEDRZFJE-UHFFFAOYSA-N 0 0 268.332 3.952 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020366442 171165253 /nfs/dbraw/zinc/16/52/53/171165253.db2.gz MLVORVOHFDWCTK-ZDUSSCGKSA-N 0 0 270.376 3.557 10 0 CHAERN COC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000020391289 171179366 /nfs/dbraw/zinc/17/93/66/171179366.db2.gz RKMDSRYFSWGQGB-UHFFFAOYSA-N 0 0 262.692 3.919 10 0 CHAERN Nc1ccc2nc(-c3cc4ccccc4o3)oc2c1 ZINC000020423950 171190840 /nfs/dbraw/zinc/19/08/40/171190840.db2.gz CXCKKFRHTQXYLK-UHFFFAOYSA-N 0 0 250.257 3.823 10 0 CHAERN NC(=S)c1ccc(Nc2ccc(F)c(Cl)c2)cc1 ZINC000020430018 171195349 /nfs/dbraw/zinc/19/53/49/171195349.db2.gz MYSWSFDHRHWSEI-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN C[C@@H](Oc1cccc(Cl)c1CO)c1ccccc1 ZINC000020435168 171200704 /nfs/dbraw/zinc/20/07/04/171200704.db2.gz AACUHUZYUUNLMH-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN CCCN(CCC)c1nc2ccccc2cc1C=O ZINC000020444510 171205548 /nfs/dbraw/zinc/20/55/48/171205548.db2.gz CSZFIDIFLPBMLQ-UHFFFAOYSA-N 0 0 256.349 3.674 10 0 CHAERN CC(C)[C@@H](C)Nc1ccc(I)cc1 ZINC000020477621 171220830 /nfs/dbraw/zinc/22/08/30/171220830.db2.gz PDSGTSZJXCESOX-SECBINFHSA-N 0 0 289.160 3.748 10 0 CHAERN OCc1cc(Br)ccc1OC1CCCCC1 ZINC000020483090 171222799 /nfs/dbraw/zinc/22/27/99/171222799.db2.gz SOXICIOZVYOQCX-UHFFFAOYSA-N 0 0 285.181 3.653 10 0 CHAERN CC(C)CSc1ccc(Br)cc1N ZINC000020484043 171223739 /nfs/dbraw/zinc/22/37/39/171223739.db2.gz WUPXEEUVYYOGLB-UHFFFAOYSA-N 0 0 260.200 3.779 10 0 CHAERN CCCCN(CCCC)c1ccc(CO)cc1F ZINC000020485954 171225548 /nfs/dbraw/zinc/22/55/48/171225548.db2.gz UMKZIELKKGYCSP-UHFFFAOYSA-N 0 0 253.361 3.725 10 0 CHAERN CCNC(=O)[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505297 171228315 /nfs/dbraw/zinc/22/83/15/171228315.db2.gz GIOHDTKUGQRPCF-ZCFIWIBFSA-N 0 0 295.597 3.583 10 0 CHAERN C[C@@H]1CCC[C@@H](Oc2ccc(Br)cc2N)C1 ZINC000020507262 171228969 /nfs/dbraw/zinc/22/89/69/171228969.db2.gz IEDHNUJHLZSXEF-MWLCHTKSSA-N 0 0 284.197 3.989 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OCc1cc(C(N)=S)ccc1F ZINC000020551925 171247250 /nfs/dbraw/zinc/24/72/50/171247250.db2.gz UJZQKRDWWZYPDX-NHYWBVRUSA-N 0 0 295.423 3.945 10 0 CHAERN Cc1cccc(CNc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000020554020 171249083 /nfs/dbraw/zinc/24/90/83/171249083.db2.gz QCQPEMPFAWCJQP-UHFFFAOYSA-N 0 0 277.270 3.929 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cncc(Cl)n1 ZINC000020555657 171249901 /nfs/dbraw/zinc/24/99/01/171249901.db2.gz NLISVPPENUJPTC-UTUOFQBUSA-N 0 0 268.788 3.970 10 0 CHAERN S=C1N=NC(C2CC2)N1c1cc(Cl)cc(Cl)c1 ZINC000020588829 171260211 /nfs/dbraw/zinc/26/02/11/171260211.db2.gz FLULLMUZLDVJGP-UHFFFAOYSA-N 0 0 286.187 3.740 10 0 CHAERN Cc1ccc(C2(c3noc([C@@H]4CCOC4)n3)CCCC2)cc1 ZINC000020877830 171277896 /nfs/dbraw/zinc/27/78/96/171277896.db2.gz SMTYAEGRPNXEEQ-CQSZACIVSA-N 0 0 298.386 3.742 10 0 CHAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccccn1 ZINC000021001609 171284593 /nfs/dbraw/zinc/28/45/93/171284593.db2.gz UAJIQUDGKULIDC-UHFFFAOYSA-N 0 0 297.141 3.649 10 0 CHAERN COc1ccc(NC(=O)COc2cc(C)c(C)cc2C)cc1 ZINC000021022487 171290655 /nfs/dbraw/zinc/29/06/55/171290655.db2.gz CTFFCFYOVPNYFM-UHFFFAOYSA-N 0 0 299.370 3.638 10 0 CHAERN Cc1cc(C(=O)Nc2cccc(F)c2)c(C)c(F)c1F ZINC000021266733 171300413 /nfs/dbraw/zinc/30/04/13/171300413.db2.gz DNJCTFCZINWSAY-UHFFFAOYSA-N 0 0 279.261 3.973 10 0 CHAERN NC(=S)c1ccnc(Nc2ccc(Cl)cc2Cl)c1 ZINC000021787438 171322981 /nfs/dbraw/zinc/32/29/81/171322981.db2.gz KRQIRBDQCBMUPU-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2N1 ZINC000021800490 171325889 /nfs/dbraw/zinc/32/58/89/171325889.db2.gz ZEGKZKBCWYWSLX-ORIJERBGSA-N 0 0 286.419 3.764 10 0 CHAERN Cc1cc(N)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000021960799 171342793 /nfs/dbraw/zinc/34/27/93/171342793.db2.gz XFJUXXHICTYZEF-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Brc1ccc(C2=CCC3(CC2)OCCO3)cc1 ZINC000021989445 171346027 /nfs/dbraw/zinc/34/60/27/171346027.db2.gz OWDXWFQOWJGTRP-UHFFFAOYSA-N 0 0 295.176 3.760 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1F ZINC000022143958 171355939 /nfs/dbraw/zinc/35/59/39/171355939.db2.gz WLTKOSRZNDUOCB-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)Nc1ccccc1F ZINC000022145484 171356278 /nfs/dbraw/zinc/35/62/78/171356278.db2.gz HBDYPSIKWXVHQZ-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN CC(C)c1ccc(Nc2ccc(C(N)=S)cn2)cc1 ZINC000022148655 171357729 /nfs/dbraw/zinc/35/77/29/171357729.db2.gz UFYQXHLYYHQHRY-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN Cc1cc(C)c(Cc2cnc(N)s2)c(Cl)c1 ZINC000022151187 171358592 /nfs/dbraw/zinc/35/85/92/171358592.db2.gz NMWNYIFURPUNOO-UHFFFAOYSA-N 0 0 252.770 3.586 10 0 CHAERN Cc1ccc(Sc2nc3sccn3c2C=O)c(C)c1 ZINC000022158175 171363533 /nfs/dbraw/zinc/36/35/33/171363533.db2.gz HWSKBBWKUWZHQI-UHFFFAOYSA-N 0 0 288.397 3.976 10 0 CHAERN Oc1cc2c(cc1SCCc1ccccc1)OCC2 ZINC000025972332 171468686 /nfs/dbraw/zinc/46/86/86/171468686.db2.gz ZTBUZZQVYRWZGR-UHFFFAOYSA-N 0 0 272.369 3.662 10 0 CHAERN c1csc(-c2nnsc2-c2cccs2)c1 ZINC000027518026 171518371 /nfs/dbraw/zinc/51/83/71/171518371.db2.gz UYJVOBUKQQNVCM-UHFFFAOYSA-N 0 0 250.373 3.995 10 0 CHAERN COc1ccc(NC(=O)Oc2ccc3cccnc3c2)cc1 ZINC000027729949 171530884 /nfs/dbraw/zinc/53/08/84/171530884.db2.gz REMCERORLWQBTJ-UHFFFAOYSA-N 0 0 294.310 3.854 10 0 CHAERN c1ccc(Oc2ccc(OC[C@H]3CS3)cc2)cc1 ZINC000029335055 171594734 /nfs/dbraw/zinc/59/47/34/171594734.db2.gz PGBZUPFQJPYTHS-HNNXBMFYSA-N 0 0 258.342 3.973 10 0 CHAERN C[C@H](NC(=O)c1cccnc1)c1ccc2ccccc2c1 ZINC000031403617 171637831 /nfs/dbraw/zinc/63/78/31/171637831.db2.gz FUTXPSZELCYUCF-ZDUSSCGKSA-N 0 0 276.339 3.726 10 0 CHAERN Cc1ccc(/C=C\C(=O)NC(=S)Nc2ccccc2)cc1 ZINC000033329189 171784716 /nfs/dbraw/zinc/78/47/16/171784716.db2.gz UVYYWZXPQLQMRK-QXMHVHEDSA-N 0 0 296.395 3.521 10 0 CHAERN CNc1nccn2c(-c3cccc(C(C)C)c3)cnc12 ZINC000034584840 171845151 /nfs/dbraw/zinc/84/51/51/171845151.db2.gz CZLMUBOUIKRVTG-UHFFFAOYSA-N 0 0 266.348 3.561 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1ncnc(Cl)c1C ZINC000034766741 171866175 /nfs/dbraw/zinc/86/61/75/171866175.db2.gz GKPPGFIVQSWWPQ-NSHDSACASA-N 0 0 261.756 3.920 10 0 CHAERN Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1C=O ZINC000034926155 171894817 /nfs/dbraw/zinc/89/48/17/171894817.db2.gz SYPUFMXDKMLPJM-UHFFFAOYSA-N 0 0 283.158 3.668 10 0 CHAERN COc1ccc(C(C)=O)cc1COc1cccc(F)c1 ZINC000034979136 171911536 /nfs/dbraw/zinc/91/15/36/171911536.db2.gz QVQSHIFIGUZFRX-UHFFFAOYSA-N 0 0 274.291 3.616 10 0 CHAERN Cc1nc(CN[C@@H](C)c2cc(C)ccc2C)cs1 ZINC000035010683 171927974 /nfs/dbraw/zinc/92/79/74/171927974.db2.gz HLDWYRFXNLIJLE-LBPRGKRZSA-N 0 0 260.406 3.919 10 0 CHAERN Clc1cccc(NC[C@H]2CCCCO2)c1Cl ZINC000035150799 172013454 /nfs/dbraw/zinc/01/34/54/172013454.db2.gz YQFDVCHMYHSPKY-SECBINFHSA-N 0 0 260.164 3.974 10 0 CHAERN Cc1cc(NC[C@@H]2CCCCO2)ccc1Br ZINC000035150794 172013832 /nfs/dbraw/zinc/01/38/32/172013832.db2.gz UDKCOCUPQKPIFC-LBPRGKRZSA-N 0 0 284.197 3.739 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035161469 172021622 /nfs/dbraw/zinc/02/16/22/172021622.db2.gz DWEDHUYSNLIPPL-UONOGXRCSA-N 0 0 282.387 3.820 10 0 CHAERN COc1cccc(OCC(=O)c2cc3ccccc3o2)c1 ZINC000035182838 172036215 /nfs/dbraw/zinc/03/62/15/172036215.db2.gz UHSXHSLNWZNQBF-UHFFFAOYSA-N 0 0 282.295 3.703 10 0 CHAERN Cc1cc(C)cc(O[C@@H](C)C(=O)c2ccccc2)c1 ZINC000035182366 172036233 /nfs/dbraw/zinc/03/62/33/172036233.db2.gz FFYBSQZCPFMUIG-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN CSc1ccc(C(=O)COc2ccc(F)cc2)cc1 ZINC000035183825 172037351 /nfs/dbraw/zinc/03/73/51/172037351.db2.gz TUOSPUSAURRLHE-UHFFFAOYSA-N 0 0 276.332 3.809 10 0 CHAERN COc1cc(C)ccc1O[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000035184727 172038310 /nfs/dbraw/zinc/03/83/10/172038310.db2.gz SZPRXBNQQQPTNN-LBPRGKRZSA-N 0 0 288.318 3.793 10 0 CHAERN CCCOc1ccc(C=O)c(OCCC(C)C)c1 ZINC000035186667 172041570 /nfs/dbraw/zinc/04/15/70/172041570.db2.gz AFFUVSIXYHDETC-UHFFFAOYSA-N 0 0 250.338 3.713 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1C ZINC000035188947 172044225 /nfs/dbraw/zinc/04/42/25/172044225.db2.gz WTHDSXQABSYMAQ-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN CC(=O)c1cc(C)ccc1OCCc1ccccc1 ZINC000035205785 172049229 /nfs/dbraw/zinc/04/92/29/172049229.db2.gz FZBKFAVXMIIPHF-UHFFFAOYSA-N 0 0 254.329 3.819 10 0 CHAERN CCN(C(=O)c1ccc2[nH]cnc2c1)c1ccccc1C ZINC000035207806 172052791 /nfs/dbraw/zinc/05/27/91/172052791.db2.gz IOZIUMZODSYAJM-UHFFFAOYSA-N 0 0 279.343 3.538 10 0 CHAERN C[C@@H]1CCCCN1c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222032 172065337 /nfs/dbraw/zinc/06/53/37/172065337.db2.gz NWFAQZQKUUBUAE-LLVKDONJSA-N 0 0 280.441 3.825 10 0 CHAERN CCCCN(C)c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222076 172065805 /nfs/dbraw/zinc/06/58/05/172065805.db2.gz AAJCFJBPLDFTCI-UHFFFAOYSA-N 0 0 268.430 3.682 10 0 CHAERN CC(C)CS[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229276 172070522 /nfs/dbraw/zinc/07/05/22/172070522.db2.gz YZUMLXPDBLGQSD-VIFPVBQESA-N 0 0 258.333 3.925 10 0 CHAERN Cc1cc(C)c(C)c([C@@H]([NH3+])CCCCC(=O)[O-])c1C ZINC000035324184 172126063 /nfs/dbraw/zinc/12/60/63/172126063.db2.gz YABVMFAXEZJTMK-AWEZNQCLSA-N 0 0 263.381 3.565 10 0 CHAERN CC(C)Cc1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324305 172126595 /nfs/dbraw/zinc/12/65/95/172126595.db2.gz CPHJYMSHRQAJQT-HNNXBMFYSA-N 0 0 263.381 3.530 10 0 CHAERN Nc1ccc2nc(Oc3ccc(F)cc3)ccc2c1 ZINC000035343796 172136091 /nfs/dbraw/zinc/13/60/91/172136091.db2.gz XNWSWXGGXIXMCJ-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN CCCCCCOc1ccc2scnc2c1N ZINC000035344954 172137318 /nfs/dbraw/zinc/13/73/18/172137318.db2.gz VCQRYVRKTYTXEN-UHFFFAOYSA-N 0 0 250.367 3.838 10 0 CHAERN CCc1cccc2c(C(=O)c3ccoc3C)c[nH]c21 ZINC000035369160 172161057 /nfs/dbraw/zinc/16/10/57/172161057.db2.gz LJOXXZOHBGSTMJ-UHFFFAOYSA-N 0 0 253.301 3.863 10 0 CHAERN O=C(/C=C\c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000035374150 172161348 /nfs/dbraw/zinc/16/13/48/172161348.db2.gz VWPJXAIQMNQTRN-UTCJRWHESA-N 0 0 299.389 3.924 10 0 CHAERN Cc1ccc([C@@H](N)c2cc(Cl)ccc2Cl)o1 ZINC000035382407 172165029 /nfs/dbraw/zinc/16/50/29/172165029.db2.gz WFGZGWDSNZUDKY-LBPRGKRZSA-N 0 0 256.132 3.943 10 0 CHAERN Cc1cc(Oc2nc3sccn3c2C=O)ccc1Cl ZINC000035428493 172196908 /nfs/dbraw/zinc/19/69/08/172196908.db2.gz DPPMMOTZCZTXOO-UHFFFAOYSA-N 0 0 292.747 3.962 10 0 CHAERN O=Cc1cccn1-c1ccccc1SC(F)F ZINC000035431311 172199903 /nfs/dbraw/zinc/19/99/03/172199903.db2.gz XBFWNHJFIOOCBP-UHFFFAOYSA-N 0 0 253.273 3.605 10 0 CHAERN Clc1ccc(/C=C/c2nnc3ccccn23)cc1 ZINC000035551924 172259226 /nfs/dbraw/zinc/25/92/26/172259226.db2.gz DITLLAJXILDRGV-RMKNXTFCSA-N 0 0 255.708 3.553 10 0 CHAERN CCCN[C@@H](c1ccc(OC)c(Cl)c1)C(F)(F)F ZINC000035573878 172270714 /nfs/dbraw/zinc/27/07/14/172270714.db2.gz BUXWMXQRVKCPDW-NSHDSACASA-N 0 0 281.705 3.952 10 0 CHAERN CCCN[C@H](c1ccoc1)c1c(F)cc(F)cc1F ZINC000035580762 172276467 /nfs/dbraw/zinc/27/64/67/172276467.db2.gz PHNPRBSHVHSWPP-CQSZACIVSA-N 0 0 269.266 3.786 10 0 CHAERN C[C@H](O)c1ccc(N2c3ccccc3C[C@@H]2C)cc1 ZINC000035631254 172313159 /nfs/dbraw/zinc/31/31/59/172313159.db2.gz IOCOJOGGWVOEOI-STQMWFEESA-N 0 0 253.345 3.823 10 0 CHAERN CN(Cc1ccsc1)c1cccc(Cl)c1C=O ZINC000035719420 172373759 /nfs/dbraw/zinc/37/37/59/172373759.db2.gz BBXNHUHQUMOWLS-UHFFFAOYSA-N 0 0 265.765 3.850 10 0 CHAERN C[C@@H](Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCO1 ZINC000035736372 172389348 /nfs/dbraw/zinc/38/93/48/172389348.db2.gz BMMWWJOBJMOULA-KCJUWKMLSA-N 0 0 282.796 3.929 10 0 CHAERN COC(=O)C[C@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000035747598 172396031 /nfs/dbraw/zinc/39/60/31/172396031.db2.gz YQULAGMFNUUOJD-ZETCQYMHSA-N 0 0 295.688 3.722 10 0 CHAERN COC(=O)C[C@@H](C)Nc1cc(C(F)(F)F)ccc1Cl ZINC000035747600 172396098 /nfs/dbraw/zinc/39/60/98/172396098.db2.gz YQULAGMFNUUOJD-SSDOTTSWSA-N 0 0 295.688 3.722 10 0 CHAERN Cc1ccc(C(=O)N(C)CCc2c[nH]c3ccccc23)cc1 ZINC000035964192 172426748 /nfs/dbraw/zinc/42/67/48/172426748.db2.gz YLANNPQIVOTMIW-UHFFFAOYSA-N 0 0 292.382 3.791 10 0 CHAERN Cc1nn(C(=O)c2ccccc2Cl)c2cccc(F)c12 ZINC000036047513 172430388 /nfs/dbraw/zinc/43/03/88/172430388.db2.gz HSHUEVYDBPQXQX-UHFFFAOYSA-N 0 0 288.709 3.826 10 0 CHAERN Cc1cc(N)cn2cc(-c3ccc(C)c(C)c3)nc12 ZINC000036241607 172538821 /nfs/dbraw/zinc/53/88/21/172538821.db2.gz WOZFITMSSWLXQC-UHFFFAOYSA-N 0 0 251.333 3.509 10 0 CHAERN Nc1ccc(F)cc1Oc1ccc(C(F)(F)F)cn1 ZINC000036667236 172647084 /nfs/dbraw/zinc/64/70/84/172647084.db2.gz IFNNAJPLOQOLJK-UHFFFAOYSA-N 0 0 272.201 3.614 10 0 CHAERN CCc1ccccc1Oc1ccccc1C(N)=S ZINC000036669430 172647394 /nfs/dbraw/zinc/64/73/94/172647394.db2.gz JYNJZIGGSNCVFP-UHFFFAOYSA-N 0 0 257.358 3.676 10 0 CHAERN C[C@H]1C[C@H]1c1noc(N)c1-c1cccc(Br)c1 ZINC000036765996 172684639 /nfs/dbraw/zinc/68/46/39/172684639.db2.gz NYZOPIYSXUEXHP-OIBJUYFYSA-N 0 0 293.164 3.810 10 0 CHAERN COC(=O)c1ccc(F)cc1NCc1sccc1C ZINC000037119327 172969122 /nfs/dbraw/zinc/96/91/22/172969122.db2.gz IJCHJOFWPLSQQM-UHFFFAOYSA-N 0 0 279.336 3.594 10 0 CHAERN COc1ccc(F)cc1CSc1ccc(N)cc1 ZINC000037182233 173014536 /nfs/dbraw/zinc/01/45/36/173014536.db2.gz GMUSUXOUOYJEML-UHFFFAOYSA-N 0 0 263.337 3.709 10 0 CHAERN Nc1ccc(SCc2cccc(C(F)(F)F)c2)nc1 ZINC000037191689 173021482 /nfs/dbraw/zinc/02/14/82/173021482.db2.gz HMNDYMBENLLRDT-UHFFFAOYSA-N 0 0 284.306 3.975 10 0 CHAERN Cc1cc(N)ccc1SCc1nnc(C(C)(C)C)o1 ZINC000037193351 173023361 /nfs/dbraw/zinc/02/33/61/173023361.db2.gz FTXZLXJAUXVRAD-UHFFFAOYSA-N 0 0 277.393 3.550 10 0 CHAERN Nc1cc(F)ccc1SCc1ccccc1F ZINC000037195243 173023858 /nfs/dbraw/zinc/02/38/58/173023858.db2.gz UKQWYPCQBXCIGE-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Fc1ccc(F)c(N[C@H]2CCc3ccccc3C2)c1 ZINC000037198424 173024772 /nfs/dbraw/zinc/02/47/72/173024772.db2.gz XSFJRRFAQCEHGE-AWEZNQCLSA-N 0 0 259.299 3.934 10 0 CHAERN Nc1ccc(SC[C@@H]2COC3(CCCC3)O2)c(Cl)c1 ZINC000037204527 173026763 /nfs/dbraw/zinc/02/67/63/173026763.db2.gz IPIJRWDHKWZGOR-NSHDSACASA-N 0 0 299.823 3.700 10 0 CHAERN CCc1ccc(C(=O)c2ccc(OC)c(C)c2)cc1 ZINC000037289053 173093693 /nfs/dbraw/zinc/09/36/93/173093693.db2.gz BTLBJCJZLLBALM-UHFFFAOYSA-N 0 0 254.329 3.797 10 0 CHAERN CC(C)c1nn(C)cc1CNc1ccc(Cl)cc1F ZINC000037297385 173101205 /nfs/dbraw/zinc/10/12/05/173101205.db2.gz GGNCQYFYZCUPAY-UHFFFAOYSA-N 0 0 281.762 3.948 10 0 CHAERN COc1ncccc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037301343 173107519 /nfs/dbraw/zinc/10/75/19/173107519.db2.gz LKQVIFIXRQRINP-BFHYXJOUSA-N 0 0 260.381 3.861 10 0 CHAERN CCCC[C@@H](C)Nc1cccc(Cl)c1-n1cncn1 ZINC000037304558 173109982 /nfs/dbraw/zinc/10/99/82/173109982.db2.gz RQCRWFXNCUVTEP-LLVKDONJSA-N 0 0 278.787 3.911 10 0 CHAERN CCOC(=O)c1ccccc1N[C@H]1CCCC[C@H]1C ZINC000037308448 173110865 /nfs/dbraw/zinc/11/08/65/173110865.db2.gz CCKJIPZPCBXUAC-OCCSQVGLSA-N 0 0 261.365 3.854 10 0 CHAERN CCOC(=O)c1ccccc1N[C@H]1CCCC[C@@H]1C ZINC000037308446 173111176 /nfs/dbraw/zinc/11/11/76/173111176.db2.gz CCKJIPZPCBXUAC-JSGCOSHPSA-N 0 0 261.365 3.854 10 0 CHAERN CCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C(N)=S ZINC000037334379 173135051 /nfs/dbraw/zinc/13/50/51/173135051.db2.gz GLIHFOVOWZHPJW-MRVPVSSYSA-N 0 0 290.354 3.940 10 0 CHAERN Clc1ncnc2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000037337882 173138559 /nfs/dbraw/zinc/13/85/59/173138559.db2.gz LBDUGZBSPYTKRB-UHFFFAOYSA-N 0 0 290.731 3.740 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCC(=O)c1ccc(F)cc1F ZINC000037343599 173142942 /nfs/dbraw/zinc/14/29/42/173142942.db2.gz VKYBKULRUKYTAT-BMIGLBTASA-N 0 0 268.303 3.743 10 0 CHAERN Cc1ccc(OCC(=O)c2ccccc2C)c(C)c1 ZINC000037347227 173143894 /nfs/dbraw/zinc/14/38/94/173143894.db2.gz YZOKNHJDQFDBMG-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CC[C@H](Oc1cccc(F)c1)C(=O)c1ccccc1 ZINC000037347645 173143971 /nfs/dbraw/zinc/14/39/71/173143971.db2.gz CBXKEPWLCOPOFY-HNNXBMFYSA-N 0 0 258.292 3.866 10 0 CHAERN Nc1cc(CC2CCCCC2)nn1-c1ccccc1 ZINC000037352277 173145461 /nfs/dbraw/zinc/14/54/61/173145461.db2.gz DYFFNNQRNWILFY-UHFFFAOYSA-N 0 0 255.365 3.577 10 0 CHAERN COc1ccccc1C(=O)c1c(C)cc(C)cc1C ZINC000037354328 173147078 /nfs/dbraw/zinc/14/70/78/173147078.db2.gz JDGRBKSFZGRBQS-UHFFFAOYSA-N 0 0 254.329 3.851 10 0 CHAERN Cc1cccc(OCc2c(N)cccc2Br)c1 ZINC000037402110 173178944 /nfs/dbraw/zinc/17/89/44/173178944.db2.gz QYMLDBCVFRVEDU-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN CCCc1cc(Cl)nc(-c2cc(OC)ccc2OC)n1 ZINC000037409207 173185993 /nfs/dbraw/zinc/18/59/93/173185993.db2.gz YEUCHVLGGAHPEW-UHFFFAOYSA-N 0 0 292.766 3.767 10 0 CHAERN C[C@H](c1ccncc1)n1c2cccc(F)c2[nH]c1=S ZINC000037422815 173198677 /nfs/dbraw/zinc/19/86/77/173198677.db2.gz XVOVOQDGLLIRFY-SECBINFHSA-N 0 0 273.336 3.842 10 0 CHAERN CCOC(=O)[C@@H](NC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000037446354 173213342 /nfs/dbraw/zinc/21/33/42/173213342.db2.gz JZDVZHROOUWLTC-LBPRGKRZSA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@@H](NC(C)C)c1cc(Cl)cc(Cl)c1 ZINC000037446277 173213512 /nfs/dbraw/zinc/21/35/12/173213512.db2.gz GYNAUUHRYQYCEP-LBPRGKRZSA-N 0 0 290.190 3.596 10 0 CHAERN Cc1cc(Cl)nc(-c2cc(Cl)c3c(c2)OCCO3)n1 ZINC000037504391 173240087 /nfs/dbraw/zinc/24/00/87/173240087.db2.gz JGPVEMBQPNRYHF-UHFFFAOYSA-N 0 0 297.141 3.530 10 0 CHAERN COc1ccccc1[C@](C)(O)c1cccc(Cl)c1 ZINC000037529223 173252333 /nfs/dbraw/zinc/25/23/33/173252333.db2.gz WCDDOYAGXQIVQI-OAHLLOKOSA-N 0 0 262.736 3.604 10 0 CHAERN C[C@@H]1CC(C)(C)C[C@@](O)(Cc2ccccc2F)C1 ZINC000037529919 173252903 /nfs/dbraw/zinc/25/29/03/173252903.db2.gz VJIHMLHHBOPYOA-WBMJQRKESA-N 0 0 250.357 3.946 10 0 CHAERN C[C@@](O)(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000037529253 173252913 /nfs/dbraw/zinc/25/29/13/173252913.db2.gz IQLFMMWUAXGLGI-AWEZNQCLSA-N 0 0 295.151 3.844 10 0 CHAERN C[C@@](O)(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037529229 173252960 /nfs/dbraw/zinc/25/29/60/173252960.db2.gz CDFDEJOIMUHMPD-AWEZNQCLSA-N 0 0 250.700 3.735 10 0 CHAERN COc1ccccc1[C@H](O)Cc1ccccc1Cl ZINC000037532081 173253547 /nfs/dbraw/zinc/25/35/47/173253547.db2.gz FGHBIBROSHFDBH-CQSZACIVSA-N 0 0 262.736 3.625 10 0 CHAERN Cn1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000037560724 173271223 /nfs/dbraw/zinc/27/12/23/173271223.db2.gz VRKYSDUUGGSHAO-CQSZACIVSA-N 0 0 261.756 3.637 10 0 CHAERN Nc1ccc2cc(-c3ccc(Cl)cc3)cnc2n1 ZINC000037593680 173543208 /nfs/dbraw/zinc/54/32/08/173543208.db2.gz JORVLPAGGYWCCZ-UHFFFAOYSA-N 0 0 255.708 3.532 10 0 CHAERN NC(=S)c1ccc(NCCC2CCCCC2)cc1 ZINC000037742155 173663603 /nfs/dbraw/zinc/66/36/03/173663603.db2.gz RJMUHWYRTZJYCI-UHFFFAOYSA-N 0 0 262.422 3.703 10 0 CHAERN Cc1ccc2oc(-c3ccc4c(c3)CCN4)nc2c1 ZINC000037746474 173668706 /nfs/dbraw/zinc/66/87/06/173668706.db2.gz ABZQMKOEJZZREM-UHFFFAOYSA-N 0 0 250.301 3.771 10 0 CHAERN Clc1ccc(NCc2ccncc2)c2ncccc12 ZINC000037767324 173696797 /nfs/dbraw/zinc/69/67/97/173696797.db2.gz VZQPEGLKRAQBAJ-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN COc1ccc(COc2ccc(F)cc2Cl)cc1N ZINC000037902143 173833513 /nfs/dbraw/zinc/83/35/13/173833513.db2.gz PIFICTZZTAMVBU-UHFFFAOYSA-N 0 0 281.714 3.649 10 0 CHAERN CC[C@@H](N[C@H](C)c1cc[nH]n1)c1cccc(Cl)c1 ZINC000037907216 173839187 /nfs/dbraw/zinc/83/91/87/173839187.db2.gz XGOIDHLPKDKEBQ-ZWNOBZJWSA-N 0 0 263.772 3.865 10 0 CHAERN CCCCCC[C@@H](Nc1ccc(F)cc1)C(=O)OC ZINC000037956113 173897525 /nfs/dbraw/zinc/89/75/25/173897525.db2.gz LUHNELVKIMPUTF-CQSZACIVSA-N 0 0 267.344 3.750 10 0 CHAERN COC(=O)C1(Nc2cccc(Cl)c2)CCC(C)CC1 ZINC000037955579 173897573 /nfs/dbraw/zinc/89/75/73/173897573.db2.gz LBXVWFZIZIVVRD-UHFFFAOYSA-N 0 0 281.783 3.874 10 0 CHAERN COC(=O)[C@]1(Nc2ccc(Cl)cc2)CCCC[C@@H]1C ZINC000037962461 173905711 /nfs/dbraw/zinc/90/57/11/173905711.db2.gz WQFMTCSPWRSVAK-NHYWBVRUSA-N 0 0 281.783 3.874 10 0 CHAERN CCCC(CCC)(Nc1ccccc1F)C(=O)OC ZINC000037962998 173906320 /nfs/dbraw/zinc/90/63/20/173906320.db2.gz HLFAUEOQLCIXSB-UHFFFAOYSA-N 0 0 267.344 3.750 10 0 CHAERN CCOC(=O)[C@H](NCC1CC1)c1ccc(C(C)(C)C)cc1 ZINC000037968202 173915228 /nfs/dbraw/zinc/91/52/28/173915228.db2.gz JSOOSAWVUCRUPA-MRXNPFEDSA-N 0 0 289.419 3.588 10 0 CHAERN c1ccc2sc(CNc3ccc4c(c3)OCO4)nc2c1 ZINC000037977620 173933517 /nfs/dbraw/zinc/93/35/17/173933517.db2.gz BFIQSDIXHPJLOM-UHFFFAOYSA-N 0 0 284.340 3.637 10 0 CHAERN Nc1cc(F)c(Nc2cccc3ncccc32)c(F)c1 ZINC000038039969 174039592 /nfs/dbraw/zinc/03/95/92/174039592.db2.gz AGYUYGNJTDZGJO-UHFFFAOYSA-N 0 0 271.270 3.839 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1c(F)cc(N)cc1F ZINC000038040303 174040133 /nfs/dbraw/zinc/04/01/33/174040133.db2.gz WJHPEHZDGPQEKX-RNCFNFMXSA-N 0 0 255.308 3.895 10 0 CHAERN CC(=O)Nc1ccc(Sc2c(F)cc(N)cc2F)cc1 ZINC000038040419 174040140 /nfs/dbraw/zinc/04/01/40/174040140.db2.gz ZTTZLFCNGPMUGB-UHFFFAOYSA-N 0 0 294.326 3.657 10 0 CHAERN Cc1cc(F)ccc1Nc1c(F)cc(N)cc1F ZINC000038040015 174040211 /nfs/dbraw/zinc/04/02/11/174040211.db2.gz CKPDSTYTCCLJPJ-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN Nc1cc(F)c(Nc2cccc(Cl)c2)c(F)c1 ZINC000038039997 174040318 /nfs/dbraw/zinc/04/03/18/174040318.db2.gz HRGGSBDJBCBBLN-UHFFFAOYSA-N 0 0 254.667 3.944 10 0 CHAERN COCCc1ccc(Oc2c(F)cc(N)cc2F)cc1 ZINC000038040373 174040498 /nfs/dbraw/zinc/04/04/98/174040498.db2.gz LEAISZZEKBYGGV-UHFFFAOYSA-N 0 0 279.286 3.528 10 0 CHAERN CCn1c(CNc2c(F)cccc2F)nc2ccccc21 ZINC000038046720 174056291 /nfs/dbraw/zinc/05/62/91/174056291.db2.gz KAPPZDNFIFFZTG-UHFFFAOYSA-N 0 0 287.313 3.947 10 0 CHAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000038066004 174077708 /nfs/dbraw/zinc/07/77/08/174077708.db2.gz DRSDOEMXIOLIRK-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN C[C@H]1Cc2cc(-c3cc(C=O)ccc3F)ccc2O1 ZINC000038071940 174082482 /nfs/dbraw/zinc/08/24/82/174082482.db2.gz KMWHJXCPALBBIC-JTQLQIEISA-N 0 0 256.276 3.629 10 0 CHAERN COc1cc(F)c(-c2cc(C=O)ccc2F)c(F)c1 ZINC000038071673 174082609 /nfs/dbraw/zinc/08/26/09/174082609.db2.gz PTGFOHPEJTVWOC-UHFFFAOYSA-N 0 0 266.218 3.592 10 0 CHAERN Cc1cc(C)cc(COc2cccc(C(N)=S)c2)c1 ZINC000038076820 174087548 /nfs/dbraw/zinc/08/75/48/174087548.db2.gz FOBNXKMEAKVAFR-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN O=C(Cc1cccs1)c1ccc(Br)o1 ZINC000038126036 174131096 /nfs/dbraw/zinc/13/10/96/174131096.db2.gz YQZIUXWBJXXURL-UHFFFAOYSA-N 0 0 271.135 3.529 10 0 CHAERN COc1cc(/C=C/c2cccc(OC)c2O)cc(OC)c1 ZINC000038156620 174134237 /nfs/dbraw/zinc/13/42/37/174134237.db2.gz VWIJWYTVLATTPJ-BQYQJAHWSA-N 0 0 286.327 3.588 10 0 CHAERN Oc1ccccc1-c1nc(/C=C\c2ccccc2)no1 ZINC000038184153 174136073 /nfs/dbraw/zinc/13/60/73/174136073.db2.gz NIDAQOVXERMPRS-KHPPLWFESA-N 0 0 264.284 3.613 10 0 CHAERN C[C@H](ON1C(C)(C)CC(O)CC1(C)C)c1ccccc1 ZINC000038242057 174137334 /nfs/dbraw/zinc/13/73/34/174137334.db2.gz APUFHRLDCFVHFO-ZDUSSCGKSA-N 0 0 277.408 3.693 10 0 CHAERN CC1(C)CC(SCc2c(F)cccc2F)=NO1 ZINC000038875228 174157875 /nfs/dbraw/zinc/15/78/75/174157875.db2.gz LNPQBZAHOUCTSB-UHFFFAOYSA-N 0 0 257.305 3.710 10 0 CHAERN Brc1ccc2c(c1)[C@@H](O[C@H]1CCCCO1)CC2 ZINC000038957845 174160794 /nfs/dbraw/zinc/16/07/94/174160794.db2.gz DDNRTCUQYBRVNY-KBPBESRZSA-N 0 0 297.192 3.980 10 0 CHAERN Cc1nc(NC(=O)OC(C)(C)C)sc1Br ZINC000039123746 174163654 /nfs/dbraw/zinc/16/36/54/174163654.db2.gz NTMZSJJTWSSRRG-UHFFFAOYSA-N 0 0 293.186 3.561 10 0 CHAERN Cc1cccc(Nc2nc(Cl)nc(Cl)n2)c1C ZINC000039643922 174171600 /nfs/dbraw/zinc/17/16/00/174171600.db2.gz KXQVQPSJOYRHJB-UHFFFAOYSA-N 0 0 269.135 3.539 10 0 CHAERN CCCCCc1ccc(C(=O)OC)cc1Br ZINC000039951910 174176126 /nfs/dbraw/zinc/17/61/26/174176126.db2.gz TXGIQXAKTJIJKS-UHFFFAOYSA-N 0 0 285.181 3.968 10 0 CHAERN Cc1ccc(-c2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000040175829 174201577 /nfs/dbraw/zinc/20/15/77/174201577.db2.gz OZVXINZNMACXJJ-UHFFFAOYSA-N 0 0 253.280 3.586 10 0 CHAERN Cc1cccc(OCCn2cnc3ccccc32)c1C ZINC000040223911 174207414 /nfs/dbraw/zinc/20/74/14/174207414.db2.gz NUJQHTLYRXSVCY-UHFFFAOYSA-N 0 0 266.344 3.732 10 0 CHAERN CCc1ccc([C@@H](O)c2ccc(F)cc2F)s1 ZINC000040242691 174213255 /nfs/dbraw/zinc/21/32/55/174213255.db2.gz XTJAWZDPLYVLNY-ZDUSSCGKSA-N 0 0 254.301 3.670 10 0 CHAERN O[C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000040243302 174214337 /nfs/dbraw/zinc/21/43/37/174214337.db2.gz KLGQFQQODFUYHK-ZDUSSCGKSA-N 0 0 281.124 3.670 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2cc(C)ccc2C)c(N)c1 ZINC000040354408 174245490 /nfs/dbraw/zinc/24/54/90/174245490.db2.gz VYHRPEODRBRKEX-AWEZNQCLSA-N 0 0 283.371 3.844 10 0 CHAERN Cc1ccc(C)c(Nc2ncnc(NC(C)(C)C)c2N)c1 ZINC000040680404 174374592 /nfs/dbraw/zinc/37/45/92/174374592.db2.gz RKHAQPOJMLNCFF-UHFFFAOYSA-N 0 0 285.395 3.630 10 0 CHAERN CC(C)Nc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040682991 174375357 /nfs/dbraw/zinc/37/53/57/174375357.db2.gz ITLATRUQKSOFCK-UHFFFAOYSA-N 0 0 294.358 3.825 10 0 CHAERN CCCNc1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701487 174379111 /nfs/dbraw/zinc/37/91/11/174379111.db2.gz WUBHZNBNYBGEGQ-UHFFFAOYSA-N 0 0 291.786 3.586 10 0 CHAERN CN(c1ccccc1)c1ncnc(Oc2ccccc2)c1N ZINC000040757844 174396377 /nfs/dbraw/zinc/39/63/77/174396377.db2.gz LURRRONXTJESHA-UHFFFAOYSA-N 0 0 292.342 3.619 10 0 CHAERN COc1cccc(C[C@H](O)c2ccccc2Cl)c1 ZINC000040907558 174431499 /nfs/dbraw/zinc/43/14/99/174431499.db2.gz OVXQMCJIZWCKHD-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN COc1ccc(N(C)c2nc(C)nc3ccccc32)c(F)c1 ZINC000040913613 174432883 /nfs/dbraw/zinc/43/28/83/174432883.db2.gz QROOVQPEUDNKIB-UHFFFAOYSA-N 0 0 297.333 3.854 10 0 CHAERN Cc1c(-c2ccccc2)nc2sc(C3CC3)nn12 ZINC000040963950 174440507 /nfs/dbraw/zinc/44/05/07/174440507.db2.gz ZVVXNCOMQOEUJP-UHFFFAOYSA-N 0 0 255.346 3.644 10 0 CHAERN O=C(Nc1ccnc2cc(Cl)ccc21)c1cccnc1 ZINC000041057780 174465508 /nfs/dbraw/zinc/46/55/08/174465508.db2.gz DSPZHPRQDSHVHC-UHFFFAOYSA-N 0 0 283.718 3.536 10 0 CHAERN Cc1ccccc1C[C@H](CO)Cc1cccc(F)c1 ZINC000041342418 174526328 /nfs/dbraw/zinc/52/63/28/174526328.db2.gz PFIGHAXLLBEZDW-OAHLLOKOSA-N 0 0 258.336 3.528 10 0 CHAERN CCc1ccc(C[C@H](CO)Cc2ccc(C)cc2)cc1 ZINC000041388239 174543140 /nfs/dbraw/zinc/54/31/40/174543140.db2.gz KSTZMLUUSLLEIL-LJQANCHMSA-N 0 0 268.400 3.951 10 0 CHAERN COc1ccccc1-c1csc(Br)n1 ZINC000041391081 174545029 /nfs/dbraw/zinc/54/50/29/174545029.db2.gz BJVYKVFAZRNUQT-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN CC[C@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc(Cl)c1 ZINC000041658773 174594752 /nfs/dbraw/zinc/59/47/52/174594752.db2.gz UJEAKNOUKBQBQD-OAHLLOKOSA-N 0 0 281.783 3.562 10 0 CHAERN CC(C)CN(c1ccc([C@@H](C)O)cc1F)C1CC1 ZINC000042558096 174794280 /nfs/dbraw/zinc/79/42/80/174794280.db2.gz BFSCCMRIPBTBNH-LLVKDONJSA-N 0 0 251.345 3.504 10 0 CHAERN O[C@H]1CCCCC[C@H]1Nc1ccc(Cl)c(F)c1 ZINC000042579833 174803942 /nfs/dbraw/zinc/80/39/42/174803942.db2.gz NTUZLFUFECBLGJ-OLZOCXBDSA-N 0 0 257.736 3.585 10 0 CHAERN CCCN(CC(F)(F)F)c1ccc([C@@H](C)O)cc1F ZINC000042772973 174872033 /nfs/dbraw/zinc/87/20/33/174872033.db2.gz HAVCKALQRKZMLD-SECBINFHSA-N 0 0 279.277 3.658 10 0 CHAERN CCOC(=O)c1cnc2c(C)c(F)ccc2c1Cl ZINC000043321373 175006012 /nfs/dbraw/zinc/00/60/12/175006012.db2.gz WSCNNFGWXUPWJY-UHFFFAOYSA-N 0 0 267.687 3.512 10 0 CHAERN Oc1ccc(CNc2cc(F)cc(F)c2)cc1Cl ZINC000043476931 175054575 /nfs/dbraw/zinc/05/45/75/175054575.db2.gz RNKQQYIMQNOQRY-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN O[C@@H]1CCCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000043659035 175085720 /nfs/dbraw/zinc/08/57/20/175085720.db2.gz RREZNDBJUJTUDL-QMTHXVAHSA-N 0 0 256.748 3.963 10 0 CHAERN Cc1nn([C@@H](C)c2cc3ccccc3o2)c(N)c1Cl ZINC000043667743 175086698 /nfs/dbraw/zinc/08/66/98/175086698.db2.gz RIOYHYCHOGKQEH-VIFPVBQESA-N 0 0 275.739 3.783 10 0 CHAERN CCCC(=O)CCc1cc(Br)cs1 ZINC000043687978 175094828 /nfs/dbraw/zinc/09/48/28/175094828.db2.gz PMDNNPIPGBSPCM-UHFFFAOYSA-N 0 0 261.184 3.812 10 0 CHAERN Oc1ccccc1OCc1cc(Br)cs1 ZINC000043687961 175094835 /nfs/dbraw/zinc/09/48/35/175094835.db2.gz BWUPGDVFJNGXMZ-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN COc1ccccc1-c1cccc(Br)n1 ZINC000044120223 175142665 /nfs/dbraw/zinc/14/26/65/175142665.db2.gz ZIHYLGTWNRGVOZ-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN CCN(C[C@@H](O)c1ccc(C)cc1C)c1ccccc1 ZINC000044122087 175143386 /nfs/dbraw/zinc/14/33/86/175143386.db2.gz GTMMCSKSVHXKIH-GOSISDBHSA-N 0 0 269.388 3.863 10 0 CHAERN CC(C)C[C@H](C)N(C)C(=O)c1ccc(Br)o1 ZINC000044316311 175162414 /nfs/dbraw/zinc/16/24/14/175162414.db2.gz PKRIKCABXIBFSQ-VIFPVBQESA-N 0 0 288.185 3.549 10 0 CHAERN COc1cc2c(cc1Cl)CCN(C)[C@H]2c1ccccc1 ZINC000045286523 175354216 /nfs/dbraw/zinc/35/42/16/175354216.db2.gz VPOGKOASTNUXEU-KRWDZBQOSA-N 0 0 287.790 3.926 10 0 CHAERN COc1ccccc1-c1ncsc1Br ZINC000057564765 175599338 /nfs/dbraw/zinc/59/93/38/175599338.db2.gz ROYTUZPHRVLIAV-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN COc1ccc(Cl)cc1-c1ccc(C=O)c(O)c1 ZINC000065342025 175711995 /nfs/dbraw/zinc/71/19/95/175711995.db2.gz OMVYGGZSECOCMY-UHFFFAOYSA-N 0 0 262.692 3.534 10 0 CHAERN COC(=O)c1ccc(Cl)c(-c2ccc(O)c(OC)c2)c1 ZINC000065342900 175712336 /nfs/dbraw/zinc/71/23/36/175712336.db2.gz SJRYXTYQWYSNOJ-UHFFFAOYSA-N 0 0 292.718 3.508 10 0 CHAERN Nc1cc(Cl)ccc1COc1cc(F)ccc1F ZINC000071167058 176049384 /nfs/dbraw/zinc/04/93/84/176049384.db2.gz BMGHIODCVJBXPU-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Cc1c(Cl)nnc(N(Cc2cccs2)C2CC2)c1C ZINC000071171540 176051894 /nfs/dbraw/zinc/05/18/94/176051894.db2.gz AFEYQASFZDNMMR-UHFFFAOYSA-N 0 0 293.823 3.977 10 0 CHAERN Cc1c(Cl)nnc(N[C@H](C)CCc2ccco2)c1C ZINC000071186868 176060065 /nfs/dbraw/zinc/06/00/65/176060065.db2.gz CJKJYPYCPQATGD-SECBINFHSA-N 0 0 279.771 3.773 10 0 CHAERN Cc1nc2cc(N[C@@H]3CCC[C@H]3C)c(N)cc2s1 ZINC000071206908 176080391 /nfs/dbraw/zinc/08/03/91/176080391.db2.gz FAAZSSZRMZZTSJ-LDYMZIIASA-N 0 0 261.394 3.787 10 0 CHAERN Clc1nc2ccnn2c(Cl)c1C1CCCC1 ZINC000071476507 176187247 /nfs/dbraw/zinc/18/72/47/176187247.db2.gz CDTOYGNSOIQWHD-UHFFFAOYSA-N 0 0 256.136 3.694 10 0 CHAERN CCOc1ccc2[nH]c(C)c(Br)c2c1 ZINC000071494948 176191709 /nfs/dbraw/zinc/19/17/09/176191709.db2.gz SFIALMKSINTOPF-UHFFFAOYSA-N 0 0 254.127 3.638 10 0 CHAERN O=C1CCC(c2ccccc2Br)CC1 ZINC000071574526 176201667 /nfs/dbraw/zinc/20/16/67/176201667.db2.gz JFLUIAGIWSBGQU-UHFFFAOYSA-N 0 0 253.139 3.676 10 0 CHAERN Cc1cc(F)ccc1-c1cncc(Br)c1 ZINC000072192729 176336601 /nfs/dbraw/zinc/33/66/01/176336601.db2.gz JYXAFZLJGGSOBU-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN Cc1ccc(CNc2nc(N(C)C)nc3ccccc32)cc1 ZINC000072260655 176351845 /nfs/dbraw/zinc/35/18/45/176351845.db2.gz LMIPJMMOMQAVNM-UHFFFAOYSA-N 0 0 292.386 3.616 10 0 CHAERN O[C@@H]1CCCc2[nH]nc(-c3cccc4ccccc43)c21 ZINC000072415177 176399517 /nfs/dbraw/zinc/39/95/17/176399517.db2.gz KCCNCKLWOGNCQS-OAHLLOKOSA-N 0 0 264.328 3.600 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Nc2cn3ccccc3n2)cc1 ZINC000075302260 176684901 /nfs/dbraw/zinc/68/49/01/176684901.db2.gz SOIJCBSQJHUKAG-UHFFFAOYSA-N 0 0 293.370 3.884 10 0 CHAERN CNc1cccc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000075907392 176821754 /nfs/dbraw/zinc/82/17/54/176821754.db2.gz STHZRJSTYMENDG-AWEZNQCLSA-N 0 0 290.407 3.843 10 0 CHAERN Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000076855486 177122326 /nfs/dbraw/zinc/12/23/26/177122326.db2.gz WAPGIGZYSMMKCR-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Cc1cc(Oc2ccc3c(c2)CCCC3)ncc1N ZINC000077608643 177284721 /nfs/dbraw/zinc/28/47/21/177284721.db2.gz PCUFPFJIHXDOPR-UHFFFAOYSA-N 0 0 254.333 3.643 10 0 CHAERN Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(Cl)cc1F ZINC000335003945 225392194 /nfs/dbraw/zinc/39/21/94/225392194.db2.gz HMCYILSBZZTHEH-ZANVPECISA-N 0 0 282.746 3.804 10 0 CHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2nccc(C)n2)o1 ZINC000301426445 227535298 /nfs/dbraw/zinc/53/52/98/227535298.db2.gz GWEJLZIMHMGCCA-SMDDNHRTSA-N 0 0 271.364 3.664 10 0 CHAERN c1cn2c(nnc2C2CC2)c(NC2CCCCCCC2)n1 ZINC000302213667 227823617 /nfs/dbraw/zinc/82/36/17/227823617.db2.gz NPLNGRAFNJUBFU-UHFFFAOYSA-N 0 0 285.395 3.527 10 0 CHAERN Cc1cnn(CCNc2cc3ccccc3c(Cl)n2)c1 ZINC000108949170 227953625 /nfs/dbraw/zinc/95/36/25/227953625.db2.gz MTYFNNUCACCNCA-UHFFFAOYSA-N 0 0 286.766 3.505 10 0 CHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000330227098 228072958 /nfs/dbraw/zinc/07/29/58/228072958.db2.gz BVYNHYQRCPHITO-DOMZBBRYSA-N 0 0 297.358 3.748 10 0 CHAERN C[C@H]1CCC[C@H]1c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000333720165 228211382 /nfs/dbraw/zinc/21/13/82/228211382.db2.gz NUCCCOOQOUZMOT-CMPLNLGQSA-N 0 0 296.330 3.690 10 0 CHAERN Cc1ocnc1-c1noc([C@]2(C)CC[C@H](C)C2(C)C)n1 ZINC000333736299 228211614 /nfs/dbraw/zinc/21/16/14/228211614.db2.gz WZJAFFOXXDRNMN-VFZGTOFNSA-N 0 0 275.352 3.747 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3C2)CC(C)(C)C1 ZINC000180093000 260092512 /nfs/dbraw/zinc/09/25/12/260092512.db2.gz AIXGQRRPJREEIG-XJKSGUPXSA-N 0 0 271.404 3.991 10 0 CHAERN CCOc1ccc(NC(=O)c2cccc(N)c2)cc1Cl ZINC000037765783 260115899 /nfs/dbraw/zinc/11/58/99/260115899.db2.gz FTDZSEUQHPIYSZ-UHFFFAOYSA-N 0 0 290.750 3.573 10 0 CHAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1cccnc1 ZINC000037779496 260116797 /nfs/dbraw/zinc/11/67/97/260116797.db2.gz WXWUJVLDSKLDGU-LBPRGKRZSA-N 0 0 265.316 3.910 10 0 CHAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccncc1 ZINC000037779494 260116830 /nfs/dbraw/zinc/11/68/30/260116830.db2.gz VEKHHCBWQRYOAK-LBPRGKRZSA-N 0 0 265.316 3.910 10 0 CHAERN Cc1ccsc1[C@H](C)Nc1cccc(-n2nnnc2C)c1 ZINC000070091221 260152170 /nfs/dbraw/zinc/15/21/70/260152170.db2.gz GWQVPQDIYZSTHA-NSHDSACASA-N 0 0 299.403 3.514 10 0 CHAERN CSCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000041635578 260184605 /nfs/dbraw/zinc/18/46/05/260184605.db2.gz ASSMLZAIOQQUMD-OAHLLOKOSA-N 0 0 261.390 3.712 10 0 CHAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1nccs1 ZINC000086510017 260208284 /nfs/dbraw/zinc/20/82/84/260208284.db2.gz XQUYENBJNBNQOJ-SNVBAGLBSA-N 0 0 271.345 3.971 10 0 CHAERN CCn1cccc1CNc1cccc(OC(F)F)c1 ZINC000091024160 260265103 /nfs/dbraw/zinc/26/51/03/260265103.db2.gz RJYILHOXBPOWHO-UHFFFAOYSA-N 0 0 266.291 3.722 10 0 CHAERN CCOc1cc(F)ccc1NCc1cccn1CC ZINC000091024705 260265147 /nfs/dbraw/zinc/26/51/47/260265147.db2.gz LPUYRWCCTYWWHO-UHFFFAOYSA-N 0 0 262.328 3.658 10 0 CHAERN CCn1cccc1CNc1cc(Cl)c(OC)cc1OC ZINC000091022373 260265199 /nfs/dbraw/zinc/26/51/99/260265199.db2.gz VNAAJQHLODLNFH-UHFFFAOYSA-N 0 0 294.782 3.791 10 0 CHAERN CCOc1ccc(NCc2cccn2CC)cc1OC ZINC000091024348 260265279 /nfs/dbraw/zinc/26/52/79/260265279.db2.gz UKVRGPRBIWUYEG-UHFFFAOYSA-N 0 0 274.364 3.527 10 0 CHAERN CCOc1ccc2nc(NCc3cscn3)sc2c1 ZINC000093423874 260275921 /nfs/dbraw/zinc/27/59/21/260275921.db2.gz KNNRIARWOZHGGB-UHFFFAOYSA-N 0 0 291.401 3.764 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000408161707 260334980 /nfs/dbraw/zinc/33/49/80/260334980.db2.gz PAPWFJKVIBLNKM-KGYLQXTDSA-N 0 0 278.396 3.623 10 0 CHAERN Cc1cc2cc(NC(=O)C3C[C@@H](C)O[C@H](C)C3)ccc2[nH]1 ZINC000093943357 260340304 /nfs/dbraw/zinc/34/03/04/260340304.db2.gz DXZZJPHNDPNAQI-VXGBXAGGSA-N 0 0 286.375 3.618 10 0 CHAERN CC(C)c1ccc(C(=O)N2CCCc3c(N)cccc32)cc1 ZINC000126749873 260357530 /nfs/dbraw/zinc/35/75/30/260357530.db2.gz CCEMNFYFHOTVTM-UHFFFAOYSA-N 0 0 294.398 3.985 10 0 CHAERN CC[C@H](Nc1nccn2nc(C)cc12)c1cccs1 ZINC000129311668 260385139 /nfs/dbraw/zinc/38/51/39/260385139.db2.gz ZUAOJPIQCQHNLW-NSHDSACASA-N 0 0 272.377 3.662 10 0 CHAERN Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238722 260386387 /nfs/dbraw/zinc/38/63/87/260386387.db2.gz ADOUFKHLZTVPAT-SJLPKXTDSA-N 0 0 295.430 3.855 10 0 CHAERN Cc1ccccc1[C@H](C)SCc1nnc(C2CC2)n1C ZINC000091036837 260471669 /nfs/dbraw/zinc/47/16/69/260471669.db2.gz ZWNIRUXBUMWGSZ-LBPRGKRZSA-N 0 0 287.432 3.995 10 0 CHAERN Cc1cccnc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000145257013 260557284 /nfs/dbraw/zinc/55/72/84/260557284.db2.gz BSRKZVGHTJBZKF-UHFFFAOYSA-N 0 0 293.370 3.711 10 0 CHAERN CCn1nc(C)c([C@H](C)NCc2ccc(F)cc2F)c1C ZINC000051017061 260794467 /nfs/dbraw/zinc/79/44/67/260794467.db2.gz VWQDUHNEBFWEKD-JTQLQIEISA-N 0 0 293.361 3.649 10 0 CHAERN C[C@H](c1ccncc1)N(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152691033 261068532 /nfs/dbraw/zinc/06/85/32/261068532.db2.gz ZYLRUFGGHYSBDJ-XYPHTWIQSA-N 0 0 286.419 3.817 10 0 CHAERN O=C(CCCC1CCCCC1)N1CCC[C@@H]1CCCO ZINC000052759901 261128436 /nfs/dbraw/zinc/12/84/36/261128436.db2.gz WEEUSPFOLNVIHR-MRXNPFEDSA-N 0 0 281.440 3.501 10 0 CHAERN O=C(Nc1ccsc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000157228411 261142171 /nfs/dbraw/zinc/14/21/71/261142171.db2.gz QPBCXYWRJDRQCP-IUCAKERBSA-N 0 0 292.326 3.991 10 0 CHAERN O=C(Nc1ccc(O)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000173374716 261162955 /nfs/dbraw/zinc/16/29/55/261162955.db2.gz YXIRVQWWKHUCDJ-GJZGRUSLSA-N 0 0 259.349 3.547 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000158337874 261163241 /nfs/dbraw/zinc/16/32/41/261163241.db2.gz VCXZMJOXUCJFJP-ZACQAIPSSA-N 0 0 286.419 3.865 10 0 CHAERN C[C@@H](Nc1ncnc2ncccc21)c1ccc(Cl)s1 ZINC000092848514 261197573 /nfs/dbraw/zinc/19/75/73/261197573.db2.gz VLIONSVCBGCALN-MRVPVSSYSA-N 0 0 290.779 3.913 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000103357599 261278849 /nfs/dbraw/zinc/27/88/49/261278849.db2.gz GOWCVSQWZIGVFG-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC2(C)C)o1 ZINC000176432565 261285832 /nfs/dbraw/zinc/28/58/32/261285832.db2.gz AWXXJSOVMZMESA-AAEUAGOBSA-N 0 0 264.369 3.527 10 0 CHAERN Cc1cccc(SCc2nc(-c3ccoc3)no2)c1 ZINC000105573563 261313575 /nfs/dbraw/zinc/31/35/75/261313575.db2.gz IYZUBJPRPBCDHB-UHFFFAOYSA-N 0 0 272.329 3.930 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1cc(F)ccc1F ZINC000176899963 261316935 /nfs/dbraw/zinc/31/69/35/261316935.db2.gz YTAINSMTNFIDMV-SECBINFHSA-N 0 0 298.362 3.527 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105850618 261317149 /nfs/dbraw/zinc/31/71/49/261317149.db2.gz WLOVTVYMSPTVCM-SWLSCSKDSA-N 0 0 291.439 3.527 10 0 CHAERN CC[C@@H](SCc1nnnn1C(C)C)c1ccc(F)cc1 ZINC000176904139 261318069 /nfs/dbraw/zinc/31/80/69/261318069.db2.gz BEVYXLQOKKQMAT-CYBMUJFWSA-N 0 0 294.399 3.778 10 0 CHAERN COc1ccsc1C(=O)Nc1nc(C(C)C)cs1 ZINC000105944529 261318264 /nfs/dbraw/zinc/31/82/64/261318264.db2.gz CCYBJPPKAFFPQV-UHFFFAOYSA-N 0 0 282.390 3.589 10 0 CHAERN Cc1cc(C)c(NC(=O)N2CCS[C@@H](C)C2)c(C)c1 ZINC000170902567 261446414 /nfs/dbraw/zinc/44/64/14/261446414.db2.gz YQXMTNZLEBTYJP-ZDUSSCGKSA-N 0 0 278.421 3.581 10 0 CHAERN C[C@@H](NC(=O)N(C)C1CCCC1)c1ccc(F)c(F)c1 ZINC000172298112 261497750 /nfs/dbraw/zinc/49/77/50/261497750.db2.gz SRDSACXOFWKAKK-SNVBAGLBSA-N 0 0 282.334 3.610 10 0 CHAERN C[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)c1cccnc1 ZINC000173648670 261540891 /nfs/dbraw/zinc/54/08/91/261540891.db2.gz ZLCAUOMXZLGOPU-NEPJUHHUSA-N 0 0 288.778 3.716 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175229925 261599577 /nfs/dbraw/zinc/59/95/77/261599577.db2.gz SZBTZIJRPPVNPT-RKDXNWHRSA-N 0 0 259.802 3.666 10 0 CHAERN Cc1nc(CSCc2nccn2C(C)C)cs1 ZINC000175296517 261601790 /nfs/dbraw/zinc/60/17/90/261601790.db2.gz NLBPGOJPYRKCJN-UHFFFAOYSA-N 0 0 267.423 3.662 10 0 CHAERN Cc1cc(C)cc(C[S@@](=O)Cc2nccn2C(C)C)c1 ZINC000176838381 261671346 /nfs/dbraw/zinc/67/13/46/261671346.db2.gz AXMRKBJFGGMNRV-HXUWFJFHSA-N 0 0 290.432 3.530 10 0 CHAERN Cc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1C ZINC000180586480 261866823 /nfs/dbraw/zinc/86/68/23/261866823.db2.gz PVXYMPNNMHLUKW-INIZCTEOSA-N 0 0 298.390 3.786 10 0 CHAERN Cc1cccc(C)c1Cn1c2ccccc2nc1[C@H](C)O ZINC000181505857 261899686 /nfs/dbraw/zinc/89/96/86/261899686.db2.gz FCJPQPUMXBAHHP-AWEZNQCLSA-N 0 0 280.371 3.755 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccccc2CC)C12CCOCC2 ZINC000186444481 262093937 /nfs/dbraw/zinc/09/39/37/262093937.db2.gz XNKMOCSLKCAPCL-SJORKVTESA-N 0 0 289.419 3.635 10 0 CHAERN C[C@@H](NC(=O)[C@H](C)c1cccnc1)c1ccc(Cl)s1 ZINC000093049769 262213650 /nfs/dbraw/zinc/21/36/50/262213650.db2.gz PYGPLWROYSFMKL-NXEZZACHSA-N 0 0 294.807 3.777 10 0 CHAERN C[C@H](COCc1ccccc1)Nc1cnc2ccccc2n1 ZINC000390661394 262236549 /nfs/dbraw/zinc/23/65/49/262236549.db2.gz NJSNKPASSDSUGY-CQSZACIVSA-N 0 0 293.370 3.647 10 0 CHAERN COC[C@H](C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000188384086 262293502 /nfs/dbraw/zinc/29/35/02/262293502.db2.gz MLRKVQGHZTUJCS-HNNXBMFYSA-N 0 0 297.398 3.561 10 0 CHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000186526685 262315830 /nfs/dbraw/zinc/31/58/30/262315830.db2.gz OWZIQDQOFRBVFG-HZMBPMFUSA-N 0 0 269.344 3.702 10 0 CHAERN Cc1cc(Br)ccc1N[C@H](C)c1cn[nH]c1 ZINC000285306377 263092076 /nfs/dbraw/zinc/09/20/76/263092076.db2.gz SHCWIMMSDRHYMM-SECBINFHSA-N 0 0 280.169 3.654 10 0 CHAERN C[C@@H](NC(=O)N1CCCc2ccccc2C1)C(C)(C)C ZINC000171949727 335086360 /nfs/dbraw/zinc/08/63/60/335086360.db2.gz LDICARBTKOCBBH-CYBMUJFWSA-N 0 0 274.408 3.579 10 0 CHAERN Cc1ncccc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000179282788 265744098 /nfs/dbraw/zinc/74/40/98/265744098.db2.gz LXKLXKBNHUHWPY-PXAZEXFGSA-N 0 0 280.371 3.758 10 0 CHAERN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116046625 267121191 /nfs/dbraw/zinc/12/11/91/267121191.db2.gz YQDWPEXDDAGJTM-HOCLYGCPSA-N 0 0 299.370 3.719 10 0 CHAERN Cc1cccc(CCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116046290 267121270 /nfs/dbraw/zinc/12/12/70/267121270.db2.gz JJXHDQUVJVSJCC-MRXNPFEDSA-N 0 0 283.371 3.884 10 0 CHAERN CCc1ccccc1NC(=O)CN1CCC[C@H]1c1ccco1 ZINC000116290156 267135981 /nfs/dbraw/zinc/13/59/81/267135981.db2.gz JJAIIVQFEVQRMS-INIZCTEOSA-N 0 0 298.386 3.618 10 0 CHAERN Fc1cccc(CN2CCC[C@H]2c2ccco2)c1F ZINC000116292668 267137975 /nfs/dbraw/zinc/13/79/75/267137975.db2.gz RWGJJLQNORXBOX-ZDUSSCGKSA-N 0 0 263.287 3.895 10 0 CHAERN O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116475574 267152865 /nfs/dbraw/zinc/15/28/65/267152865.db2.gz ZKWZVKWTAUUMHA-CYBMUJFWSA-N 0 0 292.285 3.927 10 0 CHAERN Fc1cccc(F)c1[C@H]1C[C@H]1c1nc(-c2ccncc2)no1 ZINC000116604570 267167495 /nfs/dbraw/zinc/16/74/95/267167495.db2.gz YQDDGXYHLJDYLA-WDEREUQCSA-N 0 0 299.280 3.681 10 0 CHAERN O=C(CCN1CCC[C@H]1c1nccs1)c1ccccc1 ZINC000368402649 267170321 /nfs/dbraw/zinc/17/03/21/267170321.db2.gz MSTPQRTYWSNFEO-AWEZNQCLSA-N 0 0 286.400 3.553 10 0 CHAERN CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117566791 267215964 /nfs/dbraw/zinc/21/59/64/267215964.db2.gz FFWQOUIRZFBOAV-SJCJKPOMSA-N 0 0 297.354 3.589 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000370714715 267340943 /nfs/dbraw/zinc/34/09/43/267340943.db2.gz CQEBFCPPKOFTRL-HOCLYGCPSA-N 0 0 268.360 3.573 10 0 CHAERN CC[C@@H](C)N(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121048477 267549888 /nfs/dbraw/zinc/54/98/88/267549888.db2.gz DCKPJJFJOAHBNI-TZMCWYRMSA-N 0 0 290.407 3.729 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1CCC12CCCCC2 ZINC000372965277 267621200 /nfs/dbraw/zinc/62/12/00/267621200.db2.gz BRKBGCYCJLHGQJ-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN CCCCC1CCC(C(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000324436509 328750752 /nfs/dbraw/zinc/75/07/52/328750752.db2.gz RKZAEXWUZQBKGG-YMAMQOFZSA-N 0 0 283.456 3.506 10 0 CHAERN CC1CC(C(=O)Nc2cc(F)ccc2Br)C1 ZINC000531558177 328017502 /nfs/dbraw/zinc/01/75/02/328017502.db2.gz GUWPOLXHCMTXKV-UHFFFAOYSA-N 0 0 286.144 3.573 10 0 CHAERN COc1ccc(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)c(O)c1 ZINC000111689052 328374985 /nfs/dbraw/zinc/37/49/85/328374985.db2.gz OIFOEPXLPSLNHF-GHMZBOCLSA-N 0 0 288.347 3.745 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1O ZINC000049932744 328381469 /nfs/dbraw/zinc/38/14/69/328381469.db2.gz NKLOUXONCIHBQO-INIZCTEOSA-N 0 0 281.355 3.508 10 0 CHAERN O=C(c1ccc(F)cc1F)N1CCC[C@H]1c1ccco1 ZINC000116042399 326810676 /nfs/dbraw/zinc/81/06/76/326810676.db2.gz OIFAIXGLHZYMQL-ZDUSSCGKSA-N 0 0 277.270 3.535 10 0 CHAERN O=C(NCCc1ccsc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000150831614 327386585 /nfs/dbraw/zinc/38/65/85/327386585.db2.gz ZEENXXVPIYSJEY-CABCVRRESA-N 0 0 277.433 3.623 10 0 CHAERN CC(=O)Nc1ccc(N[C@@H]2CCC2(C)C)cc1Cl ZINC000336322506 327562020 /nfs/dbraw/zinc/56/20/20/327562020.db2.gz OXXKXIBQRVBWTQ-CYBMUJFWSA-N 0 0 266.772 3.899 10 0 CHAERN CC(C)OC[C@@H](O)CSc1c(Cl)cccc1Cl ZINC000102663987 328710706 /nfs/dbraw/zinc/71/07/06/328710706.db2.gz IRCYPMJPLCEEJQ-SECBINFHSA-N 0 0 295.231 3.871 10 0 CHAERN Cc1cccc(OCCCC(=O)N2CCCC2(C)C)c1 ZINC000102919711 328715860 /nfs/dbraw/zinc/71/58/60/328715860.db2.gz FABVLUGPJKMEAK-UHFFFAOYSA-N 0 0 275.392 3.555 10 0 CHAERN COC[C@@H](C)C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000103387054 328769860 /nfs/dbraw/zinc/76/98/60/328769860.db2.gz ZNXLCKSATGOCFM-MRXNPFEDSA-N 0 0 297.398 3.545 10 0 CHAERN C[C@@H](NC(=O)Nc1nncs1)c1ccc2ccccc2c1 ZINC000043128261 328775183 /nfs/dbraw/zinc/77/51/83/328775183.db2.gz HSNFJWQUXKMPOT-SNVBAGLBSA-N 0 0 298.371 3.574 10 0 CHAERN CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042494 328933968 /nfs/dbraw/zinc/93/39/68/328933968.db2.gz JKERVUWXHLCXLM-HUUCEWRRSA-N 0 0 291.391 3.681 10 0 CHAERN O=C(C[C@@H]1C=CCC1)N1CC=C(c2cccs2)CC1 ZINC000117724359 328942907 /nfs/dbraw/zinc/94/29/07/328942907.db2.gz CDMCBIOVINFYHT-CYBMUJFWSA-N 0 0 273.401 3.720 10 0 CHAERN CC(C)n1ccnc1CN1CC=C(c2ccccc2)CC1 ZINC000170957704 329072609 /nfs/dbraw/zinc/07/26/09/329072609.db2.gz KTUCFOVJOXCGSD-UHFFFAOYSA-N 0 0 281.403 3.753 10 0 CHAERN c1ccc(CC2CCN(c3nc4ccccc4o3)CC2)nc1 ZINC000171631912 329075045 /nfs/dbraw/zinc/07/50/45/329075045.db2.gz URPICKGKHPSBGB-UHFFFAOYSA-N 0 0 293.370 3.682 10 0 CHAERN C[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172090574 329081044 /nfs/dbraw/zinc/08/10/44/329081044.db2.gz OTNPTKWCIHAWNH-XJKSGUPXSA-N 0 0 287.403 3.843 10 0 CHAERN Cn1c(CN2CCC[C@H]2c2ccco2)nc2ccccc21 ZINC000172029514 329083269 /nfs/dbraw/zinc/08/32/69/329083269.db2.gz WCYRNSCVKALYPB-HNNXBMFYSA-N 0 0 281.359 3.503 10 0 CHAERN Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)n1 ZINC000172044222 329083599 /nfs/dbraw/zinc/08/35/99/329083599.db2.gz WWENZHULWIWFQW-PXAZEXFGSA-N 0 0 296.370 3.510 10 0 CHAERN Cc1cccnc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000172221142 329084164 /nfs/dbraw/zinc/08/41/64/329084164.db2.gz WWEFZHKCAUOOHI-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 ZINC000173413916 329146759 /nfs/dbraw/zinc/14/67/59/329146759.db2.gz FPVILQPHEUKGAR-ZIAGYGMSSA-N 0 0 290.432 3.514 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173439580 329146943 /nfs/dbraw/zinc/14/69/43/329146943.db2.gz QODGGYQTKJZHBY-CHWSQXEVSA-N 0 0 293.411 3.683 10 0 CHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000173733291 329148026 /nfs/dbraw/zinc/14/80/26/329148026.db2.gz ULLYHJSMAMNHGU-IAGOWNOFSA-N 0 0 283.415 3.891 10 0 CHAERN Cc1cscc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000175241830 329166893 /nfs/dbraw/zinc/16/68/93/329166893.db2.gz SBWXPISOJQITQN-HNNXBMFYSA-N 0 0 271.385 3.864 10 0 CHAERN CC(C)CC1(C(=O)N[C@H]2CCOc3ccccc32)CCC1 ZINC000176335030 329174752 /nfs/dbraw/zinc/17/47/52/329174752.db2.gz HZZCPUBAZWPIKI-HNNXBMFYSA-N 0 0 287.403 3.843 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)c(F)cc1F ZINC000176406503 329175292 /nfs/dbraw/zinc/17/52/92/329175292.db2.gz JCYFNYUIPFRUKF-CQSZACIVSA-N 0 0 291.297 3.844 10 0 CHAERN O=C(CC1CCCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176512668 329175989 /nfs/dbraw/zinc/17/59/89/329175989.db2.gz DPPUATKFINPTAB-MRXNPFEDSA-N 0 0 289.423 3.824 10 0 CHAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685448 329177968 /nfs/dbraw/zinc/17/79/68/329177968.db2.gz FTRSWYDIGDQVOX-XJKSGUPXSA-N 0 0 298.434 3.761 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1cccc(Cl)c1 ZINC000176900195 329179590 /nfs/dbraw/zinc/17/95/90/329179590.db2.gz BNUOZDBHNVLWHH-SNVBAGLBSA-N 0 0 296.827 3.902 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(Br)c2)o1 ZINC000220924638 329204105 /nfs/dbraw/zinc/20/41/05/329204105.db2.gz CLLALUCWRCPVIY-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN Cc1ccc(NC(=O)c2cccn2C2CCCC2)c(O)c1 ZINC000179924690 329213507 /nfs/dbraw/zinc/21/35/07/329213507.db2.gz MXVKYPMHUDREGN-UHFFFAOYSA-N 0 0 284.359 3.870 10 0 CHAERN COCCC1(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC000180448667 329217338 /nfs/dbraw/zinc/21/73/38/329217338.db2.gz JBUUUDNQIGSXGQ-CABCVRRESA-N 0 0 295.467 3.772 10 0 CHAERN CC(=O)c1cnc(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180614772 329221200 /nfs/dbraw/zinc/22/12/00/329221200.db2.gz LZLFVTHQNMSLPR-ONGXEEELSA-N 0 0 294.420 3.747 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccoc1)[C@H](C)C2 ZINC000181252666 329228022 /nfs/dbraw/zinc/22/80/22/329228022.db2.gz KNXIPFDERHPTOI-FZKQIMNGSA-N 0 0 283.371 3.570 10 0 CHAERN Cc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000181829976 329237660 /nfs/dbraw/zinc/23/76/60/329237660.db2.gz INWFXZHFKWBQLS-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN O=C(Nc1ccnc(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000181887650 329238332 /nfs/dbraw/zinc/23/83/32/329238332.db2.gz POHNSVYJOHIBNK-LLVKDONJSA-N 0 0 291.738 3.697 10 0 CHAERN C[C@H]1C[C@@H](C(=O)Nc2nccs2)CC(C)(C)C1 ZINC000182222046 329241152 /nfs/dbraw/zinc/24/11/52/329241152.db2.gz AGPIVLOJPCDPDI-VHSXEESVSA-N 0 0 252.383 3.544 10 0 CHAERN Cc1nscc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000182300081 329241635 /nfs/dbraw/zinc/24/16/35/329241635.db2.gz YPUSQSOIFULXRC-BONVTDFDSA-N 0 0 286.400 3.820 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2nccs2)n1 ZINC000183440042 329247679 /nfs/dbraw/zinc/24/76/79/329247679.db2.gz KKUAUVSXXMAENI-LBPRGKRZSA-N 0 0 284.388 3.810 10 0 CHAERN CCOC(=O)Nc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1 ZINC000321065287 329249167 /nfs/dbraw/zinc/24/91/67/329249167.db2.gz JQMDNLXMLZSUQM-GYSYKLTISA-N 0 0 262.353 3.711 10 0 CHAERN Clc1cnc(CNc2cccc3cnccc32)s1 ZINC000225320987 329250861 /nfs/dbraw/zinc/25/08/61/329250861.db2.gz XPEFLUJYWDDKKN-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN CC(C)c1ccc(NC(=O)N2CCCO[C@H](C)C2)cc1F ZINC000184435546 329257933 /nfs/dbraw/zinc/25/79/33/329257933.db2.gz OBXWMPBYQHMECK-GFCCVEGCSA-N 0 0 294.370 3.592 10 0 CHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCC2(CC2)C1 ZINC000185410470 329273137 /nfs/dbraw/zinc/27/31/37/329273137.db2.gz BOYLYMXLCZLXLW-CABCVRRESA-N 0 0 261.409 3.605 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(C)c(F)c2)C12CCOCC2 ZINC000186447402 329342665 /nfs/dbraw/zinc/34/26/65/329342665.db2.gz GTPJASHFOOTURE-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cccc(F)c2C)C12CCOCC2 ZINC000186478722 329342981 /nfs/dbraw/zinc/34/29/81/329342981.db2.gz PWZXKVMJZXJBNW-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(F)c1 ZINC000186535697 329344768 /nfs/dbraw/zinc/34/47/68/329344768.db2.gz AIXCHORTVSNRTH-NSHDSACASA-N 0 0 299.349 3.976 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000188305997 329366138 /nfs/dbraw/zinc/36/61/38/329366138.db2.gz PGSYZVQPEUESSU-IINYFYTJSA-N 0 0 297.782 3.633 10 0 CHAERN CC[C@H](C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000188377457 329366608 /nfs/dbraw/zinc/36/66/08/329366608.db2.gz LNJKAQNKWLGQKD-WCQYABFASA-N 0 0 280.437 3.594 10 0 CHAERN CCc1ccccc1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000188418122 329368502 /nfs/dbraw/zinc/36/85/02/329368502.db2.gz BHXUPPYUIYKNIZ-MRXNPFEDSA-N 0 0 283.371 3.748 10 0 CHAERN CSC1(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000188422634 329368522 /nfs/dbraw/zinc/36/85/22/329368522.db2.gz JJVLDXCWGJQCRB-SMDDNHRTSA-N 0 0 275.417 3.637 10 0 CHAERN CSC1(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000188422568 329368605 /nfs/dbraw/zinc/36/86/05/329368605.db2.gz JJVLDXCWGJQCRB-RISCZKNCSA-N 0 0 275.417 3.637 10 0 CHAERN CC[C@@H](C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000190312899 329394725 /nfs/dbraw/zinc/39/47/25/329394725.db2.gz WMDULPRZEFIHSU-CYBMUJFWSA-N 0 0 275.367 3.878 10 0 CHAERN CCC[C@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375003 329395588 /nfs/dbraw/zinc/39/55/88/329395588.db2.gz VOYXVQRIVBDQEN-SRVKXCTJSA-N 0 0 266.385 3.892 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2F)o1 ZINC000040419547 329556056 /nfs/dbraw/zinc/55/60/56/329556056.db2.gz AVPQGJAFOXTQSO-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cccc2ccccc21 ZINC000123551456 329560112 /nfs/dbraw/zinc/56/01/12/329560112.db2.gz UOUYKKACXDXIDS-IIYDPXPESA-N 0 0 283.371 3.585 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)Cc2cccc(O)c2)c2ccccc21 ZINC000124838496 329574536 /nfs/dbraw/zinc/57/45/36/329574536.db2.gz IJHWHBGHGFXCPP-SCLBCKFNSA-N 0 0 295.382 3.690 10 0 CHAERN COc1ccc2oc(CN[C@H]3COc4ccccc43)cc2c1 ZINC000125026964 329576484 /nfs/dbraw/zinc/57/64/84/329576484.db2.gz BFIIIXUCBMHSGE-INIZCTEOSA-N 0 0 295.338 3.665 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1C(F)(F)F ZINC000125357731 329581719 /nfs/dbraw/zinc/58/17/19/329581719.db2.gz AVGCRJFYICITNF-CABZTGNLSA-N 0 0 287.281 3.520 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccs2)o1 ZINC000127541477 329600388 /nfs/dbraw/zinc/60/03/88/329600388.db2.gz BTDOEWMCWLEQOU-CQSZACIVSA-N 0 0 289.400 3.946 10 0 CHAERN CC(C)[C@@H](C)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000048843855 329630691 /nfs/dbraw/zinc/63/06/91/329630691.db2.gz OFMBPVRQRXCWIO-SNVBAGLBSA-N 0 0 288.313 3.549 10 0 CHAERN CC[C@]1(C)C[C@@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000131057969 329631144 /nfs/dbraw/zinc/63/11/44/329631144.db2.gz ZEQMWWDTQAFSQF-CZUORRHYSA-N 0 0 275.417 3.800 10 0 CHAERN Cc1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1C ZINC000053961246 329668490 /nfs/dbraw/zinc/66/84/90/329668490.db2.gz OEYLVDUKLLWZRV-INIZCTEOSA-N 0 0 296.370 3.949 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2c2nc3ccccc3o2)no1 ZINC000195313519 329692854 /nfs/dbraw/zinc/69/28/54/329692854.db2.gz SGEZMTYYMKFHER-LBPRGKRZSA-N 0 0 298.346 3.676 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000067793975 329851405 /nfs/dbraw/zinc/85/14/05/329851405.db2.gz YNZWYQULXOZINQ-KXBFYZLASA-N 0 0 296.414 3.969 10 0 CHAERN Cc1cnc(NC(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000075995902 329888976 /nfs/dbraw/zinc/88/89/76/329888976.db2.gz FVVDDOGILPUHLP-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000248470604 329894202 /nfs/dbraw/zinc/89/42/02/329894202.db2.gz IABRXIQUBSLGOZ-XEZPLFJOSA-N 0 0 292.448 3.879 10 0 CHAERN Cc1ccc(N)cc1C(=O)N[C@H](C)[C@H](C)C1CCCCC1 ZINC000262427546 330010044 /nfs/dbraw/zinc/01/00/44/330010044.db2.gz VZRNTKRFXSJVFN-UONOGXRCSA-N 0 0 288.435 3.912 10 0 CHAERN CCC(CC)(C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C)C(=O)[O-] ZINC000263058613 330041288 /nfs/dbraw/zinc/04/12/88/330041288.db2.gz MDHBVJGLNPISBM-BBRMVZONSA-N 0 0 289.419 3.709 10 0 CHAERN CCCC[C@H]([NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263435372 330055834 /nfs/dbraw/zinc/05/58/34/330055834.db2.gz UJBWENWELQHCML-BPUTZDHNSA-N 0 0 293.382 3.695 10 0 CHAERN CC1(C)C[C@H](Nc2ccc(C(F)(F)F)cc2)CO1 ZINC000396854250 330227441 /nfs/dbraw/zinc/22/74/41/330227441.db2.gz QKYWCYAKAIBMRT-NSHDSACASA-N 0 0 259.271 3.685 10 0 CHAERN CC1(C)C[C@@H](Nc2ccc(C(F)(F)F)cc2)CO1 ZINC000396854248 330227505 /nfs/dbraw/zinc/22/75/05/330227505.db2.gz QKYWCYAKAIBMRT-LLVKDONJSA-N 0 0 259.271 3.685 10 0 CHAERN CC(=O)c1cncc(-c2ccc3c(c2)C(C)(C)CO3)c1 ZINC000527590635 330265005 /nfs/dbraw/zinc/26/50/05/330265005.db2.gz VHCGZSZQLPTVEH-UHFFFAOYSA-N 0 0 267.328 3.621 10 0 CHAERN Cc1ccc(CCCC(=O)N2Cc3ccccc3C2)cc1 ZINC000105977080 330329846 /nfs/dbraw/zinc/32/98/46/330329846.db2.gz VUQNWQCFWTXZFG-UHFFFAOYSA-N 0 0 279.383 3.860 10 0 CHAERN CC(C)N(C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000086364107 330369420 /nfs/dbraw/zinc/36/94/20/330369420.db2.gz FLBQBBLNOBWZFT-SNVBAGLBSA-N 0 0 299.212 3.560 10 0 CHAERN CCC1(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CCC1 ZINC000119494764 330375915 /nfs/dbraw/zinc/37/59/15/330375915.db2.gz AZBJWJFEJLNTCV-LBPRGKRZSA-N 0 0 263.356 3.892 10 0 CHAERN FC(F)(F)Oc1ccc2c(c1)C1(CCCC1)CN2 ZINC000236108529 330381905 /nfs/dbraw/zinc/38/19/05/330381905.db2.gz ZBSUNYLEMWEDHC-UHFFFAOYSA-N 0 0 257.255 3.823 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536952091 330382477 /nfs/dbraw/zinc/38/24/77/330382477.db2.gz BFVJIROVRMRTLQ-BBRMVZONSA-N 0 0 281.396 3.559 10 0 CHAERN CCS(=O)(CC)=Nc1ccc(F)c(Br)c1 ZINC000536957934 330383587 /nfs/dbraw/zinc/38/35/87/330383587.db2.gz RRPKGWQUOYDITA-UHFFFAOYSA-N 0 0 294.189 3.728 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)O1 ZINC000125333442 330397439 /nfs/dbraw/zinc/39/74/39/330397439.db2.gz LECUIYYQQSFUFU-KSSFIOAISA-N 0 0 295.382 3.783 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000060249644 330412029 /nfs/dbraw/zinc/41/20/29/330412029.db2.gz MBDGXQSIKCGEAX-QMMMGPOBSA-N 0 0 277.261 3.619 10 0 CHAERN CC1(C)C[C@@H](NC(=O)NC2CCCC2)c2ccccc2O1 ZINC000152095483 330629759 /nfs/dbraw/zinc/62/97/59/330629759.db2.gz WDERNUVQUQQSIU-CQSZACIVSA-N 0 0 288.391 3.531 10 0 CHAERN O=C(CC1CCCCCC1)Nc1ccc2c(c1)CCN2 ZINC000156690486 330744168 /nfs/dbraw/zinc/74/41/68/330744168.db2.gz MHHWUPKEPAEUFZ-UHFFFAOYSA-N 0 0 272.392 3.954 10 0 CHAERN Clc1cc(N[C@H]2COc3ccccc32)nc(C2CC2)n1 ZINC000162957405 330970399 /nfs/dbraw/zinc/97/03/99/330970399.db2.gz DFJIKZROZMKVLN-NSHDSACASA-N 0 0 287.750 3.553 10 0 CHAERN C=Cn1cc(CNc2nc3c(cc(C)cc3C)s2)cn1 ZINC000195003186 331128053 /nfs/dbraw/zinc/12/80/53/331128053.db2.gz VCXDJOXEJVMTRX-UHFFFAOYSA-N 0 0 284.388 3.822 10 0 CHAERN CCOc1ccc(N[C@H](C)c2cncs2)cc1OC ZINC000165490582 331306232 /nfs/dbraw/zinc/30/62/32/331306232.db2.gz AKNIQSMCBMPFSB-SNVBAGLBSA-N 0 0 278.377 3.724 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000173330464 332969451 /nfs/dbraw/zinc/96/94/51/332969451.db2.gz MIKOMXNOCLYXQT-RDBSUJKOSA-N 0 0 278.396 3.807 10 0 CHAERN CC[C@H](C)[C@H](C)N(C(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000175163380 333016110 /nfs/dbraw/zinc/01/61/10/333016110.db2.gz SGNZCHCMLXSESU-AVGNSLFASA-N 0 0 254.418 3.640 10 0 CHAERN CC(C)N(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000175686082 333029177 /nfs/dbraw/zinc/02/91/77/333029177.db2.gz WYTSTDPPWFTMMI-QWRGUYRKSA-N 0 0 292.345 3.690 10 0 CHAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)sn1 ZINC000176416622 333041973 /nfs/dbraw/zinc/04/19/73/333041973.db2.gz MNIBAZMNWGSJRY-NEPJUHHUSA-N 0 0 264.394 3.606 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000177929793 333065811 /nfs/dbraw/zinc/06/58/11/333065811.db2.gz HDGSSNIHZYBRDD-DVOMOZLQSA-N 0 0 275.392 3.555 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000178048437 333067092 /nfs/dbraw/zinc/06/70/92/333067092.db2.gz OBQZVJMOKAKIJH-TZMCWYRMSA-N 0 0 275.392 3.697 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000178048459 333067259 /nfs/dbraw/zinc/06/72/59/333067259.db2.gz OBQZVJMOKAKIJH-OCCSQVGLSA-N 0 0 275.392 3.697 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2C=CCC2)cc1F ZINC000088234873 333087280 /nfs/dbraw/zinc/08/72/80/333087280.db2.gz FLTYSMPEPCIMSJ-QWHCGFSZSA-N 0 0 261.340 3.668 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2C=CCC2)cc1F ZINC000088234871 333087370 /nfs/dbraw/zinc/08/73/70/333087370.db2.gz FLTYSMPEPCIMSJ-STQMWFEESA-N 0 0 261.340 3.668 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCCc2ccccc2O)CC(C)(C)C1 ZINC000183310730 333120100 /nfs/dbraw/zinc/12/01/00/333120100.db2.gz VTYYULUFPCSZOJ-UKRRQHHQSA-N 0 0 289.419 3.513 10 0 CHAERN C[C@H](NC(=O)c1c[nH]c2cc(F)ccc12)c1cccs1 ZINC000184018648 333124429 /nfs/dbraw/zinc/12/44/29/333124429.db2.gz XYYJHVWRRYUIIU-VIFPVBQESA-N 0 0 288.347 3.860 10 0 CHAERN CCOC(=O)c1ccc(SCC2CCCC2)nc1 ZINC000219324348 333146875 /nfs/dbraw/zinc/14/68/75/333146875.db2.gz NCENGPJXBQSJQG-UHFFFAOYSA-N 0 0 265.378 3.541 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccccc2OC(C)C)o1 ZINC000220916147 333170782 /nfs/dbraw/zinc/17/07/82/333170782.db2.gz LIYJWWANOMJVEM-ZDUSSCGKSA-N 0 0 274.364 3.621 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000189234434 333187242 /nfs/dbraw/zinc/18/72/42/333187242.db2.gz MGHNDUOZBMCQCV-PWSUYJOCSA-N 0 0 251.345 3.748 10 0 CHAERN O=C(c1csc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000189298376 333189785 /nfs/dbraw/zinc/18/97/85/333189785.db2.gz JLFKUNOUJLWMIX-JTQLQIEISA-N 0 0 281.764 3.972 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000189493321 333193659 /nfs/dbraw/zinc/19/36/59/333193659.db2.gz GFRDRKHJYRRLAK-AAEUAGOBSA-N 0 0 287.325 3.712 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000190266619 333204970 /nfs/dbraw/zinc/20/49/70/333204970.db2.gz FJCAPGTXXAKCSH-WCBMZHEXSA-N 0 0 288.174 3.747 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc2ccccc2c1 ZINC000190621145 333209029 /nfs/dbraw/zinc/20/90/29/333209029.db2.gz LRQRYNPSEDLNRG-SUNYJGFJSA-N 0 0 297.398 3.832 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC3(CCCCC3)CC2)O1 ZINC000190674708 333209407 /nfs/dbraw/zinc/20/94/07/333209407.db2.gz RUZRJYZJBKQPNP-CABCVRRESA-N 0 0 279.424 3.517 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000191579093 333221929 /nfs/dbraw/zinc/22/19/29/333221929.db2.gz CNJBSZFLDYKYLY-IUODEOHRSA-N 0 0 295.382 3.692 10 0 CHAERN COc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1O ZINC000195222184 333248270 /nfs/dbraw/zinc/24/82/70/333248270.db2.gz HAAPMOUECLRDNP-KGLIPLIRSA-N 0 0 289.375 3.556 10 0 CHAERN CCC1CCC(NC(=O)[C@@H](C)c2cccc(OC)c2)CC1 ZINC000194444605 333271385 /nfs/dbraw/zinc/27/13/85/333271385.db2.gz DJYIYFLUXJTKAT-HLIUYOAVSA-N 0 0 289.419 3.884 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1Br ZINC000230041666 333312549 /nfs/dbraw/zinc/31/25/49/333312549.db2.gz ZMPDTTNXDGTOCL-NXEZZACHSA-N 0 0 282.181 3.824 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000230041691 333312514 /nfs/dbraw/zinc/31/25/14/333312514.db2.gz DPQWLCJMDRQSNY-SKDRFNHKSA-N 0 0 282.181 3.824 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc3ccccc3c2)o1 ZINC000230642470 333319272 /nfs/dbraw/zinc/31/92/72/333319272.db2.gz RJIVGSFZAQDWHY-ZDUSSCGKSA-N 0 0 266.344 3.987 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(C3CC3)cc2)o1 ZINC000235525198 333370416 /nfs/dbraw/zinc/37/04/16/333370416.db2.gz OJCCIIPBUDHKNL-LBPRGKRZSA-N 0 0 256.349 3.711 10 0 CHAERN CCc1ccc([C@@H](CC)Nc2cnn(CCOC)c2)cc1 ZINC000037090328 333477780 /nfs/dbraw/zinc/47/77/80/333477780.db2.gz JDMHOIQYLNKLNS-QGZVFWFLSA-N 0 0 287.407 3.655 10 0 CHAERN COc1ccc(CNc2cc(C)ccc2OC)cc1C ZINC000037200836 333512859 /nfs/dbraw/zinc/51/28/59/333512859.db2.gz CNWWNYZPEJQTLF-UHFFFAOYSA-N 0 0 271.360 3.933 10 0 CHAERN Cc1n[nH]cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000068082587 333668903 /nfs/dbraw/zinc/66/89/03/333668903.db2.gz GEGDNKIMGNGSQB-LLVKDONJSA-N 0 0 285.391 3.507 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2cccc(-c3nncn3C)c2)[C@@H]1C ZINC000068623600 333714426 /nfs/dbraw/zinc/71/44/26/333714426.db2.gz PRMJAZXUABKVLJ-IOASZLSFSA-N 0 0 284.407 3.719 10 0 CHAERN O=C(CCC1CCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128881625 333723454 /nfs/dbraw/zinc/72/34/54/333723454.db2.gz AFZUURFUHNQFIG-AWEZNQCLSA-N 0 0 299.336 3.857 10 0 CHAERN C[C@H]1CC[C@@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000129181656 333752168 /nfs/dbraw/zinc/75/21/68/333752168.db2.gz NFIBCEJYKQHZEO-CABZTGNLSA-N 0 0 278.739 3.554 10 0 CHAERN COc1ccc([C@@H](C)C(=O)N2CC[C@H](CC(C)C)C2)cc1 ZINC000073188836 333969112 /nfs/dbraw/zinc/96/91/12/333969112.db2.gz UDSYTPHPFJHFLO-HUUCEWRRSA-N 0 0 289.419 3.693 10 0 CHAERN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2C)CCS1 ZINC000073414568 333972291 /nfs/dbraw/zinc/97/22/91/333972291.db2.gz CPQMWYLWTYRQDM-UONOGXRCSA-N 0 0 292.448 3.593 10 0 CHAERN CC(C)C(=O)CNC(=O)N(c1ccccc1)c1ccccc1 ZINC000133673593 334049445 /nfs/dbraw/zinc/04/94/45/334049445.db2.gz OWWURSSXNZABTK-UHFFFAOYSA-N 0 0 296.370 3.759 10 0 CHAERN CCc1cnc([C@H](C)Nc2ncnc3ccccc32)s1 ZINC000134928226 334108609 /nfs/dbraw/zinc/10/86/09/334108609.db2.gz XKVSMGISNCJRDG-JTQLQIEISA-N 0 0 284.388 3.822 10 0 CHAERN CC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000077826065 334115564 /nfs/dbraw/zinc/11/55/64/334115564.db2.gz UQVMRFLSEGSBBW-ZJUUUORDSA-N 0 0 299.212 3.608 10 0 CHAERN Cc1cc(Br)cc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000135111856 334116010 /nfs/dbraw/zinc/11/60/10/334116010.db2.gz AZQOULXRYATFIT-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN CCC1(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000078357508 334131855 /nfs/dbraw/zinc/13/18/55/334131855.db2.gz VSRSVJAKJYLULD-QWRGUYRKSA-N 0 0 292.345 3.597 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(NC(C)=O)c(OC)c2)C1 ZINC000080444397 334171398 /nfs/dbraw/zinc/17/13/98/334171398.db2.gz FYBIFUOXDHMKBI-CHWSQXEVSA-N 0 0 276.380 3.644 10 0 CHAERN CCNC(=O)c1ccc(C)c(N[C@@H]2CC[C@H](CC)C2)c1 ZINC000080454736 334171685 /nfs/dbraw/zinc/17/16/85/334171685.db2.gz VCJLRUSMOJWRHI-DZGCQCFKSA-N 0 0 274.408 3.735 10 0 CHAERN CCNC(=O)c1ccc(C)c(N[C@@H]2CC[C@@H](CC)C2)c1 ZINC000080454730 334171715 /nfs/dbraw/zinc/17/17/15/334171715.db2.gz VCJLRUSMOJWRHI-UKRRQHHQSA-N 0 0 274.408 3.735 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000080491570 334172056 /nfs/dbraw/zinc/17/20/56/334172056.db2.gz AOMRWBYNQOVECR-AAEUAGOBSA-N 0 0 258.365 3.562 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCC2CC2)cc1 ZINC000081022495 334176554 /nfs/dbraw/zinc/17/65/54/334176554.db2.gz VPNBJMAXFWBHBJ-IRXDYDNUSA-N 0 0 271.404 3.830 10 0 CHAERN CC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000246929092 334272012 /nfs/dbraw/zinc/27/20/12/334272012.db2.gz NKUVBDWKJJVJMM-RCBQFDQVSA-N 0 0 259.393 3.828 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)O1 ZINC000246004041 334227506 /nfs/dbraw/zinc/22/75/06/334227506.db2.gz KCXDFEHYXPFHOX-KCPJHIHWSA-N 0 0 293.382 3.597 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000247101202 334275811 /nfs/dbraw/zinc/27/58/11/334275811.db2.gz XFALSRNKOSLWOE-BPNCWPANSA-N 0 0 293.357 3.763 10 0 CHAERN CC(C)[C@H](C(=O)N[C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000246416754 334256977 /nfs/dbraw/zinc/25/69/77/334256977.db2.gz HPDXCUZXJRNZRO-SWHYSGLUSA-N 0 0 265.784 3.604 10 0 CHAERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@H]1C)c1ccc(F)c(F)c1 ZINC000247488057 334282565 /nfs/dbraw/zinc/28/25/65/334282565.db2.gz VLVCVFWZQQHADN-IJLUTSLNSA-N 0 0 296.361 3.856 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000247658758 334287260 /nfs/dbraw/zinc/28/72/60/334287260.db2.gz ZDZVGBPOBANIRT-BPUTZDHNSA-N 0 0 298.386 3.752 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCS[C@@H](C)CC2)CC(C)(C)C1 ZINC000248658140 334311374 /nfs/dbraw/zinc/31/13/74/334311374.db2.gz FVVCEQQMMVDIKU-RDBSUJKOSA-N 0 0 283.481 3.803 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H]1CCC[C@@H]1C ZINC000086674148 334314623 /nfs/dbraw/zinc/31/46/23/334314623.db2.gz AKRLPUKSUBDJST-GWCFXTLKSA-N 0 0 257.337 3.646 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000250541363 334345946 /nfs/dbraw/zinc/34/59/46/334345946.db2.gz NHBJZDTYRQBTJW-XIRDDKMYSA-N 0 0 293.451 3.763 10 0 CHAERN COc1c(C)ccc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1C ZINC000250983423 334354303 /nfs/dbraw/zinc/35/43/03/334354303.db2.gz PNKJQXLOYPTGGL-DAXOMENPSA-N 0 0 275.392 3.537 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000152859924 334519909 /nfs/dbraw/zinc/51/99/09/334519909.db2.gz UGFKGTJICPKHBF-VXGBXAGGSA-N 0 0 283.412 3.715 10 0 CHAERN COC(=O)[C@H](N[C@@H](C)c1ccccc1C)c1ccccc1C ZINC000163263961 334769441 /nfs/dbraw/zinc/76/94/41/334769441.db2.gz QGRXFFSQOSLSBQ-MAUKXSAKSA-N 0 0 297.398 3.868 10 0 CHAERN COc1ccc(-c2cncc(C(=O)N[C@@H](C)C(C)C)c2)cc1 ZINC000159179456 334821294 /nfs/dbraw/zinc/82/12/94/334821294.db2.gz IYUBVDFKUUTSQU-ZDUSSCGKSA-N 0 0 298.386 3.532 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ncccc1Cl ZINC000347445969 335379381 /nfs/dbraw/zinc/37/93/81/335379381.db2.gz LOSBMDZTKXSHFK-LBPRGKRZSA-N 0 0 276.767 3.752 10 0 CHAERN CC[C@@H]1CCc2ccccc2N1Cc1nnc(C(C)C)n1C ZINC000178069411 335411472 /nfs/dbraw/zinc/41/14/72/335411472.db2.gz RGYUJZUPKJYWAX-OAHLLOKOSA-N 0 0 298.434 3.670 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)NCc2ccccn2)c2ccccc21 ZINC000178938149 335462657 /nfs/dbraw/zinc/46/26/57/335462657.db2.gz HEQQHHDCUNPWFC-CXAGYDPISA-N 0 0 295.386 3.519 10 0 CHAERN Cc1cc(N[C@@H](C)c2cnccn2)c2cccnc2c1C ZINC000179982871 335537876 /nfs/dbraw/zinc/53/78/76/335537876.db2.gz HOAKDKZAIQCHRG-ZDUSSCGKSA-N 0 0 278.359 3.815 10 0 CHAERN Cc1ccc(N[C@@H]2CCCNc3ccccc32)cn1 ZINC000193099775 335574291 /nfs/dbraw/zinc/57/42/91/335574291.db2.gz LRXGSFNMWNIAEF-MRXNPFEDSA-N 0 0 253.349 3.749 10 0 CHAERN COC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000185439003 335951745 /nfs/dbraw/zinc/95/17/45/335951745.db2.gz UWNIZBMJHCUKGH-JQWIXIFHSA-N 0 0 289.158 3.634 10 0 CHAERN Cc1ccc(SCc2nnc(C(C)C)n2C)cc1C ZINC000194667243 336036653 /nfs/dbraw/zinc/03/66/53/336036653.db2.gz CVHODPCSEVGVTM-UHFFFAOYSA-N 0 0 275.421 3.848 10 0 CHAERN Cc1ccoc1CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000385296196 336143660 /nfs/dbraw/zinc/14/36/60/336143660.db2.gz QZZCAHFSASKGCB-UHFFFAOYSA-N 0 0 278.764 3.885 10 0 CHAERN CCCNc1ncccc1CO[C@@H]1CCCC[C@@H]1C ZINC000052754787 520197115 /nfs/dbraw/zinc/19/71/15/520197115.db2.gz LNOHJNBVRXALKG-DZGCQCFKSA-N 0 0 262.397 3.999 10 0 CHAERN CCC[C@H](O)[C@H](CC)n1cc(-c2ccccc2)cn1 ZINC000054961759 521191459 /nfs/dbraw/zinc/19/14/59/521191459.db2.gz MJKKBWBOKXTOLK-HOTGVXAUSA-N 0 0 258.365 3.662 10 0 CHAERN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C(CC)CC)C1 ZINC000062752178 521212726 /nfs/dbraw/zinc/21/27/26/521212726.db2.gz LRUDUZSCWJVWIF-AEGPPILISA-N 0 0 269.429 3.776 10 0 CHAERN CCCc1nc(N(C)c2ccc(F)cc2)sc1C=O ZINC000054967625 521529173 /nfs/dbraw/zinc/52/91/73/521529173.db2.gz UCAOVLOHMUWYHH-UHFFFAOYSA-N 0 0 278.352 3.815 10 0 CHAERN COC[C@@H](C)C(=O)N(c1ccc(F)cc1Cl)C(C)C ZINC000118220194 522167773 /nfs/dbraw/zinc/16/77/73/522167773.db2.gz HJZDQIAAUBDMKT-SNVBAGLBSA-N 0 0 287.762 3.503 10 0 CHAERN Cc1ccc(-c2nc(C(C)(C)C3CCC3)no2)cn1 ZINC000333262915 534209797 /nfs/dbraw/zinc/20/97/97/534209797.db2.gz UUSJMGZAZRSBQO-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN CC(=O)c1c(F)cccc1OCCc1cccs1 ZINC000049585732 518240500 /nfs/dbraw/zinc/24/05/00/518240500.db2.gz KRCLIMIIXBOOAK-UHFFFAOYSA-N 0 0 264.321 3.711 10 0 CHAERN CC(=O)c1ccc(Sc2nccc(C)n2)c(Cl)c1 ZINC000061696953 518411082 /nfs/dbraw/zinc/41/10/82/518411082.db2.gz PASDIRXLHNZCJR-UHFFFAOYSA-N 0 0 278.764 3.792 10 0 CHAERN CC(C)(C)OC(=O)Nc1cnc(C(C)(C)C)s1 ZINC000299890031 518843146 /nfs/dbraw/zinc/84/31/46/518843146.db2.gz SORNTCZPKNKENQ-UHFFFAOYSA-N 0 0 256.371 3.788 10 0 CHAERN CC(C)(C)OC(=O)Nc1csc(C(C)(C)C)n1 ZINC000299889575 518844058 /nfs/dbraw/zinc/84/40/58/518844058.db2.gz LEPDMGRXZLKEOZ-UHFFFAOYSA-N 0 0 256.371 3.788 10 0 CHAERN CC(C)(C)OCc1ccc(F)c(Br)c1 ZINC000049601134 518883912 /nfs/dbraw/zinc/88/39/12/518883912.db2.gz BPVVLIFTNQJVJG-UHFFFAOYSA-N 0 0 261.134 3.903 10 0 CHAERN CC(C)(C)c1nc(CCc2ccccc2)c(N)s1 ZINC000061624864 519096375 /nfs/dbraw/zinc/09/63/75/519096375.db2.gz YHKQCNTXFHUMGF-UHFFFAOYSA-N 0 0 260.406 3.808 10 0 CHAERN O[C@@H]1CCCC[C@@H]1Nc1ncnc2sc3ccccc3c21 ZINC000333272917 534409854 /nfs/dbraw/zinc/40/98/54/534409854.db2.gz HPCYCPLGSLZUSA-NWDGAFQWSA-N 0 0 299.399 3.560 10 0 CHAERN CC(C)=C(F)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000155082164 519392253 /nfs/dbraw/zinc/39/22/53/519392253.db2.gz GOZFGOSBQAIYPM-CYBMUJFWSA-N 0 0 290.363 3.612 10 0 CHAERN CC(C)C(=O)c1c[nH]c2cc(Br)ccc12 ZINC000050165793 519531530 /nfs/dbraw/zinc/53/15/30/519531530.db2.gz XWRNZLKZYRFJPM-UHFFFAOYSA-N 0 0 266.138 3.769 10 0 CHAERN CC(C)[C@@H]1CCC(=O)[C@H](CCOCC(F)(F)F)C1 ZINC000054630124 519801786 /nfs/dbraw/zinc/80/17/86/519801786.db2.gz DCTUXSDGICSMQM-GHMZBOCLSA-N 0 0 266.303 3.597 10 0 CHAERN CC(C)c1c(NC(=O)N[C@@H]2C[C@@H]2C)cnn1-c1ccccc1 ZINC000192333070 519830866 /nfs/dbraw/zinc/83/08/66/519830866.db2.gz HVQJVCLAQLTCNO-GXTWGEPZSA-N 0 0 298.390 3.526 10 0 CHAERN CC(C)c1ccc(C2(O)Cc3ccccc3C2)cc1 ZINC000055241174 519835388 /nfs/dbraw/zinc/83/53/88/519835388.db2.gz DIDZDYKKGAVZSR-UHFFFAOYSA-N 0 0 252.357 3.796 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)C2CC2)cc1 ZINC000130305444 519840274 /nfs/dbraw/zinc/84/02/74/519840274.db2.gz YLPNGEZWOMPEES-CVEARBPZSA-N 0 0 257.377 3.534 10 0 CHAERN CCC1CCC(NC(=O)c2cc3c(s2)CCOC3)CC1 ZINC000102985300 519855951 /nfs/dbraw/zinc/85/59/51/519855951.db2.gz RBJHTGKITSBIKN-UHFFFAOYSA-N 0 0 293.432 3.519 10 0 CHAERN CC(C)c1nn(C)cc1N[C@H](C)c1cccc(F)c1F ZINC000280912515 519883671 /nfs/dbraw/zinc/88/36/71/519883671.db2.gz QMTJZWSYAUECNE-SNVBAGLBSA-N 0 0 279.334 3.995 10 0 CHAERN CCCC(O)(CCC)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000161704842 519885186 /nfs/dbraw/zinc/88/51/86/519885186.db2.gz OXKQOOTXDAJVOK-CQSZACIVSA-N 0 0 293.407 3.665 10 0 CHAERN CCCC1CCN(c2cccc(F)c2[C@H](C)O)CC1 ZINC000050894094 519904230 /nfs/dbraw/zinc/90/42/30/519904230.db2.gz XBINTDVANDJQQO-LBPRGKRZSA-N 0 0 265.372 3.896 10 0 CHAERN CCCNc1nc(COCC)nc2sc(C)c(C)c21 ZINC000050830485 520187344 /nfs/dbraw/zinc/18/73/44/520187344.db2.gz RLBXOELBTWYNHX-UHFFFAOYSA-N 0 0 279.409 3.667 10 0 CHAERN CCCCCOCc1nc(NCC)ccc1Cl ZINC000061640461 520245961 /nfs/dbraw/zinc/24/59/61/520245961.db2.gz PHSRWNUSIMJERG-UHFFFAOYSA-N 0 0 256.777 3.874 10 0 CHAERN CCNc1cc(C)nc(-c2ccc(Cl)s2)n1 ZINC000050864569 520269332 /nfs/dbraw/zinc/26/93/32/520269332.db2.gz YUAZSCSKJSUHRS-UHFFFAOYSA-N 0 0 253.758 3.599 10 0 CHAERN CCNc1ccc(COc2ccc(CC)cc2)cn1 ZINC000050830798 520304325 /nfs/dbraw/zinc/30/43/25/520304325.db2.gz RRSOSQMQIVXDBH-UHFFFAOYSA-N 0 0 256.349 3.655 10 0 CHAERN CCCOc1ccc([C@@H](O)c2ccc(F)cc2)cc1 ZINC000055262775 520420360 /nfs/dbraw/zinc/42/03/60/520420360.db2.gz JWFDMENLXPWVDI-INIZCTEOSA-N 0 0 260.308 3.696 10 0 CHAERN c1ccc(Cc2nccc(N3CC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000302026992 534491401 /nfs/dbraw/zinc/49/14/01/534491401.db2.gz LIJCCMCPVOAQPJ-DLBZAZTESA-N 0 0 293.414 3.836 10 0 CHAERN CCCOc1ccc([C@H](O)c2ccccc2C)cc1 ZINC000055262924 520430091 /nfs/dbraw/zinc/43/00/91/520430091.db2.gz YQWGKLJULPXBOU-KRWDZBQOSA-N 0 0 256.345 3.866 10 0 CHAERN CCC[C@@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103216340 520610246 /nfs/dbraw/zinc/61/02/46/520610246.db2.gz RTEZYRKEDDHQJS-CYBMUJFWSA-N 0 0 272.392 3.571 10 0 CHAERN c1nc2ccc(-c3noc([C@H]4[C@@H]5CCCC[C@@H]54)n3)cc2[nH]1 ZINC000333174237 534536396 /nfs/dbraw/zinc/53/63/96/534536396.db2.gz LBSVNWXHUGDXRE-YABSGUDNSA-N 0 0 280.331 3.517 10 0 CHAERN CCC[C@H]1CC[C@H](O)[C@H](Oc2cccc(F)c2F)C1 ZINC000062652655 521212972 /nfs/dbraw/zinc/21/29/72/521212972.db2.gz BKJQJAUEOLVAHQ-VHRBIJSZSA-N 0 0 270.319 3.673 10 0 CHAERN O=C([O-])c1cccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000216549677 534547525 /nfs/dbraw/zinc/54/75/25/534547525.db2.gz FTMIYRSNYISNLJ-GDBMZVCRSA-N 0 0 273.376 3.539 10 0 CHAERN CCOc1ccc([C@](C)(O)[C@@H](C)CC)cc1OCC ZINC000055192786 521278315 /nfs/dbraw/zinc/27/83/15/521278315.db2.gz ANZQCBZHYACKRW-BLLLJJGKSA-N 0 0 266.381 3.738 10 0 CHAERN CCC[C@](C)([NH2+][C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000049514425 521286178 /nfs/dbraw/zinc/28/61/78/521286178.db2.gz LBVCWYLZVLJSIR-YGRLFVJLSA-N 0 0 269.772 3.634 10 0 CHAERN CCCCc1[nH]nc(N)c1-c1ccc(F)cc1Cl ZINC000062609529 521291110 /nfs/dbraw/zinc/29/11/10/521291110.db2.gz GLCDUTNQOCBTRZ-UHFFFAOYSA-N 0 0 267.735 3.794 10 0 CHAERN CCCCc1nc(Cl)c(CNc2ccccc2CO)[nH]1 ZINC000088398954 521305167 /nfs/dbraw/zinc/30/51/67/521305167.db2.gz MYNYBRANDFCPLL-UHFFFAOYSA-N 0 0 293.798 3.510 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@H](C)c1cc(C)oc1C ZINC000121123013 521378581 /nfs/dbraw/zinc/37/85/81/521378581.db2.gz ASYVSKBQPJKSTQ-LLVKDONJSA-N 0 0 266.385 3.835 10 0 CHAERN CCC(CC)(c1ccccc1)[C@@H](O)CCCOC ZINC000062783548 521479987 /nfs/dbraw/zinc/47/99/87/521479987.db2.gz LTLMOVBQUHIUBK-HNNXBMFYSA-N 0 0 250.382 3.532 10 0 CHAERN CCCc1nc2cc(C)cc(Br)c2o1 ZINC000062536912 521541244 /nfs/dbraw/zinc/54/12/44/521541244.db2.gz UHWLQEHAZZFCOM-UHFFFAOYSA-N 0 0 254.127 3.851 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](C)c1cc(C)sc1C ZINC000049509959 521569560 /nfs/dbraw/zinc/56/95/60/521569560.db2.gz JREIEWWWFLMGIG-SECBINFHSA-N 0 0 281.450 3.807 10 0 CHAERN CCCc1noc(CN2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000130939482 521582859 /nfs/dbraw/zinc/58/28/59/521582859.db2.gz XACTUSKPWMLXCQ-CYBMUJFWSA-N 0 0 289.379 3.651 10 0 CHAERN CCOc1nc(Cl)nc(S[C@H]2CCC[C@@H](C)C2)n1 ZINC000061517660 521605751 /nfs/dbraw/zinc/60/57/51/521605751.db2.gz YZJZHKQLADWZGA-BDAKNGLRSA-N 0 0 287.816 3.595 10 0 CHAERN CCC(CC)[C@@H]1CCN(c2cc(Cl)nc(C)n2)C1 ZINC000301334072 521610245 /nfs/dbraw/zinc/61/02/45/521610245.db2.gz BMKKYXHMUYWVEQ-GFCCVEGCSA-N 0 0 267.804 3.701 10 0 CHAERN CC[C@H](C)[C@@H](C)Nc1cc(Cl)ccc1C(N)=S ZINC000062788231 521827376 /nfs/dbraw/zinc/82/73/76/521827376.db2.gz JPFOIKCFLNERHH-DTWKUNHWSA-N 0 0 270.829 3.821 10 0 CHAERN CN(C)c1ccc(Cl)cc1N[C@H]1CCCSC1 ZINC000061587794 522216713 /nfs/dbraw/zinc/21/67/13/522216713.db2.gz COBDFWUGSSSZIL-NSHDSACASA-N 0 0 270.829 3.714 10 0 CHAERN CC[C@@H](C)[C@@H](C)Nc1cc(Cl)ccc1C(N)=S ZINC000062788230 522297641 /nfs/dbraw/zinc/29/76/41/522297641.db2.gz JPFOIKCFLNERHH-RKDXNWHRSA-N 0 0 270.829 3.821 10 0 CHAERN CCc1nc(N(C)C2CCC(C)CC2)sc1C=O ZINC000054967788 522377630 /nfs/dbraw/zinc/37/76/30/522377630.db2.gz ZYSUWLPIDYJVOX-UHFFFAOYSA-N 0 0 266.410 3.533 10 0 CHAERN CNc1cc(COc2ccccc2C(C)C)ccn1 ZINC000052754609 522568349 /nfs/dbraw/zinc/56/83/49/522568349.db2.gz YPGFKJUJHNEWIG-UHFFFAOYSA-N 0 0 256.349 3.826 10 0 CHAERN COc1cc(F)ccc1N[C@H](C)c1scnc1C ZINC000049564328 522617457 /nfs/dbraw/zinc/61/74/57/522617457.db2.gz BPBGUFAJSCMIHP-SECBINFHSA-N 0 0 266.341 3.772 10 0 CHAERN CNc1nc(-c2cccc(F)c2)nc2sccc21 ZINC000050841363 522676959 /nfs/dbraw/zinc/67/69/59/522676959.db2.gz UPARQSCJCZOLDK-UHFFFAOYSA-N 0 0 259.309 3.539 10 0 CHAERN CC[C@@H](NC(=O)c1sccc1Br)C(C)C ZINC000057414199 522803954 /nfs/dbraw/zinc/80/39/54/522803954.db2.gz RUMCEAIPFUOSHP-SECBINFHSA-N 0 0 290.226 3.675 10 0 CHAERN Cc1cncc(-c2nc(C(C)(C)C3CCC3)no2)c1 ZINC000333070807 534667850 /nfs/dbraw/zinc/66/78/50/534667850.db2.gz GMYDTKLVWMVSCP-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN COc1cc([C@H](C)O)ccc1OCCC(C)(C)C ZINC000049255152 522949544 /nfs/dbraw/zinc/94/95/44/522949544.db2.gz WXYBKKKYGKICAQ-NSHDSACASA-N 0 0 252.354 3.564 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1cc(C)nc(Cl)n1 ZINC000052813857 523050730 /nfs/dbraw/zinc/05/07/30/523050730.db2.gz FJODYUXAZJIPFM-QWRGUYRKSA-N 0 0 254.761 3.786 10 0 CHAERN CC[C@@H](Sc1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000110715083 523082482 /nfs/dbraw/zinc/08/24/82/523082482.db2.gz JFFKVQZKDBGFDF-GXTWGEPZSA-N 0 0 295.473 3.521 10 0 CHAERN CC[C@H]1CCCN(c2ccc(Cl)cc2C(N)=S)C1 ZINC000052858363 523094870 /nfs/dbraw/zinc/09/48/70/523094870.db2.gz LXRBLIUXXNYBCF-JTQLQIEISA-N 0 0 282.840 3.601 10 0 CHAERN COc1ccc(-c2nc(C)c(C(C)=O)s2)cc1C ZINC000050597279 523192335 /nfs/dbraw/zinc/19/23/35/523192335.db2.gz XFUOXOKVAZCVPS-UHFFFAOYSA-N 0 0 261.346 3.638 10 0 CHAERN CN(Cc1ccccc1)c1cccc(Cl)c1C(N)=S ZINC000052903930 523355528 /nfs/dbraw/zinc/35/55/28/523355528.db2.gz RYMBTVNNKSAYIS-UHFFFAOYSA-N 0 0 290.819 3.611 10 0 CHAERN CC[C@](O)(c1ccccc1)c1cc(Cl)ccc1OC ZINC000055192245 523532578 /nfs/dbraw/zinc/53/25/78/523532578.db2.gz IQFXQYWZZPVIKP-INIZCTEOSA-N 0 0 276.763 3.995 10 0 CHAERN CCc1c(C)nc2c(F)c(F)c(F)cc2c1NC ZINC000050870698 523713467 /nfs/dbraw/zinc/71/34/67/523713467.db2.gz BETYHUGYPWLYBZ-UHFFFAOYSA-N 0 0 254.255 3.565 10 0 CHAERN CCc1cc(N)nc(Cc2ccc(Cl)cc2Cl)n1 ZINC000050846242 523789889 /nfs/dbraw/zinc/78/98/89/523789889.db2.gz ZWPSZQNTXQGFLV-UHFFFAOYSA-N 0 0 282.174 3.519 10 0 CHAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(CCO)cc1 ZINC000040738143 523859733 /nfs/dbraw/zinc/85/97/33/523859733.db2.gz KCRLKSULIVGFRI-AWEZNQCLSA-N 0 0 285.387 3.712 10 0 CHAERN COc1ccc(C)cc1[C@](C)(O)c1cccc(Cl)c1 ZINC000055261363 523860154 /nfs/dbraw/zinc/86/01/54/523860154.db2.gz OOVOVBXPQCNTPC-MRXNPFEDSA-N 0 0 276.763 3.913 10 0 CHAERN CCc1ccc(NC(=O)C=C(C)C)c(Br)c1 ZINC000065000237 523970845 /nfs/dbraw/zinc/97/08/45/523970845.db2.gz LHIBILIQKVIPEF-UHFFFAOYSA-N 0 0 282.181 3.916 10 0 CHAERN C[C@@H]1CCCC[C@]1(O)Cc1c(F)cccc1Cl ZINC000049346185 524180248 /nfs/dbraw/zinc/18/02/48/524180248.db2.gz PWWOCSZPQDOCAS-YGRLFVJLSA-N 0 0 256.748 3.963 10 0 CHAERN COc1ccc(Cl)cc1C[C@H](C(C)=O)C(C)C ZINC000061687955 524213755 /nfs/dbraw/zinc/21/37/55/524213755.db2.gz XYQDRSHRQLKLJX-ZDUSSCGKSA-N 0 0 254.757 3.752 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H](C)c1cn(C)nc1C ZINC000087406578 524246280 /nfs/dbraw/zinc/24/62/80/524246280.db2.gz NXJDMCUHAVOHAC-VIFPVBQESA-N 0 0 279.771 3.564 10 0 CHAERN C[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000156201755 524264945 /nfs/dbraw/zinc/26/49/45/524264945.db2.gz IXTDKOMENVRFJV-MGPQQGTHSA-N 0 0 261.365 3.769 10 0 CHAERN C[C@@H]1CCC[C@@H](SCCOc2cccc(N)c2)C1 ZINC000054689489 524319815 /nfs/dbraw/zinc/31/98/15/524319815.db2.gz OPFPFEWTACBNGL-IUODEOHRSA-N 0 0 265.422 3.960 10 0 CHAERN C[C@@H]1CCC[C@@](O)(c2ccccc2OC(F)(F)F)C1 ZINC000055189803 524340930 /nfs/dbraw/zinc/34/09/30/524340930.db2.gz GSZKTGCQKLPTCA-MFKMUULPSA-N 0 0 274.282 3.983 10 0 CHAERN Cc1cc(C)c2c(c1)NC[C@@H](c1ccc(F)cc1)O2 ZINC000062538004 524346160 /nfs/dbraw/zinc/34/61/60/524346160.db2.gz XGCFKHDQZWOWBC-HNNXBMFYSA-N 0 0 257.308 3.988 10 0 CHAERN Cc1ccc(CC[C@H](O)Cc2ccccc2F)cc1 ZINC000062141641 524349298 /nfs/dbraw/zinc/34/92/98/524349298.db2.gz BUDMZZIISJYJTE-INIZCTEOSA-N 0 0 258.336 3.670 10 0 CHAERN COc1ccccc1CC1(O)CCC(C(C)C)CC1 ZINC000054557269 524389903 /nfs/dbraw/zinc/38/99/03/524389903.db2.gz ORORKJVAQZETBC-UHFFFAOYSA-N 0 0 262.393 3.815 10 0 CHAERN Cc1cccc(COc2cc(F)ccc2[C@@H](C)O)c1 ZINC000062749398 524446064 /nfs/dbraw/zinc/44/60/64/524446064.db2.gz AUZNMGMVGJSPCI-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN Cc1cccc(C[S@@](=O)Cc2cc(N)ccc2Cl)c1 ZINC000054966153 524470781 /nfs/dbraw/zinc/47/07/81/524470781.db2.gz CMIMJGIQMHLXBT-IBGZPJMESA-N 0 0 293.819 3.680 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)O1 ZINC000151486498 524627286 /nfs/dbraw/zinc/62/72/86/524627286.db2.gz JWNDGQDBOZMDTQ-FSPWUOQZSA-N 0 0 299.414 3.623 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@@H]1CCCC1(C)C ZINC000094305808 524671876 /nfs/dbraw/zinc/67/18/76/524671876.db2.gz SQAVLICUSUEIFW-OAHLLOKOSA-N 0 0 276.380 3.644 10 0 CHAERN Cc1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000156981890 524694758 /nfs/dbraw/zinc/69/47/58/524694758.db2.gz RYUYABDHZKVENL-GHMZBOCLSA-N 0 0 258.287 3.923 10 0 CHAERN Cc1cc(CN[C@@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000044692475 524766455 /nfs/dbraw/zinc/76/64/55/524766455.db2.gz QRKGLFVTIVBJEA-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Cc1cc(CO)ccc1N1CCc2sccc2[C@@H]1C ZINC000050561314 524793954 /nfs/dbraw/zinc/79/39/54/524793954.db2.gz WNAFZFAHFSBFGS-LBPRGKRZSA-N 0 0 273.401 3.673 10 0 CHAERN Cc1ccc(F)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1 ZINC000117567525 524824731 /nfs/dbraw/zinc/82/47/31/524824731.db2.gz HLNWCAMTZGNPNY-BDJLRTHQSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(F)cc1CSCc1nnc(C(C)C)n1C ZINC000187511996 524854803 /nfs/dbraw/zinc/85/48/03/524854803.db2.gz HUSJZOGXMYWTOR-UHFFFAOYSA-N 0 0 293.411 3.819 10 0 CHAERN Cc1cc(Cl)ccc1OCc1nc(N)ccc1Cl ZINC000061640133 524905921 /nfs/dbraw/zinc/90/59/21/524905921.db2.gz RPOIMOAFUHZRRM-UHFFFAOYSA-N 0 0 283.158 3.858 10 0 CHAERN C[C@@H](Cc1cccs1)N(C)c1ccnc(Cl)c1 ZINC000227062771 524929752 /nfs/dbraw/zinc/92/97/52/524929752.db2.gz FUJIWSJJRUBHNS-JTQLQIEISA-N 0 0 266.797 3.864 10 0 CHAERN Cc1ccc(N2CCC[C@@H]2c2ccccc2)cc1N ZINC000061701344 524955363 /nfs/dbraw/zinc/95/53/63/524955363.db2.gz AFKXVVKKSNLJMN-QGZVFWFLSA-N 0 0 252.361 3.919 10 0 CHAERN Cc1cc(F)ccc1[C@@]1(O)CCc2ccccc2C1 ZINC000055192222 525005273 /nfs/dbraw/zinc/00/52/73/525005273.db2.gz DKKJYHMMAMCLKF-QGZVFWFLSA-N 0 0 256.320 3.511 10 0 CHAERN Cc1cc(I)ccc1-c1cccnc1 ZINC000047213977 525011454 /nfs/dbraw/zinc/01/14/54/525011454.db2.gz QHEAKFUGWMXTGU-UHFFFAOYSA-N 0 0 295.123 3.662 10 0 CHAERN Cc1cc(N2CCC[C@@H]3CCCC[C@@H]32)ccc1C=O ZINC000050569504 525067984 /nfs/dbraw/zinc/06/79/84/525067984.db2.gz CXTGXEXTEHGKQL-YOEHRIQHSA-N 0 0 257.377 3.967 10 0 CHAERN C[C@@H](NC(=O)CCCCCc1cccs1)[C@H]1CCCO1 ZINC000067135989 525085711 /nfs/dbraw/zinc/08/57/11/525085711.db2.gz AYDKARGGXJQVKK-UKRRQHHQSA-N 0 0 295.448 3.535 10 0 CHAERN Cc1ccccc1[C@@H](C)Nc1ccccc1S(C)(=O)=O ZINC000035052274 525361002 /nfs/dbraw/zinc/36/10/02/525361002.db2.gz NELNLCAKCYJDGZ-CYBMUJFWSA-N 0 0 289.400 3.572 10 0 CHAERN Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)c(C)s1 ZINC000047685398 525453565 /nfs/dbraw/zinc/45/35/65/525453565.db2.gz BFMIKRSPJXWMTI-WDEREUQCSA-N 0 0 268.426 3.770 10 0 CHAERN Cc1ccc(Oc2ncc(N)cc2C)c(Br)c1 ZINC000052813690 525479364 /nfs/dbraw/zinc/47/93/64/525479364.db2.gz HEPXVPYEDVPQID-UHFFFAOYSA-N 0 0 293.164 3.835 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000190599109 525556751 /nfs/dbraw/zinc/55/67/51/525556751.db2.gz NMVKMKMJBIQHAC-WPRPVWTQSA-N 0 0 288.174 3.747 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ncc[nH]1 ZINC000138912435 525607435 /nfs/dbraw/zinc/60/74/35/525607435.db2.gz ZKCUXHVSWCTGET-DTWKUNHWSA-N 0 0 267.735 3.614 10 0 CHAERN C[C@@H]1[C@@H](C)CCCN1CC(=O)c1ccc(Cl)cc1 ZINC000050565844 525639642 /nfs/dbraw/zinc/63/96/42/525639642.db2.gz HNOMKXBDPMLVRP-NWDGAFQWSA-N 0 0 265.784 3.643 10 0 CHAERN C[C@@H](Nc1ccc(Cl)cc1C(N)=S)c1cccnc1 ZINC000052858234 525704217 /nfs/dbraw/zinc/70/42/17/525704217.db2.gz GLZBHQBWPHJRDV-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN C[C@@H](Nc1ncnc(N)c1Cl)c1ccc(Cl)s1 ZINC000235221031 525732675 /nfs/dbraw/zinc/73/26/75/525732675.db2.gz JNVIKTSRFZWOMW-RXMQYKEDSA-N 0 0 289.191 3.600 10 0 CHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2nc3ccccc3n2C)o1 ZINC000036960059 525740868 /nfs/dbraw/zinc/74/08/68/525740868.db2.gz MXKNQMICFDXBML-OLZOCXBDSA-N 0 0 283.375 3.887 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccncc2)o1 ZINC000129183161 525797404 /nfs/dbraw/zinc/79/74/04/525797404.db2.gz CAWRNSYJRFVUSJ-INIZCTEOSA-N 0 0 298.386 3.669 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC2(C)C)o1 ZINC000125130758 525802890 /nfs/dbraw/zinc/80/28/90/525802890.db2.gz OJCCKSPBZVKDBT-OLZOCXBDSA-N 0 0 261.365 3.688 10 0 CHAERN Cc1ccc(-c2n[nH]c(C3CCCCC3)n2)c(C)n1 ZINC000055331003 525804820 /nfs/dbraw/zinc/80/48/20/525804820.db2.gz QEVGFTFJLLXFAC-UHFFFAOYSA-N 0 0 256.353 3.531 10 0 CHAERN Cc1ccsc1-c1nc(N)cc(-c2ccccc2)n1 ZINC000050866238 525812671 /nfs/dbraw/zinc/81/26/71/525812671.db2.gz WFJABYSXNZGWCR-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN C[C@H](O)c1ccc(F)cc1OCc1cccs1 ZINC000062749268 525856337 /nfs/dbraw/zinc/85/63/37/525856337.db2.gz CLEOHERBPCIDLD-VIFPVBQESA-N 0 0 252.310 3.520 10 0 CHAERN Cc1cc(-c2nc(C)c(C(C)C)c(N)n2)ccc1F ZINC000061687302 526052350 /nfs/dbraw/zinc/05/23/50/526052350.db2.gz BHXKTVAPUOULCS-UHFFFAOYSA-N 0 0 259.328 3.605 10 0 CHAERN C[C@@H](c1ccc(F)cc1)n1c(C2CC2)n[nH]c1=S ZINC000049509925 526058116 /nfs/dbraw/zinc/05/81/16/526058116.db2.gz IRLSXKZPOQUOKD-QMMMGPOBSA-N 0 0 263.341 3.566 10 0 CHAERN Cc1cc(C(=O)Cc2cc(F)cc(F)c2)ccc1F ZINC000055199942 526216315 /nfs/dbraw/zinc/21/63/15/526216315.db2.gz NZNZKSSCOFVLFU-UHFFFAOYSA-N 0 0 264.246 3.838 10 0 CHAERN Cc1ccc(C(=O)Nc2c(N)cccc2Cl)c(C)c1 ZINC000050352395 526216440 /nfs/dbraw/zinc/21/64/40/526216440.db2.gz UVAKZJXYRUWSHC-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN COc1cccc(Oc2ccc(C(N)=S)cc2Cl)c1 ZINC000062796408 526241532 /nfs/dbraw/zinc/24/15/32/526241532.db2.gz PEMQPILULDASDK-UHFFFAOYSA-N 0 0 293.775 3.775 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2ccc(F)cc2)c1 ZINC000051596454 526254757 /nfs/dbraw/zinc/25/47/57/526254757.db2.gz PHELDMYULPTZCR-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1ccc(C(N)=S)cc1Cl ZINC000062795151 526258714 /nfs/dbraw/zinc/25/87/14/526258714.db2.gz CKGAWGIORFXAAO-CABZTGNLSA-N 0 0 282.840 3.965 10 0 CHAERN O[C@H](Cc1ccc(Cl)cc1)c1c(F)cccc1F ZINC000062140577 526296227 /nfs/dbraw/zinc/29/62/27/526296227.db2.gz NZYBNDGQVGBDFK-CYBMUJFWSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1cccc2ccccc21)CC(F)(F)F ZINC000053785782 526296411 /nfs/dbraw/zinc/29/64/11/526296411.db2.gz LIADNZGGFMTFHC-GFCCVEGCSA-N 0 0 254.251 3.696 10 0 CHAERN Cc1csc(C[C@H](O)c2ccc3ccccc3c2)n1 ZINC000055266894 526366642 /nfs/dbraw/zinc/36/66/42/526366642.db2.gz CRDPQWNOMCFLBT-HNNXBMFYSA-N 0 0 269.369 3.881 10 0 CHAERN c1ccc2oc(N[C@H]3CCOc4ccccc43)nc2c1 ZINC000042848007 526521041 /nfs/dbraw/zinc/52/10/41/526521041.db2.gz APMDTNABBFVYPB-LBPRGKRZSA-N 0 0 266.300 3.764 10 0 CHAERN Cc1nc(-c2cc3ccccc3o2)sc1[C@@H](C)O ZINC000062798041 526563618 /nfs/dbraw/zinc/56/36/18/526563618.db2.gz ZCLVYHXOKAGBLO-SECBINFHSA-N 0 0 259.330 3.918 10 0 CHAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)c(N)s1 ZINC000050308065 526564783 /nfs/dbraw/zinc/56/47/83/526564783.db2.gz WMPCIHHADVMICW-UHFFFAOYSA-N 0 0 258.268 3.720 10 0 CHAERN O=C(c1ccc(Cl)nc1Cl)N1CC[C@H]2CCCC[C@H]21 ZINC000236067575 526682214 /nfs/dbraw/zinc/68/22/14/526682214.db2.gz XKNWXGKIIKBUNS-MWLCHTKSSA-N 0 0 299.201 3.793 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000081288425 526700705 /nfs/dbraw/zinc/70/07/05/526700705.db2.gz VYVHWPHLEMFYGL-ZETCQYMHSA-N 0 0 296.729 3.575 10 0 CHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc[nH]1 ZINC000129955346 526880618 /nfs/dbraw/zinc/88/06/18/526880618.db2.gz WWTFAHQQZWRYQV-OAHLLOKOSA-N 0 0 296.370 3.581 10 0 CHAERN O=C(c1cncc(F)c1)[C@H]1CCCc2ccccc21 ZINC000063157241 526881736 /nfs/dbraw/zinc/88/17/36/526881736.db2.gz RINUETHNOHTUPX-HNNXBMFYSA-N 0 0 255.292 3.524 10 0 CHAERN Clc1ccc(NCCCn2ccnc2)c(Cl)c1 ZINC000049327631 526956714 /nfs/dbraw/zinc/95/67/14/526956714.db2.gz LLEFILQQMAXARL-UHFFFAOYSA-N 0 0 270.163 3.692 10 0 CHAERN O=C1CCCCCCN1Cc1ccc(Br)cc1 ZINC000049600485 526969461 /nfs/dbraw/zinc/96/94/61/526969461.db2.gz HNPPQFHXIKRMQF-UHFFFAOYSA-N 0 0 296.208 3.742 10 0 CHAERN O=C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Cl)c(F)c1 ZINC000054601222 527034193 /nfs/dbraw/zinc/03/41/93/527034193.db2.gz YWISUEQRVYQJMH-AOOOYVTPSA-N 0 0 267.731 3.570 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCC2(C)C)cs1 ZINC000275120140 527050124 /nfs/dbraw/zinc/05/01/24/527050124.db2.gz YJFIZPLKUHGBCR-JSGCOSHPSA-N 0 0 292.448 3.941 10 0 CHAERN NC(=S)c1c(Cl)cccc1NCc1ccccc1F ZINC000052904115 527113466 /nfs/dbraw/zinc/11/34/66/527113466.db2.gz PVVCHUWJOZPXKD-UHFFFAOYSA-N 0 0 294.782 3.725 10 0 CHAERN NC(=S)c1ccc(Cl)cc1Oc1ccccc1 ZINC000062788666 527119308 /nfs/dbraw/zinc/11/93/08/527119308.db2.gz LBTLOHKKMKFYIU-UHFFFAOYSA-N 0 0 263.749 3.767 10 0 CHAERN Cc1nc2ccccc2nc1N[C@@H](C)c1ccco1 ZINC000044782153 527174245 /nfs/dbraw/zinc/17/42/45/527174245.db2.gz SADHPDCGGXSDPS-JTQLQIEISA-N 0 0 253.305 3.704 10 0 CHAERN O=C(Cc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000053146973 527299017 /nfs/dbraw/zinc/29/90/17/527299017.db2.gz ZUNKSQDVRIFMOW-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN CC(C)(c1noc(-c2snnc2C2CC2)n1)C1CCC1 ZINC000333226937 527382003 /nfs/dbraw/zinc/38/20/03/527382003.db2.gz NGUQXGTUJICNQM-UHFFFAOYSA-N 0 0 290.392 3.543 10 0 CHAERN Cc1nccn1CCNc1ccc(Cl)cc1Cl ZINC000049329758 527432899 /nfs/dbraw/zinc/43/28/99/527432899.db2.gz FYUDPHQJZWUPEK-UHFFFAOYSA-N 0 0 270.163 3.610 10 0 CHAERN Cc1nccn1CCNc1cccc(Cl)c1Cl ZINC000049329983 527433355 /nfs/dbraw/zinc/43/33/55/527433355.db2.gz JWWXWMXZSDXEGF-UHFFFAOYSA-N 0 0 270.163 3.610 10 0 CHAERN Nc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1Cl ZINC000052944102 527457530 /nfs/dbraw/zinc/45/75/30/527457530.db2.gz PSMMLAWNYZYAPK-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN Cc1ncsc1[C@H](C)Nc1ccccc1[C@@H](C)O ZINC000049543109 527517938 /nfs/dbraw/zinc/51/79/38/527517938.db2.gz LKWNADKNAILCCO-WDEREUQCSA-N 0 0 262.378 3.678 10 0 CHAERN Nc1nc(-c2c[nH]c3cc(Br)ccc32)cs1 ZINC000050165965 527539802 /nfs/dbraw/zinc/53/98/02/527539802.db2.gz DOQNYAAGXOGJAF-UHFFFAOYSA-N 0 0 294.177 3.636 10 0 CHAERN O[C@@H](COc1ccccc1)c1cc2ccccc2o1 ZINC000055352189 527662230 /nfs/dbraw/zinc/66/22/30/527662230.db2.gz MMJJXEMNUPTQBT-AWEZNQCLSA-N 0 0 254.285 3.545 10 0 CHAERN O[C@@H](Cc1ccccn1)Cc1c(Cl)cccc1Cl ZINC000053784028 527665358 /nfs/dbraw/zinc/66/53/58/527665358.db2.gz XEGJJHOQOYLBBF-NSHDSACASA-N 0 0 282.170 3.535 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052900148 527665404 /nfs/dbraw/zinc/66/54/04/527665404.db2.gz VZDJILKHWPUBOT-GFCCVEGCSA-N 0 0 252.766 3.548 10 0 CHAERN O[C@@H](c1nc(-c2cccs2)cs1)c1ccccc1 ZINC000061895707 527667962 /nfs/dbraw/zinc/66/79/62/527667962.db2.gz YTIJVXMJSRNSHG-CYBMUJFWSA-N 0 0 273.382 3.953 10 0 CHAERN CCCCC[C@H](C)NC(=O)/C=C\c1ccc(F)cc1 ZINC000096508045 528268747 /nfs/dbraw/zinc/26/87/47/528268747.db2.gz BZLDZXXRIGMWTB-SUIFULHWSA-N 0 0 263.356 3.924 10 0 CHAERN CC(C)c1noc(NCCc2ccc(Cl)s2)n1 ZINC000301353582 528506519 /nfs/dbraw/zinc/50/65/19/528506519.db2.gz XEOHHYSYVVOXTR-UHFFFAOYSA-N 0 0 271.773 3.563 10 0 CHAERN CC(C)N1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000712091966 567837261 /nfs/dbraw/zinc/83/72/61/567837261.db2.gz ORTCVAKSYHBFDF-UHFFFAOYSA-N 0 0 251.414 3.645 10 0 CHAERN CCOC(=O)[C@@H]1OC12CCCCCCCCCCC2 ZINC000089556411 570370622 /nfs/dbraw/zinc/37/06/22/570370622.db2.gz PLBPYNBXUCNYBQ-AWEZNQCLSA-N 0 0 268.397 3.992 10 0 CHAERN COC(OC)[C@H](C)Sc1ccccc1Br ZINC000616572070 570408904 /nfs/dbraw/zinc/40/89/04/570408904.db2.gz JHSUOCGEBFBKIM-QMMMGPOBSA-N 0 0 291.210 3.549 10 0 CHAERN CCCNC(=O)c1c(C)cc(C)n1Cc1cccc(C)c1 ZINC000004356081 566846690 /nfs/dbraw/zinc/84/66/90/566846690.db2.gz JDWOFUWKLCVNQR-UHFFFAOYSA-N 0 0 284.403 3.601 10 0 CHAERN Cc1cc(C)c2cc(Br)c(C)cc2n1 ZINC000669372201 566949326 /nfs/dbraw/zinc/94/93/26/566949326.db2.gz HRWBVYULIYJOIQ-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN CCC(C)(C)C1CCC([C@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059836 567022723 /nfs/dbraw/zinc/02/27/23/567022723.db2.gz NUHPUIYNRHZKRE-OOJKYFRXSA-N 0 0 281.440 3.682 10 0 CHAERN CCC(CC)N=[S@](=O)(c1cccc(N)c1)N(C)C(C)C ZINC000675075195 567024468 /nfs/dbraw/zinc/02/44/68/567024468.db2.gz MNUGVZAJKMPNFV-HXUWFJFHSA-N 0 0 297.468 3.540 10 0 CHAERN Fc1cccc(F)c1-c1nc(Br)cs1 ZINC000086292168 567032542 /nfs/dbraw/zinc/03/25/42/567032542.db2.gz RIHWKARTDRLCMQ-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN CCN(C)C(=O)c1cc2sccc2n1Cc1ccccc1 ZINC000037587521 567068005 /nfs/dbraw/zinc/06/80/05/567068005.db2.gz HXJSCIDUCWJLSP-UHFFFAOYSA-N 0 0 298.411 3.843 10 0 CHAERN CCNc1nc(C)cc(Sc2ccc(C)cc2)n1 ZINC000058825807 567217594 /nfs/dbraw/zinc/21/75/94/567217594.db2.gz MSXWGXNAQBMBOO-UHFFFAOYSA-N 0 0 259.378 3.676 10 0 CHAERN CC(=O)c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000058826099 567217776 /nfs/dbraw/zinc/21/77/76/567217776.db2.gz POWCSJAXNSKDFV-SNVBAGLBSA-N 0 0 251.757 3.921 10 0 CHAERN CCO[P@@](=O)(Cc1ccccc1)c1ccccc1 ZINC000003159946 567851786 /nfs/dbraw/zinc/85/17/86/567851786.db2.gz KTRAQBGVAPZWBC-SFHVURJKSA-N 0 0 260.273 3.827 10 0 CHAERN C[C@@H](NCC(F)(F)F)c1ccccc1Br ZINC000019486527 567877850 /nfs/dbraw/zinc/87/78/50/567877850.db2.gz WLEPKLIVEDMNPF-SSDOTTSWSA-N 0 0 282.103 3.662 10 0 CHAERN O=C1C(=O)N(C/C=C/c2ccccc2)c2ccc(Cl)cc21 ZINC000019966934 567879918 /nfs/dbraw/zinc/87/99/18/567879918.db2.gz JZTZWMZBZSMQNT-QPJJXVBHSA-N 0 0 297.741 3.583 10 0 CHAERN C[C@@H](NC(=O)c1ccc(F)cc1)C1C(C)(C)C1(C)C ZINC000032105418 567885402 /nfs/dbraw/zinc/88/54/02/567885402.db2.gz UHNSDEQDTYLKBB-SNVBAGLBSA-N 0 0 263.356 3.626 10 0 CHAERN O=C1CCC[C@H]1Sc1ccccc1Br ZINC000035046881 567893818 /nfs/dbraw/zinc/89/38/18/567893818.db2.gz IZXOQFFSFIRWFZ-LLVKDONJSA-N 0 0 271.179 3.663 10 0 CHAERN CCc1c(C)cc2nc(C(C)(C)CC)nn2c1Cl ZINC000725246200 567908138 /nfs/dbraw/zinc/90/81/38/567908138.db2.gz LYBPGSMGZJISFZ-UHFFFAOYSA-N 0 0 265.788 3.941 10 0 CHAERN CC(C)n1cncc1-c1ccc(OC(F)F)c(F)c1 ZINC000725245674 567908306 /nfs/dbraw/zinc/90/83/06/567908306.db2.gz LBUUKBVYMBKYEQ-UHFFFAOYSA-N 0 0 270.254 3.872 10 0 CHAERN CC(C)(C)c1ccc(-n2ccc(Br)n2)cc1 ZINC000725246973 567908433 /nfs/dbraw/zinc/90/84/33/567908433.db2.gz BZJKNPWPKGZGKF-UHFFFAOYSA-N 0 0 279.181 3.932 10 0 CHAERN CCCc1cc2nc(CC(C)(C)C)nn2c(Cl)c1 ZINC000725246760 567908494 /nfs/dbraw/zinc/90/84/94/567908494.db2.gz VYONXLGSELEXIK-UHFFFAOYSA-N 0 0 265.788 3.924 10 0 CHAERN CCc1cc2nc(C[C@@H](C)CC)nn2c(Cl)c1 ZINC000725246508 567908574 /nfs/dbraw/zinc/90/85/74/567908574.db2.gz OJCINMHMGSCECO-VIFPVBQESA-N 0 0 251.761 3.534 10 0 CHAERN C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)c2cc(F)ccc2N1 ZINC000725253970 567912412 /nfs/dbraw/zinc/91/24/12/567912412.db2.gz VWQSZMRWTFKGDB-GHMZBOCLSA-N 0 0 279.355 3.845 10 0 CHAERN Brc1ccc(-c2n[nH]c3c2CCCC3)cc1 ZINC000222282105 567914839 /nfs/dbraw/zinc/91/48/39/567914839.db2.gz KLSXBEJIEBAJEJ-UHFFFAOYSA-N 0 0 277.165 3.718 10 0 CHAERN Brc1nc(CCCc2ccccc2)co1 ZINC000725255459 567915115 /nfs/dbraw/zinc/91/51/15/567915115.db2.gz BYODWOHOCKEJKV-UHFFFAOYSA-N 0 0 266.138 3.612 10 0 CHAERN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccccc1 ZINC000103274000 567915650 /nfs/dbraw/zinc/91/56/50/567915650.db2.gz XHCQXIKVYLJZLB-CQSZACIVSA-N 0 0 291.391 3.953 10 0 CHAERN S=C1N=NC(C2CCCCC2)N1C1CCCC1 ZINC000725265051 567923375 /nfs/dbraw/zinc/92/33/75/567923375.db2.gz ZWUJAYWMVLIMLC-UHFFFAOYSA-N 0 0 251.399 3.730 10 0 CHAERN CC(C)(C)c1ccc2c(c1)C[C@@H](O)[C@@H](C(C)(C)C)N2 ZINC000725268439 567923967 /nfs/dbraw/zinc/92/39/67/567923967.db2.gz QVLYQFMVGKHRDU-CABCVRRESA-N 0 0 261.409 3.728 10 0 CHAERN CCc1cccc2c1N[C@@H](C1CCCCC1)[C@@H](O)C2 ZINC000725268328 567924076 /nfs/dbraw/zinc/92/40/76/567924076.db2.gz MMJNZUVJGYYFJI-RDJZCZTQSA-N 0 0 259.393 3.527 10 0 CHAERN NNc1cc2cccc(Cl)c2nc1C1CCCC1 ZINC000725268358 567924088 /nfs/dbraw/zinc/92/40/88/567924088.db2.gz NNAOADNJBPUYEA-UHFFFAOYSA-N 0 0 261.756 3.831 10 0 CHAERN Cc1oc2c(c3c4ccccc4nc1-3)C(=O)CCC2 ZINC000136211569 567930973 /nfs/dbraw/zinc/93/09/73/567930973.db2.gz WYETVYKKXAMODY-UHFFFAOYSA-N 0 0 251.285 3.760 10 0 CHAERN C[C@H]1CCc2nc(-c3cccc(Br)c3)cn2C1 ZINC000258591907 567931086 /nfs/dbraw/zinc/93/10/86/567931086.db2.gz VEOQZKYZANUZRT-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN CNc1ncc(-c2ccc(C=O)cc2)cc1C(F)(F)F ZINC000584880676 570228609 /nfs/dbraw/zinc/22/86/09/570228609.db2.gz GTJWBVRHEQEUNG-UHFFFAOYSA-N 0 0 280.249 3.622 10 0 CHAERN Fc1cc(N[C@H]2CCSC2)ccc1Br ZINC000083826336 570252810 /nfs/dbraw/zinc/25/28/10/570252810.db2.gz HBJFCIJBRPKBKJ-QMMMGPOBSA-N 0 0 276.174 3.506 10 0 CHAERN CC[C@@H](C)Cc1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248299 570256154 /nfs/dbraw/zinc/25/61/54/570256154.db2.gz QJOYZTCFEZYIKH-MRVPVSSYSA-N 0 0 296.212 3.697 10 0 CHAERN COc1cc(/C=C/C(=O)OC(C)(C)C)ccc1OC(C)C ZINC000405995355 570371864 /nfs/dbraw/zinc/37/18/64/570371864.db2.gz USFFENXQEFHTIH-CSKARUKUSA-N 0 0 292.375 3.837 10 0 CHAERN CCOC(=O)[C@](CC)(NCc1ccccc1)c1ccccc1 ZINC000065734652 570393299 /nfs/dbraw/zinc/39/32/99/570393299.db2.gz YETKYCLVMZREBS-LJQANCHMSA-N 0 0 297.398 3.645 10 0 in-vitro CHAERN CCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960621 570406841 /nfs/dbraw/zinc/40/68/41/570406841.db2.gz VBCMEUWNXFOKQE-UHFFFAOYSA-N 0 0 291.391 3.793 10 0 CHAERN Cc1cc(Br)cc(NCC(F)(F)F)c1 ZINC000232068032 570410606 /nfs/dbraw/zinc/41/06/06/570410606.db2.gz BZZVAYPGBUVEIV-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710265556 977499301 /nfs/dbraw/zinc/49/93/01/977499301.db2.gz GXUOSZMBOVPGIJ-PEYYIBSZSA-N 0 0 295.810 3.834 10 0 CHAERN C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722637235 978157331 /nfs/dbraw/zinc/15/73/31/978157331.db2.gz XVJQVJOYRQHNEL-CKYFFXLPSA-N 0 0 299.773 3.583 10 0 CHAERN Cc1cscc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187051432 1126907340 /nfs/dbraw/zinc/90/73/40/1126907340.db2.gz PVNYSLTZIKYPQR-ZDUSSCGKSA-N 0 0 292.429 3.799 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362837275 1127651028 /nfs/dbraw/zinc/65/10/28/1127651028.db2.gz CNRQKNHGZNVXAD-HOCLYGCPSA-N 0 0 268.360 3.573 10 0 CHAERN FC(F)c1nnc(N2CCC[C@@H]2/C=C/c2cccs2)o1 ZINC000367794559 1127755241 /nfs/dbraw/zinc/75/52/41/1127755241.db2.gz SNBSKRAQWFCTGM-VUHVRTRXSA-N 0 0 297.330 3.751 10 0 CHAERN Cc1cccc(NC(=O)CSc2ccccc2F)c1 ZINC000003473599 1128130138 /nfs/dbraw/zinc/13/01/38/1128130138.db2.gz DFXOOMDDIVZAMD-UHFFFAOYSA-N 0 0 275.348 3.865 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000588390935 1118513883 /nfs/dbraw/zinc/51/38/83/1118513883.db2.gz GLELSQLUIOBITQ-QIAWRQBBSA-N 0 0 291.366 3.758 10 0 CHAERN CSCCCCNC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588399571 1118544584 /nfs/dbraw/zinc/54/45/84/1118544584.db2.gz VZEIJHJIMROULI-OWBHPGMISA-N 0 0 277.433 3.658 10 0 CHAERN Cc1ccc(/C=C\CC(=O)OCc2cncs2)cc1 ZINC000588402979 1118549127 /nfs/dbraw/zinc/54/91/27/1118549127.db2.gz VGQVXOMAFDVAMO-IHWYPQMZSA-N 0 0 273.357 3.598 10 0 CHAERN C/C(=C/C(=O)OCCC[C@@H]1CCCO1)c1ccccc1 ZINC000588449075 1118789363 /nfs/dbraw/zinc/78/93/63/1118789363.db2.gz PNTYMGFQTPPIQT-FIPLFPIMSA-N 0 0 274.360 3.592 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(CC1CCCCC1)C1CC1 ZINC000588452150 1118798468 /nfs/dbraw/zinc/79/84/68/1118798468.db2.gz QYLNCFJSMHADPW-QXMHVHEDSA-N 0 0 298.430 3.975 10 0 CHAERN Cc1cccc([C@H](C)CNC(=O)/C=C\c2ncccc2C)c1 ZINC000588453178 1118798771 /nfs/dbraw/zinc/79/87/71/1118798771.db2.gz GTLVUOWDXUPRDL-ZBTGYSDGSA-N 0 0 294.398 3.632 10 0 CHAERN O[C@H]1CCOc2c(NC/C=C\c3ccccc3)cccc21 ZINC000588471328 1118892778 /nfs/dbraw/zinc/89/27/78/1118892778.db2.gz SOBYRTGIBDXZCS-AFCDSYGPSA-N 0 0 281.355 3.628 10 0 CHAERN O[C@H]1CCOc2c(NC/C=C\c3ccc(F)cc3)cccc21 ZINC000588471327 1118893667 /nfs/dbraw/zinc/89/36/67/1118893667.db2.gz PBTZEWNXHYKADT-KYVUIXNKSA-N 0 0 299.345 3.767 10 0 CHAERN O=C(/C=C\c1cccnc1)O[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000588492769 1118981213 /nfs/dbraw/zinc/98/12/13/1118981213.db2.gz KADXBZSYOXFPDJ-GJKGUAGWSA-N 0 0 271.360 3.607 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000588500019 1119006901 /nfs/dbraw/zinc/00/69/01/1119006901.db2.gz OJUGBUHBRVDJRS-KHPPLWFESA-N 0 0 299.374 3.976 10 0 CHAERN COc1ccc2c(c1NC(=O)/C=C\C(C)(C)C)CCC2 ZINC000588583453 1119417964 /nfs/dbraw/zinc/41/79/64/1119417964.db2.gz MYMANXOXXKICEB-KHPPLWFESA-N 0 0 273.376 3.725 10 0 CHAERN C[C@@H]1CCC[C@H](c2noc([C@H]3CCCC(=O)N3)n2)C1 ZINC000329597849 1119445365 /nfs/dbraw/zinc/44/53/65/1119445365.db2.gz PNSZFPXFFRFARK-OUAUKWLOSA-N 0 0 263.341 3.545 10 0 CHAERN CC(C)(C)/C=C\C(=O)Oc1ccc([C@H]2CCOC2)cc1 ZINC000588587895 1119478952 /nfs/dbraw/zinc/47/89/52/1119478952.db2.gz VQVDMCNGHSYVEA-GDAGCXPBSA-N 0 0 274.360 3.698 10 0 CHAERN CC(C)(C)/C=C\C(=O)Oc1ccc([C@@H]2CCOC2)cc1 ZINC000588587896 1119479107 /nfs/dbraw/zinc/47/91/07/1119479107.db2.gz VQVDMCNGHSYVEA-QQBNSCQMSA-N 0 0 274.360 3.698 10 0 CHAERN CCn1c(C)nnc1SCc1csc(C(C)(C)C)n1 ZINC000102205809 1119746960 /nfs/dbraw/zinc/74/69/60/1119746960.db2.gz UNDQJLCICZMLHB-UHFFFAOYSA-N 0 0 296.465 3.653 10 0 CHAERN CC(C)c1ccc([C@H](C)OC(=O)/C=C\c2ccncn2)cc1 ZINC000588441748 1120079851 /nfs/dbraw/zinc/07/98/51/1120079851.db2.gz OFLQBLSKVKUGAN-CKXPSTMWSA-N 0 0 296.370 3.918 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)ccc1F ZINC000364239470 1120514882 /nfs/dbraw/zinc/51/48/82/1120514882.db2.gz PGQYBVIGAAGFBH-ZDUSSCGKSA-N 0 0 290.363 3.568 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000332830246 1121478244 /nfs/dbraw/zinc/47/82/44/1121478244.db2.gz QCTSKTHGOKUTLP-GBJTYRQASA-N 0 0 290.407 3.767 10 0 CHAERN CC(C)(C)n1cc(NC(=O)N2CCCCC(C)(C)C2)cn1 ZINC000408445215 1121585052 /nfs/dbraw/zinc/58/50/52/1121585052.db2.gz ZTJUUNHRIRMZSD-UHFFFAOYSA-N 0 0 292.427 3.682 10 0 CHAERN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000003152936 1122926440 /nfs/dbraw/zinc/92/64/40/1122926440.db2.gz NMBSOFMQWFNDQR-DLBZAZTESA-N 0 0 281.355 3.828 10 0 CHAERN O=C(/C=C/c1ccccc1Cl)OCCc1cccnc1 ZINC000105555659 1123056096 /nfs/dbraw/zinc/05/60/96/1123056096.db2.gz VCZPFYCBDZKZBV-BQYQJAHWSA-N 0 0 287.746 3.534 10 0 CHAERN CC1(C)CC[C@H](CN2CCCC[C@@H]2c2nccs2)O1 ZINC000184672058 1123209769 /nfs/dbraw/zinc/20/97/69/1123209769.db2.gz VCFDEVJAGLMYRV-CHWSQXEVSA-N 0 0 280.437 3.628 10 0 CHAERN CC1CCC(=Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000329606900 1123632091 /nfs/dbraw/zinc/63/20/91/1123632091.db2.gz CFEQXLAOSHTVGJ-UHFFFAOYSA-N 0 0 273.311 3.864 10 0 CHAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2nc(C)ns2)o1 ZINC000301967744 1123947329 /nfs/dbraw/zinc/94/73/29/1123947329.db2.gz WTHGESJUGITMJW-BXKDBHETSA-N 0 0 277.393 3.726 10 0 CHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2nc(C)ns2)o1 ZINC000301967745 1123947463 /nfs/dbraw/zinc/94/74/63/1123947463.db2.gz WTHGESJUGITMJW-CABZTGNLSA-N 0 0 277.393 3.726 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)C1CC1 ZINC000102614102 1125309549 /nfs/dbraw/zinc/30/95/49/1125309549.db2.gz LCEHXQXKYFPJFC-UHFFFAOYSA-N 0 0 265.784 3.879 10 0 CHAERN Cc1ccc(CCCC(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000103017675 1125351385 /nfs/dbraw/zinc/35/13/85/1125351385.db2.gz KVKDBMYETJRVKD-UHFFFAOYSA-N 0 0 295.386 3.624 10 0 CHAERN Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000103072732 1125352305 /nfs/dbraw/zinc/35/23/05/1125352305.db2.gz XVAOBJKILGHCGQ-GOSISDBHSA-N 0 0 296.414 3.836 10 0 CHAERN CC[C@H](CC(=O)N(C)Cc1ccc(C)o1)C(C)C ZINC000104203542 1125383754 /nfs/dbraw/zinc/38/37/54/1125383754.db2.gz WUNFXNWTKXKWBB-CYBMUJFWSA-N 0 0 251.370 3.619 10 0 CHAERN CC(C)(C)CCCCNC(=O)CCc1ccccc1O ZINC000104440852 1125386260 /nfs/dbraw/zinc/38/62/60/1125386260.db2.gz YZVDAFXVLSWVOQ-UHFFFAOYSA-N 0 0 277.408 3.657 10 0 CHAERN CCC[C@@H](CC)NC(=O)N(CCC)CCc1ccccn1 ZINC000105202470 1125435393 /nfs/dbraw/zinc/43/53/93/1125435393.db2.gz MQURWAPHEGIYHN-OAHLLOKOSA-N 0 0 291.439 3.624 10 0 CHAERN Cc1ccc(CC(=O)NC(C)(C)c2ccc(F)cc2)s1 ZINC000103052060 1129695149 /nfs/dbraw/zinc/69/51/49/1129695149.db2.gz YKUSEIXOFPEGCE-UHFFFAOYSA-N 0 0 291.391 3.790 10 0 CHAERN CS[C@@H](C)C(=O)Oc1cc(C)ccc1C(C)C ZINC000103329490 1129748197 /nfs/dbraw/zinc/74/81/97/1129748197.db2.gz ANCQDQWXPKZNBA-NSHDSACASA-N 0 0 252.379 3.775 10 0 CHAERN CCO[C@@H](C)C(=O)Oc1ccc([C@@H](C)CC)cc1 ZINC000103637212 1131855976 /nfs/dbraw/zinc/85/59/76/1131855976.db2.gz MQRDVMGJKMCRCJ-RYUDHWBXSA-N 0 0 250.338 3.531 10 0 CHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(C)(C)C ZINC000103701463 1132286498 /nfs/dbraw/zinc/28/64/98/1132286498.db2.gz BNESFEWCQVWUCW-UHFFFAOYSA-N 0 0 294.439 3.678 10 0 CHAERN CC(C)(C)Oc1cc(OC2CC2)cc(Br)n1 ZINC000095713791 185019054 /nfs/dbraw/zinc/01/90/54/185019054.db2.gz LDSLIXKEQRSYDR-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)(C)Oc1ncc(OC2CC2)cc1Br ZINC000095724294 185020652 /nfs/dbraw/zinc/02/06/52/185020652.db2.gz ABWUOGRARAXEMK-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN Cc1nc(-c2cc(Cl)ccc2Cl)ccc1N ZINC000082522185 178087911 /nfs/dbraw/zinc/08/79/11/178087911.db2.gz DLCICLZYNOCLAB-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN Cc1nc(NC(=O)OC(C)(C)C)cc2ccccc12 ZINC000095830254 185028610 /nfs/dbraw/zinc/02/86/10/185028610.db2.gz JACCSZCGSMWLEU-UHFFFAOYSA-N 0 0 258.321 3.890 10 0 CHAERN Cc1cc(N)cc2c1N(C(=O)OC(C)(C)C)CC2(C)C ZINC000082586142 178121479 /nfs/dbraw/zinc/12/14/79/178121479.db2.gz QWZDGWXGUZCICN-UHFFFAOYSA-N 0 0 276.380 3.610 10 0 CHAERN CC(C)OC(=O)/C=C\c1cccc(Cl)c1Cl ZINC000095936611 185034108 /nfs/dbraw/zinc/03/41/08/185034108.db2.gz FWOOBMRJMIIMQC-SREVYHEPSA-N 0 0 259.132 3.958 10 0 CHAERN Brc1ccc2[nH]c(C3CCCC3)nc2c1 ZINC000082622931 178136886 /nfs/dbraw/zinc/13/68/86/178136886.db2.gz MPNMHZYXTCEEPB-UHFFFAOYSA-N 0 0 265.154 3.983 10 0 CHAERN Cc1nc2ccccc2cc1-c1cn2ccccc2n1 ZINC000096028949 185067502 /nfs/dbraw/zinc/06/75/02/185067502.db2.gz WNJMEQUDYVHYCO-UHFFFAOYSA-N 0 0 259.312 3.858 10 0 CHAERN Cc1cc(C)cc(NC(=O)c2ccc3nc(N)sc3c2)c1 ZINC000082698319 178198246 /nfs/dbraw/zinc/19/82/46/178198246.db2.gz ZZSXWAMVOYUXJB-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN CC(=O)c1ccc(F)c(-c2cnn(-c3ccccc3)c2)c1 ZINC000082709179 178219173 /nfs/dbraw/zinc/21/91/73/178219173.db2.gz PNHMQPXZRRCVTL-UHFFFAOYSA-N 0 0 280.302 3.881 10 0 CHAERN CN[C@@H](Cc1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000082717601 178232454 /nfs/dbraw/zinc/23/24/54/178232454.db2.gz BAZGCUFJVYIJBV-LBPRGKRZSA-N 0 0 259.315 3.677 10 0 CHAERN CN[C@H](Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000082717653 178232894 /nfs/dbraw/zinc/23/28/94/178232894.db2.gz UWFSYACFSWAFEJ-SECBINFHSA-N 0 0 272.097 3.686 10 0 CHAERN CN[C@@H](Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000082717656 178233037 /nfs/dbraw/zinc/23/30/37/178233037.db2.gz GIUGFMBTEGAFRH-VIFPVBQESA-N 0 0 272.097 3.686 10 0 CHAERN Cc1cc(N)ncc1-c1cccc(Cl)c1Cl ZINC000082730126 178247489 /nfs/dbraw/zinc/24/74/89/178247489.db2.gz WSWQGJNFGUWQSO-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN Cc1ccc(N)c2ccnc(NCc3ccccc3)c12 ZINC000082765579 178279286 /nfs/dbraw/zinc/27/92/86/178279286.db2.gz ATUXSRUFWWPGKC-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN Cc1cc(Br)nc2cc(Cl)ccc12 ZINC000082788570 178293691 /nfs/dbraw/zinc/29/36/91/178293691.db2.gz XLVHSVBKZAVYMP-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC(C)c1nn(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000082823626 178319041 /nfs/dbraw/zinc/31/90/41/178319041.db2.gz SXEQGDWOUDKJHG-UHFFFAOYSA-N 0 0 268.360 3.574 10 0 CHAERN Nc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000083158861 178344733 /nfs/dbraw/zinc/34/47/33/178344733.db2.gz XGOCUDWODKYEJY-UHFFFAOYSA-N 0 0 266.127 3.807 10 0 CHAERN CCCOc1ccc(C(=O)CC)cc1Br ZINC000083162835 178346478 /nfs/dbraw/zinc/34/64/78/178346478.db2.gz LHYDKHSMVZKTHD-UHFFFAOYSA-N 0 0 271.154 3.831 10 0 CHAERN COC(=O)c1ncsc1-c1cccc(Cl)c1Cl ZINC000083239278 178366187 /nfs/dbraw/zinc/36/61/87/178366187.db2.gz LFIMJSICIUCQTE-UHFFFAOYSA-N 0 0 288.155 3.904 10 0 CHAERN CC(=O)c1cc2cccc(Br)c2s1 ZINC000096884118 185119046 /nfs/dbraw/zinc/11/90/46/185119046.db2.gz NCHCALVLMIKJAK-UHFFFAOYSA-N 0 0 255.136 3.866 10 0 CHAERN Nc1nc2c(s1)CSc1ccc(Cl)cc1-2 ZINC000096905937 185127963 /nfs/dbraw/zinc/12/79/63/185127963.db2.gz IFRRAGJMSHEIPW-UHFFFAOYSA-N 0 0 254.767 3.651 10 0 CHAERN Cc1ccc(-c2csc(Br)n2)s1 ZINC000096949846 185139248 /nfs/dbraw/zinc/13/92/48/185139248.db2.gz LRXKMUYGKYQXJJ-UHFFFAOYSA-N 0 0 260.181 3.943 10 0 CHAERN CC[C@@H]1CN(Cc2ccccc2)c2ccccc2N1 ZINC000076929089 136501441 /nfs/dbraw/zinc/50/14/41/136501441.db2.gz SGMGLWCBXDXDDD-OAHLLOKOSA-N 0 0 252.361 3.897 10 0 CHAERN Nc1ccccc1C(=O)CCc1ccccc1Cl ZINC000098178986 185698438 /nfs/dbraw/zinc/69/84/38/185698438.db2.gz ALZXPGYRIYPXMB-UHFFFAOYSA-N 0 0 259.736 3.738 10 0 CHAERN CC(C)c1nnc(Cl)n1[C@@H](C)c1ccc(F)cc1 ZINC000103928933 185863073 /nfs/dbraw/zinc/86/30/73/185863073.db2.gz CMHWDDFLYCESNB-VIFPVBQESA-N 0 0 267.735 3.803 10 0 CHAERN Cc1cc(C)cc(-n2c(Cl)nnc2C(C)(C)C)c1 ZINC000103928767 185863162 /nfs/dbraw/zinc/86/31/62/185863162.db2.gz MIEXIDSQOXGXSI-UHFFFAOYSA-N 0 0 263.772 3.835 10 0 CHAERN OCc1c(Cl)n(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000103959921 185869130 /nfs/dbraw/zinc/86/91/30/185869130.db2.gz KSNXYBCPSKFDRK-UHFFFAOYSA-N 0 0 283.158 3.549 10 0 CHAERN COc1cc(N(C)c2ccc(C)cc2C)ccc1N ZINC000104241526 185940916 /nfs/dbraw/zinc/94/09/16/185940916.db2.gz MKWUODNKSDLDDZ-UHFFFAOYSA-N 0 0 256.349 3.662 10 0 CHAERN COc1cc(S[C@@H]2CCC[C@@H](C)C2)ccc1N ZINC000104245231 185941921 /nfs/dbraw/zinc/94/19/21/185941921.db2.gz SAIRCVJOYIGCFE-GHMZBOCLSA-N 0 0 251.395 3.948 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1C(N)=S)c1ccccc1 ZINC000104246288 185942135 /nfs/dbraw/zinc/94/21/35/185942135.db2.gz BSDZKKNDIKYPNL-SNVBAGLBSA-N 0 0 275.348 3.600 10 0 CHAERN Oc1cccc(OC[C@@H]2CCCc3ccccc32)c1 ZINC000104313518 185964243 /nfs/dbraw/zinc/96/42/43/185964243.db2.gz NOTZKDPZHNWRQC-AWEZNQCLSA-N 0 0 254.329 3.891 10 0 CHAERN Cc1nc(-c2ccnc3ccccc32)nc(Cl)c1C ZINC000104381008 185987007 /nfs/dbraw/zinc/98/70/07/185987007.db2.gz RSZUNRVGONHDEG-UHFFFAOYSA-N 0 0 269.735 3.962 10 0 CHAERN COc1cccc2occ(/C=C\c3ccccc3)c(=O)c12 ZINC000090554938 180003481 /nfs/dbraw/zinc/00/34/81/180003481.db2.gz RPFVHEPBPRHQRQ-KHPPLWFESA-N 0 0 278.307 3.972 10 0 CHAERN COc1ncc(-c2ccc(C)cc2)c2c(O)cccc12 ZINC000090555758 180003871 /nfs/dbraw/zinc/00/38/71/180003871.db2.gz MZVQTQYIVYWDDG-UHFFFAOYSA-N 0 0 265.312 3.924 10 0 CHAERN CCC(CC)[C@@H](C)Nc1cc(C)ccc1C(N)=S ZINC000104438463 186002581 /nfs/dbraw/zinc/00/25/81/186002581.db2.gz IAYOBSPFKHBRIZ-LLVKDONJSA-N 0 0 264.438 3.866 10 0 CHAERN CC(=O)Nc1ccc2c(c1)CN(c1cc(C)cc(C)c1)C2 ZINC000090759747 180037130 /nfs/dbraw/zinc/03/71/30/180037130.db2.gz QTUVLGFZCFEDAP-UHFFFAOYSA-N 0 0 280.371 3.782 10 0 CHAERN C[C@@H](CC(=O)Nc1ccc(Cl)cc1N)C(C)(C)C ZINC000104450092 186006688 /nfs/dbraw/zinc/00/66/88/186006688.db2.gz UAXJIKMQDSCMJC-VIFPVBQESA-N 0 0 268.788 3.933 10 0 CHAERN CCCC[C@@H](CC)CN1C(=O)c2cscc2C1=O ZINC000091301382 180128251 /nfs/dbraw/zinc/12/82/51/180128251.db2.gz PCLDQMLVTDTSOU-SNVBAGLBSA-N 0 0 265.378 3.561 10 0 CHAERN Cc1cnc(Cl)nc1NCc1ccc(Cl)cc1 ZINC000091658164 180218851 /nfs/dbraw/zinc/21/88/51/180218851.db2.gz JFGBIRZCSLHOOA-UHFFFAOYSA-N 0 0 268.147 3.704 10 0 CHAERN Nc1cc(-c2cc(Br)cs2)cs1 ZINC000105889442 186084831 /nfs/dbraw/zinc/08/48/31/186084831.db2.gz XFUGCRPKAJMZNZ-UHFFFAOYSA-N 0 0 260.181 3.821 10 0 CHAERN O[C@H](C[C@@H]1CCCc2ccccc21)c1cccnc1 ZINC000111821843 186459935 /nfs/dbraw/zinc/45/99/35/186459935.db2.gz VCHYNGWZJRKCGO-WMLDXEAASA-N 0 0 253.345 3.625 10 0 CHAERN COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000169419823 188661274 /nfs/dbraw/zinc/66/12/74/188661274.db2.gz ULAADVBNYHGIBP-FKSLSLAPSA-N 0 0 286.415 3.912 10 0 CHAERN C/C(=C/c1nc2ccccc2n(C)c1=O)c1ccc(C)cc1 ZINC000216061830 189699932 /nfs/dbraw/zinc/69/99/32/189699932.db2.gz KDVBHBUHOSPLEZ-OWBHPGMISA-N 0 0 290.366 3.802 10 0 CHAERN CNc1ccc(Cl)c(CN(C)c2ccccc2F)n1 ZINC000061638544 522622742 /nfs/dbraw/zinc/62/27/42/522622742.db2.gz RZEGHJASVHZXSI-UHFFFAOYSA-N 0 0 279.746 3.552 10 0 CHAERN Cc1ccc(CN(C)C(=O)Nc2ccccc2)s1 ZINC000102782064 261269584 /nfs/dbraw/zinc/26/95/84/261269584.db2.gz WRUWCHDIUDMGQY-UHFFFAOYSA-N 0 0 260.362 3.720 10 0 CHAERN COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1 ZINC000000008074 169505474 /nfs/dbraw/zinc/50/54/74/169505474.db2.gz UNALZVYBWFUPTL-UHFFFAOYSA-N 0 0 295.338 3.928 10 0 in-vivo CHAERN O=C(Oc1cccc2cccnc21)c1cccnc1Cl ZINC000000165812 169560608 /nfs/dbraw/zinc/56/06/08/169560608.db2.gz FTXWXQWGNMXIEN-UHFFFAOYSA-N 0 0 284.702 3.502 10 0 CHAERN FC(F)(F)Oc1cccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000037216510 184539727 /nfs/dbraw/zinc/53/97/27/184539727.db2.gz BIJHSIVQCXXEIZ-JIMOISOXSA-N 0 0 269.266 3.962 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)OCCO2 ZINC000070977594 184572330 /nfs/dbraw/zinc/57/23/30/184572330.db2.gz RDWURFHMUATVNV-TZMCWYRMSA-N 0 0 261.365 3.839 10 0 CHAERN COc1ccc(OC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000000499036 169656984 /nfs/dbraw/zinc/65/69/84/169656984.db2.gz TVONYUKYCQTIRD-KPKJPENVSA-N 0 0 268.312 3.622 10 0 CHAERN C[C@@H](NC(=O)N1CC[C@H](C)C[C@H](C)C1)c1cccc(O)c1 ZINC000191020617 533135138 /nfs/dbraw/zinc/13/51/38/533135138.db2.gz GYSDYOWRGOTQTP-MELADBBJSA-N 0 0 290.407 3.531 10 0 CHAERN O=c1cc(-c2ccncc2)oc2ccc(Cl)cc12 ZINC000001515182 169711115 /nfs/dbraw/zinc/71/11/15/169711115.db2.gz BJQTYAFKEOZQJE-UHFFFAOYSA-N 0 0 257.676 3.508 10 0 CHAERN CC(C)c1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171362487 335063419 /nfs/dbraw/zinc/06/34/19/335063419.db2.gz KDJCFOLACIEMKG-LBPRGKRZSA-N 0 0 278.421 3.779 10 0 CHAERN C[C@@H](Nc1cccc(F)n1)c1cnn(Cc2ccccc2)c1 ZINC000301859006 533558859 /nfs/dbraw/zinc/55/88/59/533558859.db2.gz SKHQIZUEICYAEU-CYBMUJFWSA-N 0 0 296.349 3.639 10 0 CHAERN O=C(CN1CCCc2ccccc21)c1cc(F)ccc1F ZINC000035020297 134786906 /nfs/dbraw/zinc/78/69/06/134786906.db2.gz XRSVAVJGKWZELG-UHFFFAOYSA-N 0 0 287.309 3.600 10 0 CHAERN Cc1ccc2c(c1)CCCN2CC(=O)c1ccc(F)cc1 ZINC000035036653 134787227 /nfs/dbraw/zinc/78/72/27/134787227.db2.gz DPYCTMHRSVUFNX-UHFFFAOYSA-N 0 0 283.346 3.770 10 0 CHAERN C[C@H]1c2ccsc2CCN1c1ccc(N)cc1F ZINC000042740460 134896530 /nfs/dbraw/zinc/89/65/30/134896530.db2.gz QJSXCVXAFOXXJL-VIFPVBQESA-N 0 0 262.353 3.593 10 0 CHAERN O=C(CCc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000002516354 169798876 /nfs/dbraw/zinc/79/88/76/169798876.db2.gz LIXOTXDDQMXBQT-UHFFFAOYSA-N 0 0 264.246 3.919 10 0 CHAERN CC(C)[C@@H](c1ccccc1)n1nnc2ccccc21 ZINC000005284934 170082782 /nfs/dbraw/zinc/08/27/82/170082782.db2.gz RMHGPPVTSUMDIF-INIZCTEOSA-N 0 0 251.333 3.677 10 0 CHAERN CCC[C@@H](O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000005311069 170084970 /nfs/dbraw/zinc/08/49/70/170084970.db2.gz ZVJAAIVVPNYVCM-MWLCHTKSSA-N 0 0 267.419 3.938 10 0 CHAERN CC(C)CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005384280 170092755 /nfs/dbraw/zinc/09/27/55/170092755.db2.gz XOUOBGRDZJVXRI-GQCTYLIASA-N 0 0 272.175 3.779 10 0 CHAERN Cc1nc2cc([C@H](c3ccccc3)n3ccnc3)ccc2[nH]1 ZINC000005424882 170098009 /nfs/dbraw/zinc/09/80/09/170098009.db2.gz DCGOMTSIZLGUOK-SFHVURJKSA-N 0 0 288.354 3.706 10 0 in-man CHAERN C[C@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000005529137 170109071 /nfs/dbraw/zinc/10/90/71/170109071.db2.gz FMWJWZKIPXLWDZ-BCPZQOPPSA-N 0 0 263.768 3.754 10 0 CHAERN Cc1ccc(C)c(OCc2ccc(C(N)=S)cc2)c1 ZINC000005592546 170117196 /nfs/dbraw/zinc/11/71/96/170117196.db2.gz UQPZWBAJSZKCRW-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN Cc1cc2ncn(C(=O)[C@H](C)Oc3ccccc3)c2cc1C ZINC000005681047 170127870 /nfs/dbraw/zinc/12/78/70/170127870.db2.gz PBDOKKYGZHTMHF-AWEZNQCLSA-N 0 0 294.354 3.761 10 0 CHAERN Cc1cc2ncn(C(=O)C(Cl)(Cl)Cl)c2cc1C ZINC000005681005 170127968 /nfs/dbraw/zinc/12/79/68/170127968.db2.gz JFSKHUPDFJSQHR-UHFFFAOYSA-N 0 0 291.565 3.664 10 0 CHAERN COc1ccc2nc(Cl)c([C@@H](O)c3ccccc3)cc2c1 ZINC000005720911 170132852 /nfs/dbraw/zinc/13/28/52/170132852.db2.gz JCAIQYZMNTXDRO-INIZCTEOSA-N 0 0 299.757 3.979 10 0 CHAERN CC(C)CCOC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000005727028 170134112 /nfs/dbraw/zinc/13/41/12/170134112.db2.gz STCAMTBHVAJPTP-UHFFFAOYSA-N 0 0 291.391 3.874 10 0 CHAERN O=C(C[C@@]1(c2ccccc2)OCCS1)c1ccccc1 ZINC000005772670 170139245 /nfs/dbraw/zinc/13/92/45/170139245.db2.gz ZVRWKXUNSBDOKW-QGZVFWFLSA-N 0 0 284.380 3.876 10 0 CHAERN Cc1cc(C)cc(Sc2c(C(C)C)nc(CO)n2C)c1 ZINC000005892110 170150690 /nfs/dbraw/zinc/15/06/90/170150690.db2.gz RCBNCBBXPCGGJM-UHFFFAOYSA-N 0 0 290.432 3.804 10 0 CHAERN Cc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1 ZINC000005928699 170156472 /nfs/dbraw/zinc/15/64/72/170156472.db2.gz XUQGRHVGMIAUFW-UHFFFAOYSA-N 0 0 264.328 3.650 10 0 CHAERN COc1ccc(CC(=O)n2cnc3cc(C)c(C)cc32)cc1 ZINC000005926784 170156482 /nfs/dbraw/zinc/15/64/82/170156482.db2.gz ICTCIAIRTSLZIS-UHFFFAOYSA-N 0 0 294.354 3.545 10 0 CHAERN Cc1cccc(NC(=O)/C=C\c2c(F)cccc2Cl)n1 ZINC000005932121 170157370 /nfs/dbraw/zinc/15/73/70/170157370.db2.gz ZRGFCQPZBHDATP-HJWRWDBZSA-N 0 0 290.725 3.834 10 0 CHAERN COc1ccc(-c2cc(C)c3ccc(=O)cc-3o2)cc1 ZINC000006070224 170173708 /nfs/dbraw/zinc/17/37/08/170173708.db2.gz OBJPLSGIYZNSSM-UHFFFAOYSA-N 0 0 266.296 3.729 10 0 CHAERN O=Cc1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000006220021 170183474 /nfs/dbraw/zinc/18/34/74/170183474.db2.gz MNVBTDRBEALBKN-UHFFFAOYSA-N 0 0 256.345 3.673 10 0 CHAERN Cc1ccc(/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000006272554 170187497 /nfs/dbraw/zinc/18/74/97/170187497.db2.gz BPLIPLHPSCABLH-VMFRVMOISA-N 0 0 257.377 3.513 10 0 CHAERN CCCCC(=O)Nc1ccc(C(=O)NCCC(C)C)cc1 ZINC000006396663 170197851 /nfs/dbraw/zinc/19/78/51/170197851.db2.gz IHCXGVRQRUZBON-UHFFFAOYSA-N 0 0 290.407 3.591 10 0 CHAERN CCCOc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006398398 170198284 /nfs/dbraw/zinc/19/82/84/170198284.db2.gz CNWUBRQZRNZJFO-KBPBESRZSA-N 0 0 275.392 3.594 10 0 CHAERN O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccccc1 ZINC000006399695 170198374 /nfs/dbraw/zinc/19/83/74/170198374.db2.gz SDGJJDKFCDDMKK-UHFFFAOYSA-N 0 0 296.355 3.849 10 0 in-vivo CHAERN CC[C@H](Oc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000006440022 170201388 /nfs/dbraw/zinc/20/13/88/170201388.db2.gz KKMLXPRUPXGJRE-INIZCTEOSA-N 0 0 269.344 3.507 10 0 CHAERN O=C1c2ccccc2[C@]2(c3ccccc3)CCCCN12 ZINC000006582004 170215570 /nfs/dbraw/zinc/21/55/70/170215570.db2.gz JVKLGUOFUHFYRR-GOSISDBHSA-N 0 0 263.340 3.570 10 0 CHAERN O=[S@@]1c2ccccc2SN1CC1CCCCC1 ZINC000006583353 170215733 /nfs/dbraw/zinc/21/57/33/170215733.db2.gz KXDGIZQRVPGGHH-KRWDZBQOSA-N 0 0 267.419 3.612 10 0 CHAERN c1csc(-c2ccc(SCc3ccccn3)nn2)c1 ZINC000006858795 170250572 /nfs/dbraw/zinc/25/05/72/170250572.db2.gz ADSWBDMPJGGTCU-UHFFFAOYSA-N 0 0 285.397 3.892 10 0 CHAERN COc1cc(C)c(NC(=O)c2ccc(N)cc2)cc1C(C)C ZINC000006897419 170253766 /nfs/dbraw/zinc/25/37/66/170253766.db2.gz YVDGGDQFDGTEPB-UHFFFAOYSA-N 0 0 298.386 3.962 10 0 CHAERN CCN(C(=S)NCc1ccc(F)cc1)c1ccccc1 ZINC000007350642 170279034 /nfs/dbraw/zinc/27/90/34/170279034.db2.gz QGDMXQQXYDQJHR-UHFFFAOYSA-N 0 0 288.391 3.727 10 0 CHAERN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000007388798 170281712 /nfs/dbraw/zinc/28/17/12/170281712.db2.gz IJSYSMPUTIGJSZ-ZDUSSCGKSA-N 0 0 286.350 3.882 10 0 CHAERN Cc1c2ccccc2sc1C(=O)NC1CCCC1 ZINC000007951159 170309169 /nfs/dbraw/zinc/30/91/69/170309169.db2.gz OSYICYSVTLTQAK-UHFFFAOYSA-N 0 0 259.374 3.882 10 0 CHAERN C[C@H](NC(=O)c1ccc(Cl)nc1)c1cccc(Cl)c1 ZINC000008033957 170315062 /nfs/dbraw/zinc/31/50/62/170315062.db2.gz BQCYLDORTNTBGO-VIFPVBQESA-N 0 0 295.169 3.879 10 0 CHAERN Cc1cccc(/C=C/C(=O)NCc2cccc(Cl)c2)c1 ZINC000008034635 170315275 /nfs/dbraw/zinc/31/52/75/170315275.db2.gz IPHOURITRBEVEU-CMDGGOBGSA-N 0 0 285.774 3.978 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000008277234 170328385 /nfs/dbraw/zinc/32/83/85/170328385.db2.gz NXNQBARDRLFLSP-IXVOVUJJSA-N 0 0 257.377 3.703 10 0 CHAERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccc(F)c1 ZINC000008277110 170328411 /nfs/dbraw/zinc/32/84/11/170328411.db2.gz SLSBDDUBTNQLIG-WKZUOKLVSA-N 0 0 261.340 3.534 10 0 CHAERN CSc1ccccc1C(=O)Nc1onc2c1CCCC2 ZINC000008976645 170360231 /nfs/dbraw/zinc/36/02/31/170360231.db2.gz XACPSGMDXDEGIN-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN Cc1cc(C=O)c(C)n1CCOc1ccc(Cl)cc1 ZINC000009246148 170368129 /nfs/dbraw/zinc/36/81/29/170368129.db2.gz VLANCUANIHXVMM-UHFFFAOYSA-N 0 0 277.751 3.650 10 0 CHAERN Cc1nc2ncnc(N)c2c(-c2cccs2)c1C(C)C ZINC000009694673 170384497 /nfs/dbraw/zinc/38/44/97/170384497.db2.gz VTFPYHDFQPNEIC-UHFFFAOYSA-N 0 0 284.388 3.767 10 0 CHAERN O[C@H]1c2cccc3ccc(-c4ccccc4)c(c23)[C@@H]1O ZINC000013480191 170555175 /nfs/dbraw/zinc/55/51/75/170555175.db2.gz NRNGMUBGJNCBDO-ROUUACIJSA-N 0 0 262.308 3.587 10 0 CHAERN OCc1cccc(Nc2ncc(-c3ccccc3)o2)c1 ZINC000013611262 170569266 /nfs/dbraw/zinc/56/92/66/170569266.db2.gz WTSNQZLKTLSHSD-UHFFFAOYSA-N 0 0 266.300 3.578 10 0 in-vivo CHAERN O=C(CSc1cccc(Br)c1)C(F)(F)F ZINC000013859406 170604627 /nfs/dbraw/zinc/60/46/27/170604627.db2.gz IISVSAKQYBVABG-UHFFFAOYSA-N 0 0 299.111 3.673 10 0 CHAERN O=C(c1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC000015014327 170653447 /nfs/dbraw/zinc/65/34/47/170653447.db2.gz PDKNPVHKFNYGGU-UHFFFAOYSA-N 0 0 260.333 3.611 10 0 CHAERN CC(C)C[C@@H](C)OCCCC(=O)Nc1ccc(F)cc1N ZINC000019279087 170770412 /nfs/dbraw/zinc/77/04/12/170770412.db2.gz IKYACSXWYXHHGS-GFCCVEGCSA-N 0 0 296.386 3.578 10 0 CHAERN Cc1ccc(N)c(C)c1NC(=O)c1cc2c(s1)CCC2 ZINC000019437079 170800603 /nfs/dbraw/zinc/80/06/03/170800603.db2.gz KCHDWTOZECJYLL-UHFFFAOYSA-N 0 0 286.400 3.688 10 0 CHAERN Cc1ccc(-n2nc(-c3ccccc3F)cc2N)cc1 ZINC000019689043 170841376 /nfs/dbraw/zinc/84/13/76/170841376.db2.gz ALHQIXVJMAIEEA-UHFFFAOYSA-N 0 0 267.307 3.569 10 0 CHAERN NC(=S)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000019805295 170874242 /nfs/dbraw/zinc/87/42/42/170874242.db2.gz LXMAFQYGYSKUTJ-UHFFFAOYSA-N 0 0 290.432 3.620 10 0 CHAERN Cc1ccc(C)c(Sc2cc3c(cc2N)OCCO3)c1 ZINC000019869407 170900809 /nfs/dbraw/zinc/90/08/09/170900809.db2.gz MKTCSEOFDIPGMX-UHFFFAOYSA-N 0 0 287.384 3.808 10 0 CHAERN COc1cccc(OC)c1Oc1cccc(F)c1C(C)=O ZINC000019871400 170901961 /nfs/dbraw/zinc/90/19/61/170901961.db2.gz HXQSRNIBVLHPLT-UHFFFAOYSA-N 0 0 290.290 3.838 10 0 CHAERN Nc1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000019874895 170904511 /nfs/dbraw/zinc/90/45/11/170904511.db2.gz KHDVNEREEAWRBP-UHFFFAOYSA-N 0 0 287.750 3.517 10 0 CHAERN COc1ccc([C@H](C)Nc2cc(OC)ccc2OC)cc1 ZINC000019910608 170921525 /nfs/dbraw/zinc/92/15/25/170921525.db2.gz CXZSAPPDQBQPNW-LBPRGKRZSA-N 0 0 287.359 3.886 10 0 CHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccc(Cl)c1 ZINC000019920452 170928454 /nfs/dbraw/zinc/92/84/54/170928454.db2.gz UQYDJHADUQLVFK-ZDUSSCGKSA-N 0 0 261.708 3.591 10 0 CHAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 ZINC000019952151 170940159 /nfs/dbraw/zinc/94/01/59/170940159.db2.gz JYRKSXABPTUXRB-SNVBAGLBSA-N 0 0 291.297 3.909 10 0 CHAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2 ZINC000019961922 170943896 /nfs/dbraw/zinc/94/38/96/170943896.db2.gz BWSIICLBYTYFCK-SNVBAGLBSA-N 0 0 291.297 3.909 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ccc(C(N)=S)cn1 ZINC000020008638 170967840 /nfs/dbraw/zinc/96/78/40/170967840.db2.gz YDWJLHQBJVJZLI-UBHSHLNASA-N 0 0 292.448 3.555 10 0 CHAERN CCC[C@H](Nc1cccc(C(=O)NC)c1)c1ccccc1 ZINC000020124737 171007033 /nfs/dbraw/zinc/00/70/33/171007033.db2.gz DORSMMCISYLALC-KRWDZBQOSA-N 0 0 282.387 4.000 10 0 CHAERN COC(=O)c1ccc(CNc2ccc3[nH]ccc3c2)cc1 ZINC000020132571 171020599 /nfs/dbraw/zinc/02/05/99/171020599.db2.gz ABJUFDNTUJNVKJ-UHFFFAOYSA-N 0 0 280.327 3.567 10 0 CHAERN C[C@H](NCc1nc2ccccc2s1)c1ccco1 ZINC000020136179 171023631 /nfs/dbraw/zinc/02/36/31/171023631.db2.gz HMIVGHXRYXYUDY-JTQLQIEISA-N 0 0 258.346 3.740 10 0 CHAERN Nc1cccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000020186230 171049892 /nfs/dbraw/zinc/04/98/92/171049892.db2.gz CJDFGAOFVXKOIA-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN Nc1cccc(CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000020186226 171049990 /nfs/dbraw/zinc/04/99/90/171049990.db2.gz KJYYYYFSKGSDCS-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN C[C@H]1CCC[C@H](Nc2ccc(-c3nnco3)cc2)C1 ZINC000020186836 171050914 /nfs/dbraw/zinc/05/09/14/171050914.db2.gz BNMUNUBRGWKQKD-FZMZJTMJSA-N 0 0 257.337 3.727 10 0 CHAERN CCc1cccc(C)c1NC(=O)CCc1cccc(N)c1 ZINC000020187106 171051662 /nfs/dbraw/zinc/05/16/62/171051662.db2.gz WZYKLRQAAUXBAW-UHFFFAOYSA-N 0 0 282.387 3.711 10 0 CHAERN Cc1c(N)cccc1C(=O)Nc1ccccc1OC(C)C ZINC000020194562 171060096 /nfs/dbraw/zinc/06/00/96/171060096.db2.gz OAZVOMYFLCMNEF-UHFFFAOYSA-N 0 0 284.359 3.617 10 0 CHAERN Nc1cc(NC(=O)CC2CCCCC2)ccc1Cl ZINC000020249028 171102001 /nfs/dbraw/zinc/10/20/01/171102001.db2.gz QZEMFYCMGKOQMF-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN CC(C)c1cccc(NCC(=O)Nc2cccc(F)c2)c1 ZINC000020302992 171140251 /nfs/dbraw/zinc/14/02/51/171140251.db2.gz OWDAFLMLBXQKNY-UHFFFAOYSA-N 0 0 286.350 4.000 10 0 CHAERN Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(N)c1 ZINC000020344278 171153865 /nfs/dbraw/zinc/15/38/65/171153865.db2.gz JKXOKUVTEQDSIS-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1-n1cnc2ccccc21 ZINC000020352023 171156266 /nfs/dbraw/zinc/15/62/66/171156266.db2.gz AGMUCRCNSLOWDL-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN COc1ccc(OC)c(CNc2c(F)cccc2F)c1 ZINC000020361239 171159240 /nfs/dbraw/zinc/15/92/40/171159240.db2.gz NGFXCIHZNUCIDE-UHFFFAOYSA-N 0 0 279.286 3.594 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366573 171165189 /nfs/dbraw/zinc/16/51/89/171165189.db2.gz JJULGJTZQMIBQK-VIFPVBQESA-N 0 0 289.206 3.710 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366565 171165437 /nfs/dbraw/zinc/16/54/37/171165437.db2.gz JNSYFAZCEHOKDX-DTWKUNHWSA-N 0 0 289.206 3.709 10 0 CHAERN S=C1N=NC(Nc2ccc(Cl)c(Cl)c2)S1 ZINC000020369243 171166757 /nfs/dbraw/zinc/16/67/57/171166757.db2.gz XWAYGMBMKGLULY-UHFFFAOYSA-N 0 0 278.189 3.877 10 0 CHAERN Cc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCO2 ZINC000020369453 171167100 /nfs/dbraw/zinc/16/71/00/171167100.db2.gz YZBDPFSKPHIFSD-UHFFFAOYSA-N 0 0 280.279 3.701 10 0 CHAERN C[C@H](Nc1ccc(N)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000020382079 171172545 /nfs/dbraw/zinc/17/25/45/171172545.db2.gz NBEUSHBLHIZVKU-GVMDUPDNSA-N 0 0 271.408 3.681 10 0 CHAERN Nc1cc(Br)ccc1NCc1ccccc1F ZINC000020383890 171174569 /nfs/dbraw/zinc/17/45/69/171174569.db2.gz MCJRKTJTHLNSRX-UHFFFAOYSA-N 0 0 295.155 3.783 10 0 CHAERN Nc1ccc2nc(COc3ccc(Cl)cc3)oc2c1 ZINC000020424044 171190862 /nfs/dbraw/zinc/19/08/62/171190862.db2.gz MFEARPHXFXTJGB-UHFFFAOYSA-N 0 0 274.707 3.642 10 0 CHAERN CC[C@H](c1nc2ccc(N)cc2o1)c1ccccc1 ZINC000020423968 171191050 /nfs/dbraw/zinc/19/10/50/171191050.db2.gz UYEVEWWSHQNRFT-ZDUSSCGKSA-N 0 0 252.317 3.952 10 0 CHAERN C[C@H]1CCC[C@H](Oc2ccc(Br)cc2N)C1 ZINC000020507266 171228846 /nfs/dbraw/zinc/22/88/46/171228846.db2.gz IEDHNUJHLZSXEF-ONGXEEELSA-N 0 0 284.197 3.989 10 0 CHAERN CC(C)c1cccc(Oc2cc3c(cc2N)OCCO3)c1 ZINC000020558686 171250935 /nfs/dbraw/zinc/25/09/35/171250935.db2.gz JRBDFEZYWRRYGI-UHFFFAOYSA-N 0 0 285.343 3.956 10 0 CHAERN CC(C)c1cccc(NC2N=NC(=S)S2)c1 ZINC000020581875 171257378 /nfs/dbraw/zinc/25/73/78/171257378.db2.gz QVNWKUJUVVFRQG-UHFFFAOYSA-N 0 0 251.380 3.694 10 0 CHAERN COc1ccc(Nc2ccc(Br)cc2N)cc1 ZINC000020584597 171258090 /nfs/dbraw/zinc/25/80/90/171258090.db2.gz JEEWLZYZMYWFAM-UHFFFAOYSA-N 0 0 293.164 3.784 10 0 CHAERN CC(C)c1n[nH]c(=S)n1Cc1ccc(Cl)cc1 ZINC000020588494 171259774 /nfs/dbraw/zinc/25/97/74/171259774.db2.gz IYUZIQPTANXOKQ-UHFFFAOYSA-N 0 0 267.785 3.766 10 0 CHAERN CCC1N=NC(=S)N1c1c(Cl)ccc(C)c1Cl ZINC000020589626 171260709 /nfs/dbraw/zinc/26/07/09/171260709.db2.gz NFDOHSOAXXJJPH-UHFFFAOYSA-N 0 0 288.203 3.734 10 0 CHAERN Fc1cccc(F)c1N1C(=S)N=NC1c1cccs1 ZINC000020591175 171261201 /nfs/dbraw/zinc/26/12/01/171261201.db2.gz BGUSTJOWGUXWSP-UHFFFAOYSA-N 0 0 295.339 3.563 10 0 CHAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1ccncc1 ZINC000020592854 171262599 /nfs/dbraw/zinc/26/25/99/171262599.db2.gz TVAQLSLVLDNOGK-AWEZNQCLSA-N 0 0 258.708 3.529 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1N ZINC000020594664 171263763 /nfs/dbraw/zinc/26/37/63/171263763.db2.gz XXUXLTMPZPRTRR-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccccc1[C@@H](CC(=O)NC1CCCC1)n1cccc1 ZINC000020998606 171284381 /nfs/dbraw/zinc/28/43/81/171284381.db2.gz FVMFZIAODARNHD-GOSISDBHSA-N 0 0 296.414 3.835 10 0 CHAERN COc1cc(Cl)c(C)cc1NCCCSC ZINC000021025016 171291311 /nfs/dbraw/zinc/29/13/11/171291311.db2.gz JYXNVZZDBSHSMO-UHFFFAOYSA-N 0 0 259.802 3.822 10 0 CHAERN NC(=S)c1cccnc1Nc1cccc2ccccc21 ZINC000021500382 171304818 /nfs/dbraw/zinc/30/48/18/171304818.db2.gz IYNGUPPRBLUOIE-UHFFFAOYSA-N 0 0 279.368 3.613 10 0 CHAERN CC[C@H](C)Cn1c2ccccc2nc1[C@@H]1CCCO1 ZINC000021782641 171322526 /nfs/dbraw/zinc/32/25/26/171322526.db2.gz YAOPWNPRMOMYMQ-WFASDCNBSA-N 0 0 258.365 3.934 10 0 CHAERN CCc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000021819690 171334258 /nfs/dbraw/zinc/33/42/58/171334258.db2.gz LOXDJBCYZWYXTP-CQSZACIVSA-N 0 0 282.387 3.997 10 0 CHAERN CCOC(=O)c1c(CCC2CCCC2)nc2sccn21 ZINC000021985691 171345054 /nfs/dbraw/zinc/34/50/54/171345054.db2.gz RMDYCRWHPRJERO-UHFFFAOYSA-N 0 0 292.404 3.695 10 0 CHAERN O=C(c1ccncc1)c1ccc(Cl)cc1Cl ZINC000022121790 171354033 /nfs/dbraw/zinc/35/40/33/171354033.db2.gz VVANPXAXAJKVBP-UHFFFAOYSA-N 0 0 252.100 3.619 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cc1 ZINC000022148739 171357549 /nfs/dbraw/zinc/35/75/49/171357549.db2.gz BKNDQPSPVQBCMB-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Nc1ccc(NC(=O)c2ccsc2)cc1C(F)(F)F ZINC000022148462 171357748 /nfs/dbraw/zinc/35/77/48/171357748.db2.gz LWJFKOUUSZYZCA-UHFFFAOYSA-N 0 0 286.278 3.601 10 0 CHAERN CC(C)C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1F ZINC000022334954 171385692 /nfs/dbraw/zinc/38/56/92/171385692.db2.gz PFGJWDQLOCIYQG-GOSISDBHSA-N 0 0 297.373 3.956 10 0 CHAERN CC(C)C(=O)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000022334957 171385731 /nfs/dbraw/zinc/38/57/31/171385731.db2.gz PFGJWDQLOCIYQG-SFHVURJKSA-N 0 0 297.373 3.956 10 0 CHAERN CC(C)[C@H](NC(=O)c1cccs1)c1cccs1 ZINC000024316760 171433816 /nfs/dbraw/zinc/43/38/16/171433816.db2.gz JEMWDXCEBWTQAD-LBPRGKRZSA-N 0 0 265.403 3.937 10 0 CHAERN Cc1ccc([C@H]2C[C@@H]2c2nnc(Br)s2)cc1 ZINC000026438911 171484275 /nfs/dbraw/zinc/48/42/75/171484275.db2.gz OCGBMLRGJLAQIM-ZJUUUORDSA-N 0 0 295.205 3.880 10 0 CHAERN O=C1O/C(=C/Br)C[C@H]1CCCc1ccccc1 ZINC000026965796 171504094 /nfs/dbraw/zinc/50/40/94/171504094.db2.gz UFQVRXOABBVBQS-GMCKNXKJSA-N 0 0 295.176 3.809 10 0 CHAERN O[C@H](CNc1ccc(Cl)cc1)c1cccs1 ZINC000032108137 171700290 /nfs/dbraw/zinc/70/02/90/171700290.db2.gz DTESYQQADYRVSF-LLVKDONJSA-N 0 0 253.754 3.547 10 0 CHAERN Cc1ccc(Cl)cc1NCc1ccc2c(c1)OCO2 ZINC000032122034 171712354 /nfs/dbraw/zinc/71/23/54/171712354.db2.gz CVCUFYIOBZJHRJ-UHFFFAOYSA-N 0 0 275.735 3.989 10 0 CHAERN O=C(NCc1ccccc1)/C(Cl)=C\c1ccccc1 ZINC000033318953 171783140 /nfs/dbraw/zinc/78/31/40/171783140.db2.gz GUHBIZCSQFLURE-RVDMUPIBSA-N 0 0 271.747 3.583 10 0 CHAERN CN(Cc1ccccc1)C(=O)/C(Cl)=C\c1ccccc1 ZINC000033320513 171783436 /nfs/dbraw/zinc/78/34/36/171783436.db2.gz JRZAAMRTAFAYHQ-FOWTUZBSSA-N 0 0 285.774 3.925 10 0 CHAERN O=C(Nc1nc2nc(Cl)ccc2s1)c1ccccc1 ZINC000034068857 171830474 /nfs/dbraw/zinc/83/04/74/171830474.db2.gz BVGIZHDLEKFYMU-UHFFFAOYSA-N 0 0 289.747 3.597 10 0 CHAERN O=Cc1cc(-c2ccccc2)sc1Br ZINC000034226959 171835150 /nfs/dbraw/zinc/83/51/50/171835150.db2.gz PNNQXYOKWBKBCA-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN CC1(C)Cc2ccc(Br)cc2C(=O)C1 ZINC000034723710 171864632 /nfs/dbraw/zinc/86/46/32/171864632.db2.gz DXANJOXASGMQTF-UHFFFAOYSA-N 0 0 253.139 3.604 10 0 CHAERN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(Cl)c1CO ZINC000034975476 171910358 /nfs/dbraw/zinc/91/03/58/171910358.db2.gz PINRXAKRXKERAT-UHFFFAOYSA-N 0 0 291.565 3.633 10 0 CHAERN C[C@@H](Sc1ccccn1)C(=O)c1ccc(F)c(F)c1 ZINC000034980388 171912849 /nfs/dbraw/zinc/91/28/49/171912849.db2.gz XRDGKKIVLJQTKT-SECBINFHSA-N 0 0 279.311 3.723 10 0 CHAERN C[C@@H]1Cc2ccccc2N1CC(=O)c1cc(F)ccc1F ZINC000035020213 171938301 /nfs/dbraw/zinc/93/83/01/171938301.db2.gz NAFBYKZZXWKMLM-LLVKDONJSA-N 0 0 287.309 3.599 10 0 CHAERN Clc1ccc(-n2cncn2)c(NCc2ccccc2)c1 ZINC000035045372 171949291 /nfs/dbraw/zinc/94/92/91/171949291.db2.gz JNOBWOKUYBJCRJ-UHFFFAOYSA-N 0 0 284.750 3.533 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCc1cc(F)ccc1N ZINC000035057969 171960774 /nfs/dbraw/zinc/96/07/74/171960774.db2.gz XVARUEBMJNLLGI-IAQYHMDHSA-N 0 0 251.345 3.893 10 0 CHAERN Cc1nnc(N[C@H](C)c2cccnc2)c2ccccc12 ZINC000035122714 171992792 /nfs/dbraw/zinc/99/27/92/171992792.db2.gz MUMMGTOGUVYXQK-LLVKDONJSA-N 0 0 264.332 3.506 10 0 CHAERN Cc1nnc(N[C@H](C)c2ccccn2)c2ccccc12 ZINC000035122326 171992889 /nfs/dbraw/zinc/99/28/89/171992889.db2.gz YXNGRZFWZAPAMH-GFCCVEGCSA-N 0 0 264.332 3.506 10 0 CHAERN Cc1ccc(/C=C\C(=O)NC23CC4CC(CC(C4)C2)C3)o1 ZINC000035132553 171998108 /nfs/dbraw/zinc/99/81/08/171998108.db2.gz LBAYHIUWANXAGY-PLNGDYQASA-N 0 0 285.387 3.686 10 0 CHAERN CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 ZINC000035134739 172001475 /nfs/dbraw/zinc/00/14/75/172001475.db2.gz PYMDQTDZEUXTRP-UHFFFAOYSA-N 0 0 278.355 3.830 10 0 CHAERN COC(=O)[C@H](C)CSc1ccc2ccccc2c1 ZINC000035138085 172005602 /nfs/dbraw/zinc/00/56/02/172005602.db2.gz JCCBBWIMKKEDRG-LLVKDONJSA-N 0 0 260.358 3.741 10 0 CHAERN CN(C(=O)c1c[nH]c2ccccc12)C1CCCCCC1 ZINC000035175550 172028632 /nfs/dbraw/zinc/02/86/32/172028632.db2.gz KMWFULSDNYKLRT-UHFFFAOYSA-N 0 0 270.376 3.963 10 0 CHAERN COc1ccc(C(=O)[C@@H](C)SCC(C)C)cc1 ZINC000035183303 172036543 /nfs/dbraw/zinc/03/65/43/172036543.db2.gz OKCHVUICWUFBPN-LLVKDONJSA-N 0 0 252.379 3.656 10 0 CHAERN C[C@H](Oc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000035183910 172037206 /nfs/dbraw/zinc/03/72/06/172037206.db2.gz JCEUNSXABXMBPJ-JTQLQIEISA-N 0 0 262.255 3.615 10 0 CHAERN O=C(COc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035183876 172037432 /nfs/dbraw/zinc/03/74/32/172037432.db2.gz QDSXKYBPISQTNQ-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000035183733 172037455 /nfs/dbraw/zinc/03/74/55/172037455.db2.gz FMUSHENDTNZLCB-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN Cc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1O ZINC000035185105 172039009 /nfs/dbraw/zinc/03/90/09/172039009.db2.gz ZZCOZMOLNQSMNW-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CC[C@@H](N[C@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000035185753 172040067 /nfs/dbraw/zinc/04/00/67/172040067.db2.gz YUCZZYCDOBFRSS-KGLIPLIRSA-N 0 0 283.799 3.578 10 0 CHAERN COC(=O)[C@H](C)CSc1ccc(C(C)C)cc1 ZINC000035207752 172052579 /nfs/dbraw/zinc/05/25/79/172052579.db2.gz VWYHKNQMLIQSOM-LLVKDONJSA-N 0 0 252.379 3.711 10 0 CHAERN COC(=O)[C@@H](C)CSc1ccc(C(C)C)cc1 ZINC000035207753 172052975 /nfs/dbraw/zinc/05/29/75/172052975.db2.gz VWYHKNQMLIQSOM-NSHDSACASA-N 0 0 252.379 3.711 10 0 CHAERN CC(C)Cc1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324302 172126586 /nfs/dbraw/zinc/12/65/86/172126586.db2.gz CPHJYMSHRQAJQT-OAHLLOKOSA-N 0 0 263.381 3.530 10 0 CHAERN CC[C@H](C)c1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324268 172126817 /nfs/dbraw/zinc/12/68/17/172126817.db2.gz ZJFICJPWXHWOQH-WFASDCNBSA-N 0 0 263.381 3.845 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)o2)cc1C ZINC000035369390 172161076 /nfs/dbraw/zinc/16/10/76/172161076.db2.gz ZLBAZNNRXPWISN-UHFFFAOYSA-N 0 0 279.133 3.890 10 0 CHAERN O=Cc1cccn1CCc1ccc(Cl)cc1Cl ZINC000035431322 172199767 /nfs/dbraw/zinc/19/97/67/172199767.db2.gz MKVBLILROQIDFU-UHFFFAOYSA-N 0 0 268.143 3.850 10 0 CHAERN CN[C@@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035458742 172207884 /nfs/dbraw/zinc/20/78/84/172207884.db2.gz WKWJDTHMTDXUIG-ZETCQYMHSA-N 0 0 259.243 3.515 10 0 CHAERN CN[C@H](c1cc(F)ccc1F)c1c(F)cccc1F ZINC000035468719 172218336 /nfs/dbraw/zinc/21/83/36/172218336.db2.gz TYXCODZHYPZZFV-CQSZACIVSA-N 0 0 269.241 3.552 10 0 CHAERN CCN[C@H](c1ccc(C)cc1)C(F)(F)C(F)(F)F ZINC000035540955 172247938 /nfs/dbraw/zinc/24/79/38/172247938.db2.gz LLBOWXJBSYMOHU-SNVBAGLBSA-N 0 0 267.241 3.843 10 0 CHAERN CCN[C@@H](c1ccccc1F)c1cc(F)ccc1F ZINC000035543684 172251954 /nfs/dbraw/zinc/25/19/54/172251954.db2.gz AQQJSMFLULBKDL-HNNXBMFYSA-N 0 0 265.278 3.803 10 0 CHAERN CCCN[C@@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000035581102 172277031 /nfs/dbraw/zinc/27/70/31/172277031.db2.gz LZBJPQTWCQANJL-QMMMGPOBSA-N 0 0 273.270 3.986 10 0 CHAERN CCCN[C@H](c1ccco1)c1ccc(F)cc1F ZINC000035581876 172278794 /nfs/dbraw/zinc/27/87/94/172278794.db2.gz YQVYCMVNICHWTB-AWEZNQCLSA-N 0 0 251.276 3.647 10 0 CHAERN C[C@@H](O)c1ccccc1OCc1ccccc1Cl ZINC000035627057 172306062 /nfs/dbraw/zinc/30/60/62/172306062.db2.gz JORODKVSZDBPCY-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1c(F)cccc1N(C)C1CCCCC1 ZINC000035631295 172313644 /nfs/dbraw/zinc/31/36/44/172313644.db2.gz YOXBOJRVHQJLSU-NSHDSACASA-N 0 0 251.345 3.648 10 0 CHAERN COc1cccc(OC)c1Oc1cccc(F)c1[C@@H](C)O ZINC000035631995 172314436 /nfs/dbraw/zinc/31/44/36/172314436.db2.gz UFKPMYQZGZCVCA-SNVBAGLBSA-N 0 0 292.306 3.689 10 0 CHAERN COc1cccc(Oc2cccc(F)c2[C@@H](C)O)c1 ZINC000035632141 172314487 /nfs/dbraw/zinc/31/44/87/172314487.db2.gz DTZLXGXGBSXARG-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN COc1cccc(OC)c1Oc1ccc(F)cc1[C@H](C)O ZINC000035632000 172314550 /nfs/dbraw/zinc/31/45/50/172314550.db2.gz YSICAMONMZUNOS-JTQLQIEISA-N 0 0 292.306 3.689 10 0 CHAERN Nc1ccccc1CSc1cc(F)ccc1F ZINC000035676252 172346502 /nfs/dbraw/zinc/34/65/02/172346502.db2.gz YDIPQYXMIJPZBW-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Nc1cc(F)ccc1Sc1cc(F)ccc1F ZINC000035676189 172346758 /nfs/dbraw/zinc/34/67/58/172346758.db2.gz JNNCUXBXWWMKOQ-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN Nc1ccc(Sc2ccc(Cl)cc2)c2nonc21 ZINC000035675996 172346833 /nfs/dbraw/zinc/34/68/33/172346833.db2.gz QBFYGWZVNMNDFX-UHFFFAOYSA-N 0 0 277.736 3.610 10 0 CHAERN C[C@@H](Nc1ccc2scnc2c1N)c1ccco1 ZINC000035739164 172393133 /nfs/dbraw/zinc/39/31/33/172393133.db2.gz IBFKPGJMVXWUFF-MRVPVSSYSA-N 0 0 259.334 3.645 10 0 CHAERN COC(=O)C[C@@H](C)Sc1ccc2ccccc2c1 ZINC000035741140 172395067 /nfs/dbraw/zinc/39/50/67/172395067.db2.gz MWZDJAACKHCUEJ-LLVKDONJSA-N 0 0 260.358 3.884 10 0 CHAERN COc1ccc(C)c2sc(NC(=O)C3CCCC3)nc21 ZINC000036695278 172654892 /nfs/dbraw/zinc/65/48/92/172654892.db2.gz MCAWQCVBAUTJBN-UHFFFAOYSA-N 0 0 290.388 3.742 10 0 CHAERN CC(C)Cc1noc(N)c1-c1c(F)cccc1Cl ZINC000036936521 172815943 /nfs/dbraw/zinc/81/59/43/172815943.db2.gz FYHWIAJDUIFNDB-UHFFFAOYSA-N 0 0 268.719 3.915 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCCCOc1cccc(N)c1 ZINC000036985924 172851539 /nfs/dbraw/zinc/85/15/39/172851539.db2.gz TUANAQXYEMZQPJ-CJNGLKHVSA-N 0 0 263.381 3.633 10 0 CHAERN CC[C@@H](Nc1cccc(C(N)=O)c1C)c1cccs1 ZINC000036995942 172856354 /nfs/dbraw/zinc/85/63/54/172856354.db2.gz CMMGADPHESANQA-GFCCVEGCSA-N 0 0 274.389 3.719 10 0 CHAERN C[C@H](Nc1cc(C(N)=O)ccc1F)c1ccc(Cl)s1 ZINC000037013244 172871881 /nfs/dbraw/zinc/87/18/81/172871881.db2.gz LLZIVAVALCNDHE-ZETCQYMHSA-N 0 0 298.770 3.813 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000037103892 172957662 /nfs/dbraw/zinc/95/76/62/172957662.db2.gz MVOBVTVSOIYKGB-NSHDSACASA-N 0 0 255.317 3.500 10 0 CHAERN Nc1cc(F)ccc1SCCOc1ccc(F)cc1 ZINC000037195003 173023792 /nfs/dbraw/zinc/02/37/92/173023792.db2.gz HJCBACINDDPKOW-UHFFFAOYSA-N 0 0 281.327 3.718 10 0 CHAERN COc1ccc([C@H](C)N[C@H](C)c2ccco2)c(F)c1 ZINC000037260326 173070799 /nfs/dbraw/zinc/07/07/99/173070799.db2.gz OUKZBRHLVNVYPL-WDEREUQCSA-N 0 0 263.312 3.839 10 0 CHAERN Cc1csc2nc(C)c(CNc3cccnc3Cl)n12 ZINC000037283593 173091257 /nfs/dbraw/zinc/09/12/57/173091257.db2.gz UMPGWSNDYBDLDV-UHFFFAOYSA-N 0 0 292.795 3.673 10 0 CHAERN Nc1ccc(O)c(CSc2ccccc2Cl)c1 ZINC000037285611 173091535 /nfs/dbraw/zinc/09/15/35/173091535.db2.gz KGJDPAOHYKFNKO-UHFFFAOYSA-N 0 0 265.765 3.920 10 0 CHAERN CC(C)c1cc(N)n(-c2ccc(Cl)cc2Cl)n1 ZINC000037291290 173096729 /nfs/dbraw/zinc/09/67/29/173096729.db2.gz SAFHLIHJHSIXDT-UHFFFAOYSA-N 0 0 270.163 3.885 10 0 CHAERN CO[C@@H]1CCCC[C@H]1Nc1cccc(OC(F)F)c1 ZINC000037293321 173097747 /nfs/dbraw/zinc/09/77/47/173097747.db2.gz IIPVWOMUEDYAKK-CHWSQXEVSA-N 0 0 271.307 3.658 10 0 CHAERN COc1ncccc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037301347 173107321 /nfs/dbraw/zinc/10/73/21/173107321.db2.gz LKQVIFIXRQRINP-MGPQQGTHSA-N 0 0 260.381 3.861 10 0 CHAERN Cc1ccc(OCCC(=O)c2ccc(F)cc2)cc1 ZINC000037329413 173130237 /nfs/dbraw/zinc/13/02/37/173130237.db2.gz IJPYSVIZUCMNRZ-UHFFFAOYSA-N 0 0 258.292 3.786 10 0 CHAERN CCCCCN(C)CC(=O)c1ccc(OC)c(Cl)c1 ZINC000037336856 173137853 /nfs/dbraw/zinc/13/78/53/173137853.db2.gz JAKLGEMKMWDPOF-UHFFFAOYSA-N 0 0 283.799 3.653 10 0 CHAERN Cc1cc(C)n([C@H](C)C(=O)c2cc(C)ccc2C)n1 ZINC000037340690 173142308 /nfs/dbraw/zinc/14/23/08/173142308.db2.gz MKSYGYXNEAKPIL-CQSZACIVSA-N 0 0 256.349 3.561 10 0 CHAERN CCOc1ccc(C(=O)c2cc(C)ccc2C)cc1 ZINC000037353577 173145935 /nfs/dbraw/zinc/14/59/35/173145935.db2.gz XQOXVBRRTLGKDN-UHFFFAOYSA-N 0 0 254.329 3.933 10 0 CHAERN CC(C)c1nc([C@@H](N)c2cc(Cl)cc(Cl)c2)no1 ZINC000037425133 173199003 /nfs/dbraw/zinc/19/90/03/173199003.db2.gz DGJWEEHRVBSKIU-JTQLQIEISA-N 0 0 286.162 3.548 10 0 CHAERN Cn1c2ccc(F)cc2nc1-c1ccc(Cl)c(N)c1 ZINC000037439230 173209135 /nfs/dbraw/zinc/20/91/35/173209135.db2.gz MNNDSIWLCIICCN-UHFFFAOYSA-N 0 0 275.714 3.615 10 0 CHAERN Cn1c2ccc(Cl)cc2nc1-c1sccc1N ZINC000037440176 173210609 /nfs/dbraw/zinc/21/06/09/173210609.db2.gz UTQNLVCHPPDGIE-UHFFFAOYSA-N 0 0 263.753 3.537 10 0 CHAERN CCn1c(-c2ccc(N)cc2)nc2cccc(Cl)c21 ZINC000037443955 173212409 /nfs/dbraw/zinc/21/24/09/173212409.db2.gz PEVJJDPPTFCLEY-UHFFFAOYSA-N 0 0 271.751 3.959 10 0 CHAERN COC(=O)c1ccc(C)c(NCc2sccc2C)c1 ZINC000037507950 173241822 /nfs/dbraw/zinc/24/18/22/173241822.db2.gz MYRSXOHJGCBLKQ-UHFFFAOYSA-N 0 0 275.373 3.764 10 0 CHAERN C[C@H]1CC(C)(C)C[C@@](O)(Cc2ccccc2F)C1 ZINC000037529920 173252732 /nfs/dbraw/zinc/25/27/32/173252732.db2.gz VJIHMLHHBOPYOA-LRDDRELGSA-N 0 0 250.357 3.946 10 0 CHAERN COc1cccc([C@@](C)(O)c2ccccc2Cl)c1 ZINC000037529235 173252841 /nfs/dbraw/zinc/25/28/41/173252841.db2.gz LVBWFEYZCBGOGI-OAHLLOKOSA-N 0 0 262.736 3.604 10 0 CHAERN COc1cccc([C@](C)(O)c2ccccc2Cl)c1 ZINC000037529236 173253013 /nfs/dbraw/zinc/25/30/13/173253013.db2.gz LVBWFEYZCBGOGI-HNNXBMFYSA-N 0 0 262.736 3.604 10 0 CHAERN COc1cccc([C@](C)(O)CCc2ccccc2)c1 ZINC000037531678 173253232 /nfs/dbraw/zinc/25/32/32/173253232.db2.gz MUDKYTJNAGYNAR-QGZVFWFLSA-N 0 0 256.345 3.536 10 0 CHAERN O[C@@]1(CCc2ccccc2)CCc2ccccc2C1 ZINC000037531682 173253553 /nfs/dbraw/zinc/25/35/53/173253553.db2.gz VGUOLSSYAXKQFI-SFHVURJKSA-N 0 0 252.357 3.539 10 0 CHAERN O[C@@H](Cc1cccc(Cl)c1)Cc1ccccc1F ZINC000037532504 173253859 /nfs/dbraw/zinc/25/38/59/173253859.db2.gz XTADRVFODOYRHM-AWEZNQCLSA-N 0 0 264.727 3.625 10 0 CHAERN CCC(CC)N(C)c1ccc(N)cc1C(F)(F)F ZINC000037754608 173678055 /nfs/dbraw/zinc/67/80/55/173678055.db2.gz QUQJSHJKGHRHQQ-UHFFFAOYSA-N 0 0 260.303 3.912 10 0 CHAERN CNC(=O)c1cc(N[C@@H]2CCC[C@H](C)C2)ccc1Cl ZINC000037778778 173709535 /nfs/dbraw/zinc/70/95/35/173709535.db2.gz QXJNNPFKUZLKSL-WDEREUQCSA-N 0 0 280.799 3.690 10 0 CHAERN Cc1ncc(CNc2cccc3c(O)cccc23)s1 ZINC000037797550 173732403 /nfs/dbraw/zinc/73/24/03/173732403.db2.gz NSHPWDCADSHZMO-UHFFFAOYSA-N 0 0 270.357 3.922 10 0 CHAERN CCC1CCC(Nc2cccc(Cl)c2)(C(N)=O)CC1 ZINC000037942561 173882413 /nfs/dbraw/zinc/88/24/13/173882413.db2.gz RZZYNHFCVWVPEW-UHFFFAOYSA-N 0 0 280.799 3.576 10 0 CHAERN CCCCCC[C@@](C)(Nc1cccc(Cl)c1)C(N)=O ZINC000037942430 173882535 /nfs/dbraw/zinc/88/25/35/173882535.db2.gz CYUUIKNNZUNUHI-OAHLLOKOSA-N 0 0 282.815 3.966 10 0 CHAERN COC(=O)[C@@H](Nc1cccc(C)c1)C1CCCCC1 ZINC000037958148 173900381 /nfs/dbraw/zinc/90/03/81/173900381.db2.gz UWIYVAMIIIRNNO-HNNXBMFYSA-N 0 0 261.365 3.529 10 0 CHAERN Cc1ccc(CN(C(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000037983780 173945135 /nfs/dbraw/zinc/94/51/35/173945135.db2.gz RNPRKVMFOYPUIX-UHFFFAOYSA-N 0 0 283.346 3.939 10 0 CHAERN CCc1c(C)[nH]c2cc(Cl)cc(Cl)c2c1=O ZINC000038005072 173967077 /nfs/dbraw/zinc/96/70/77/173967077.db2.gz NRLAYKIZITYHPY-UHFFFAOYSA-N 0 0 256.132 3.706 10 0 CHAERN Nc1cc(F)c(Sc2ccccc2F)c(F)c1 ZINC000038040402 174040463 /nfs/dbraw/zinc/04/04/63/174040463.db2.gz YNSAXWWTXBILDM-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN O=C(Cn1cc(Cl)cn1)c1ccc(Cl)cc1Cl ZINC000038053814 174065185 /nfs/dbraw/zinc/06/51/85/174065185.db2.gz FDVQHUMKGZTQNI-UHFFFAOYSA-N 0 0 289.549 3.726 10 0 CHAERN CCc1ccc(C(=O)[C@H](C)n2cc(Cl)cn2)cc1 ZINC000038053831 174065338 /nfs/dbraw/zinc/06/53/38/174065338.db2.gz HMOQMGOKEPXZPC-JTQLQIEISA-N 0 0 262.740 3.543 10 0 CHAERN COc1ccc(Cl)cc1COc1ccccc1N ZINC000038055922 174067157 /nfs/dbraw/zinc/06/71/57/174067157.db2.gz QUNOXHFXNCIUSY-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN COc1ccc(-c2cnc(N)s2)c2ccccc12 ZINC000038069375 174081008 /nfs/dbraw/zinc/08/10/08/174081008.db2.gz BEENXELFHPPLLF-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN C[C@H](Nc1nc2ccccc2o1)c1ccccc1N ZINC000038074706 174084629 /nfs/dbraw/zinc/08/46/29/174084629.db2.gz UHNDTZBWJULCNH-JTQLQIEISA-N 0 0 253.305 3.583 10 0 CHAERN Cc1cc(C)cc(C[C@]2(O)CCc3ccccc32)c1 ZINC000038077053 174087406 /nfs/dbraw/zinc/08/74/06/174087406.db2.gz IRFSTEQEKDRLTH-GOSISDBHSA-N 0 0 252.357 3.680 10 0 CHAERN Cc1cc(C)cc(COc2ccccc2[C@@H](C)O)c1 ZINC000038076903 174087662 /nfs/dbraw/zinc/08/76/62/174087662.db2.gz KJQVEFFEDKXQPB-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN COc1ccc(Cl)cc1C(=O)Cc1cccc(F)c1 ZINC000038126702 174131348 /nfs/dbraw/zinc/13/13/48/174131348.db2.gz PTSKGXBFMJHXSM-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN O=C(Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038126782 174131377 /nfs/dbraw/zinc/13/13/77/174131377.db2.gz PRDPIOBHTBCCHP-UHFFFAOYSA-N 0 0 250.219 3.529 10 0 CHAERN Nc1cccc(-c2nc3cc(Br)ccc3o2)c1 ZINC000038683326 174152366 /nfs/dbraw/zinc/15/23/66/174152366.db2.gz GPOADPDDYGWGCL-UHFFFAOYSA-N 0 0 289.132 3.840 10 0 CHAERN O=C(Nc1cccc2scnc21)c1ccccc1 ZINC000039073252 174162494 /nfs/dbraw/zinc/16/24/94/174162494.db2.gz ZOCOVXQFVIFRAX-UHFFFAOYSA-N 0 0 254.314 3.549 10 0 CHAERN Nc1ccccc1-c1nccc2c3ccccc3[nH]c21 ZINC000039080184 174163262 /nfs/dbraw/zinc/16/32/62/174163262.db2.gz RYXOIUSDUPWQOY-UHFFFAOYSA-N 0 0 259.312 3.965 10 0 CHAERN O=C1O[C@H](c2ccccc2)[C@@H]2c3ccsc3CCN12 ZINC000039136205 174164140 /nfs/dbraw/zinc/16/41/40/174164140.db2.gz XMZXCFPRPRNQAV-UONOGXRCSA-N 0 0 271.341 3.539 10 0 CHAERN CCSc1nn2cc(-c3ccc(C)cc3)nc2s1 ZINC000039239035 174166808 /nfs/dbraw/zinc/16/68/08/174166808.db2.gz QYYHVHRSCXSOSR-UHFFFAOYSA-N 0 0 275.402 3.878 10 0 CHAERN CCOc1cc2cc([C@H](C)O)c(Cl)nc2cc1OCC ZINC000039630369 174170999 /nfs/dbraw/zinc/17/09/99/174170999.db2.gz AHLXZNWPKOXMGW-VIFPVBQESA-N 0 0 295.766 3.739 10 0 CHAERN COc1ccc(Oc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000040179188 174203262 /nfs/dbraw/zinc/20/32/62/174203262.db2.gz FTVJZAKXGFRMQP-UHFFFAOYSA-N 0 0 285.343 3.626 10 0 CHAERN CCc1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000040227368 174208786 /nfs/dbraw/zinc/20/87/86/174208786.db2.gz CDWBVCONGXPMCF-UHFFFAOYSA-N 0 0 280.371 3.986 10 0 CHAERN CCOc1ccc([C@@H](O)c2cccs2)cc1OCC ZINC000040247510 174215157 /nfs/dbraw/zinc/21/51/57/174215157.db2.gz HJQNUUFHWSIISG-OAHLLOKOSA-N 0 0 278.373 3.627 10 0 CHAERN Nc1ccsc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040297157 174224691 /nfs/dbraw/zinc/22/46/91/174224691.db2.gz FWPQAZRKPNSQOI-UHFFFAOYSA-N 0 0 286.278 3.601 10 0 CHAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1ccc(C)cc1 ZINC000040354277 174245507 /nfs/dbraw/zinc/24/55/07/174245507.db2.gz WFAZCVSGGLUVNM-MRXNPFEDSA-N 0 0 283.371 3.926 10 0 CHAERN CSc1ccc(-c2noc(-c3ccccc3N)n2)cc1 ZINC000040541750 174322802 /nfs/dbraw/zinc/32/28/02/174322802.db2.gz DQIVUAMUXYJIQF-UHFFFAOYSA-N 0 0 283.356 3.708 10 0 CHAERN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1c1n[nH]c(=S)[nH]1 ZINC000040541895 174322882 /nfs/dbraw/zinc/32/28/82/174322882.db2.gz FUERWRKUCNGWOI-UJURSFKZSA-N 0 0 264.181 3.526 10 0 CHAERN CC(C)c1ccc(Oc2ncnc(Cl)c2N)cc1 ZINC000040571731 174338513 /nfs/dbraw/zinc/33/85/13/174338513.db2.gz RXQKGVHARDRTFR-UHFFFAOYSA-N 0 0 263.728 3.628 10 0 CHAERN CCc1ccc(Nc2ncnc(NC(C)(C)C)c2N)cc1 ZINC000040680377 174374704 /nfs/dbraw/zinc/37/47/04/174374704.db2.gz SEIJAMNRPUFURX-UHFFFAOYSA-N 0 0 285.395 3.575 10 0 CHAERN CC(C)(C)Nc1ncnc(NCCC2=CCCCC2)c1N ZINC000040680523 174374810 /nfs/dbraw/zinc/37/48/10/174374810.db2.gz GEMIPRNOHJLRAZ-UHFFFAOYSA-N 0 0 289.427 3.572 10 0 CHAERN Cc1ccc(Oc2ncnc(NC(C)(C)C)c2N)cc1C ZINC000040680748 174375326 /nfs/dbraw/zinc/37/53/26/174375326.db2.gz VTLQIJBYGSHFME-UHFFFAOYSA-N 0 0 286.379 3.678 10 0 CHAERN CCCNc1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703540 174378803 /nfs/dbraw/zinc/37/88/03/174378803.db2.gz UABJXYIEIFQQKG-UHFFFAOYSA-N 0 0 291.786 3.586 10 0 CHAERN CCC(=O)Oc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000040889903 174428720 /nfs/dbraw/zinc/42/87/20/174428720.db2.gz XZFHHSZHHKOUET-UHFFFAOYSA-N 0 0 297.354 3.871 10 0 CHAERN CCCCOc1ccccc1/C=C/C(=O)N(CC)CC ZINC000040944075 174437682 /nfs/dbraw/zinc/43/76/82/174437682.db2.gz VEVVNWOXZXRNLN-OUKQBFOZSA-N 0 0 275.392 3.747 10 0 CHAERN CN(CC[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000041145023 174495943 /nfs/dbraw/zinc/49/59/43/174495943.db2.gz FUKLPFHSVZRIPR-MRXNPFEDSA-N 0 0 275.779 3.900 10 0 CHAERN CCOc1ccccc1[C@@H](O)Cc1cccc(C)c1 ZINC000041326722 174523026 /nfs/dbraw/zinc/52/30/26/174523026.db2.gz YFWOHFVRELRKIP-INIZCTEOSA-N 0 0 256.345 3.670 10 0 CHAERN OCc1ccc(-c2ccc(Br)s2)s1 ZINC000041412451 174549756 /nfs/dbraw/zinc/54/97/56/174549756.db2.gz CEBZSPCMGBZHFA-UHFFFAOYSA-N 0 0 275.192 3.731 10 0 CHAERN Cc1c(Br)ccc2c(N)c(Cl)cnc12 ZINC000041702462 174608671 /nfs/dbraw/zinc/60/86/71/174608671.db2.gz OFQCHSVJZJCUDN-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN CC[C@@H](C)[C@H](C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000042551110 174790382 /nfs/dbraw/zinc/79/03/82/174790382.db2.gz NDBKDCOQVBMKQU-SFYZADRCSA-N 0 0 289.206 3.740 10 0 CHAERN CC(C)N(CC(F)(F)F)c1ccc(Cl)cc1N ZINC000042741429 174862857 /nfs/dbraw/zinc/86/28/57/174862857.db2.gz KFJLFBHGLBRWCO-UHFFFAOYSA-N 0 0 266.694 3.699 10 0 CHAERN C/C(=C\c1ccc(SC(F)(F)F)cc1)[N+](=O)[O-] ZINC000042905426 174907711 /nfs/dbraw/zinc/90/77/11/174907711.db2.gz JGVUXLLQUAYEAT-VOTSOKGWSA-N 0 0 263.240 3.936 10 0 CHAERN COc1ccc(NCc2cc(C)cc(C)c2)cc1O ZINC000043393440 175034796 /nfs/dbraw/zinc/03/47/96/175034796.db2.gz UWSHTRDRVSPBDZ-UHFFFAOYSA-N 0 0 257.333 3.630 10 0 CHAERN O[C@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043677473 175088217 /nfs/dbraw/zinc/08/82/17/175088217.db2.gz SGNNJRHWYBQCPB-SCZZXKLOSA-N 0 0 275.211 3.604 10 0 CHAERN CCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000043919314 175125456 /nfs/dbraw/zinc/12/54/56/175125456.db2.gz LKYLOBUGYLMOSS-UHFFFAOYSA-N 0 0 295.338 3.924 10 0 CHAERN O=C(CCCSc1ccccc1)N1CCCCCC1 ZINC000046463017 175396818 /nfs/dbraw/zinc/39/68/18/175396818.db2.gz JLSLBDDDXNQATE-UHFFFAOYSA-N 0 0 277.433 3.962 10 0 CHAERN CCOC(=O)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000047202738 175404739 /nfs/dbraw/zinc/40/47/39/175404739.db2.gz JYQCJHNFTNSFQH-UHFFFAOYSA-N 0 0 252.619 3.536 10 0 CHAERN Cc1ccccc1-c1nnc(-c2ccc(N)c(C)c2)o1 ZINC000058863665 175629891 /nfs/dbraw/zinc/62/98/91/175629891.db2.gz ACKPSQAQADVPMN-UHFFFAOYSA-N 0 0 265.316 3.603 10 0 CHAERN Cc1ccc(/C=C/C(=O)NC(C)(C)C)cc1Cl ZINC000069200393 175821456 /nfs/dbraw/zinc/82/14/56/175821456.db2.gz WTLVFYUNIUHELK-BQYQJAHWSA-N 0 0 251.757 3.576 10 0 CHAERN CCOC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000070237311 175883203 /nfs/dbraw/zinc/88/32/03/175883203.db2.gz XBOQHUOHWMTETA-UHFFFAOYSA-N 0 0 262.136 3.582 10 0 CHAERN COc1ccc(-c2noc(-c3c[nH]c4ccccc43)n2)cc1 ZINC000070458658 175941211 /nfs/dbraw/zinc/94/12/11/175941211.db2.gz UVPGPMOIOVIZNC-UHFFFAOYSA-N 0 0 291.310 3.894 10 0 CHAERN Cc1c(Cl)nnc(NCCC2CCCC2)c1C ZINC000071171417 176052044 /nfs/dbraw/zinc/05/20/44/176052044.db2.gz KGLDZYNJZAPNTL-UHFFFAOYSA-N 0 0 253.777 3.739 10 0 CHAERN Cc1c(C)c(N(C)CC2CCCCC2)nnc1Cl ZINC000071171532 176052080 /nfs/dbraw/zinc/05/20/80/176052080.db2.gz XEMGBTDPRQGWIF-UHFFFAOYSA-N 0 0 267.804 3.763 10 0 CHAERN C[C@@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C(N)=S ZINC000071209593 176081998 /nfs/dbraw/zinc/08/19/98/176081998.db2.gz NZXHMIZEFDUMAA-KCJUWKMLSA-N 0 0 268.813 3.575 10 0 CHAERN C[C@H](Cc1cccs1)n1ccc2c1CCC[C@H]2O ZINC000071271791 176104847 /nfs/dbraw/zinc/10/48/47/176104847.db2.gz UUIBLRHUESTJPO-IAQYHMDHSA-N 0 0 261.390 3.723 10 0 CHAERN C[C@@H]1CCN(Cc2ccccc2)c2ccccc2N1 ZINC000071373302 176138997 /nfs/dbraw/zinc/13/89/97/176138997.db2.gz XNMMBZALYPPNDV-CQSZACIVSA-N 0 0 252.361 3.897 10 0 CHAERN CC(C)(Br)Cc1ccc2c(c1)CCC2 ZINC000071424288 176160711 /nfs/dbraw/zinc/16/07/11/176160711.db2.gz OSOQJLFXVMJLSI-UHFFFAOYSA-N 0 0 253.183 3.891 10 0 CHAERN CC[C@@H](Nc1cnccc1C)c1ccccc1OC ZINC000071413721 176159213 /nfs/dbraw/zinc/15/92/13/176159213.db2.gz TYOAPTJTCOVVFO-CQSZACIVSA-N 0 0 256.349 3.962 10 0 CHAERN Cc1ccc2ccccc2c1C(=O)c1ccccc1N ZINC000071445843 176175228 /nfs/dbraw/zinc/17/52/28/176175228.db2.gz GEARWLGAWLZDJN-UHFFFAOYSA-N 0 0 261.324 3.961 10 0 CHAERN Cc1ccc(C(=O)c2ccc(N)cc2)c2ccccc12 ZINC000071450941 176175373 /nfs/dbraw/zinc/17/53/73/176175373.db2.gz CYVORTMLCRBNEZ-UHFFFAOYSA-N 0 0 261.324 3.961 10 0 CHAERN CC(C)c1cc2nc(C(F)(F)F)cc(Cl)n2n1 ZINC000071466772 176182908 /nfs/dbraw/zinc/18/29/08/176182908.db2.gz XZGBNOWCFVGABH-UHFFFAOYSA-N 0 0 263.650 3.525 10 0 CHAERN COc1cc(Cl)c([C@@H](N)C(F)(F)F)cc1Cl ZINC000071613777 176233029 /nfs/dbraw/zinc/23/30/29/176233029.db2.gz RFYLAQDAZWFCBQ-MRVPVSSYSA-N 0 0 274.069 3.564 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@@]43C)[C@@H]1CCC2=O ZINC000071973153 176305861 /nfs/dbraw/zinc/30/58/61/176305861.db2.gz WPLCXMVUVAWRQC-GPFHPJNKSA-N 0 0 288.431 3.976 10 0 CHAERN Fc1cc(F)cc(-c2cc(Br)ccn2)c1 ZINC000072191824 176336283 /nfs/dbraw/zinc/33/62/83/176336283.db2.gz IQDVNRAILFVKIJ-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN Cc1cc(F)ccc1-c1cc(Br)ccn1 ZINC000072191827 176336308 /nfs/dbraw/zinc/33/63/08/176336308.db2.gz UMGGSEWNJILHTG-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN Fc1ccc(-c2csc(Br)n2)cc1F ZINC000072191790 176336422 /nfs/dbraw/zinc/33/64/22/176336422.db2.gz QYTAWOGKXVXUBH-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN Clc1ccccc1-n1nccc1-c1ccncc1 ZINC000072190551 176336472 /nfs/dbraw/zinc/33/64/72/176336472.db2.gz LXQBUZNRVUPKMG-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Fc1cc(F)cc(-c2cc(Cl)nc(Cl)n2)c1 ZINC000072193240 176336854 /nfs/dbraw/zinc/33/68/54/176336854.db2.gz XGFOGYZXKDVIGH-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN N[C@@H](c1cc(Cl)ccc1Br)C(F)(F)F ZINC000072195864 176338070 /nfs/dbraw/zinc/33/80/70/176338070.db2.gz WKQWTSNHNVIRBN-ZETCQYMHSA-N 0 0 288.494 3.665 10 0 CHAERN Brc1csc(-c2cnc(C3CCC3)nc2)n1 ZINC000072204631 176342243 /nfs/dbraw/zinc/34/22/43/176342243.db2.gz YKCZWWMKSUBYAH-UHFFFAOYSA-N 0 0 296.193 3.630 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000073656940 176484110 /nfs/dbraw/zinc/48/41/10/176484110.db2.gz BYMFPGDPJDOKBL-HIFRSBDPSA-N 0 0 290.407 3.887 10 0 CHAERN CNc1ccc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000075907391 176821823 /nfs/dbraw/zinc/82/18/23/176821823.db2.gz WRVGIRGXLRJGJR-CQSZACIVSA-N 0 0 290.407 3.843 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1C ZINC000078519833 177349517 /nfs/dbraw/zinc/34/95/17/177349517.db2.gz LMEUPVSLUWJDIU-KCQAQPDRSA-N 0 0 260.381 3.544 10 0 CHAERN CC(C)CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000171747882 335077355 /nfs/dbraw/zinc/07/73/55/335077355.db2.gz VJDZZWZEEJHSGP-ZIAGYGMSSA-N 0 0 295.373 3.961 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000171911525 335084446 /nfs/dbraw/zinc/08/44/46/335084446.db2.gz JWTQXZIAPVNQCA-WDEREUQCSA-N 0 0 298.224 3.918 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000171911521 335084518 /nfs/dbraw/zinc/08/45/18/335084518.db2.gz JWTQXZIAPVNQCA-QWRGUYRKSA-N 0 0 298.224 3.918 10 0 CHAERN C[C@@H]1C[C@@H](c2nc(-c3ccon3)no2)CC(C)(C)C1 ZINC000329744109 227934665 /nfs/dbraw/zinc/93/46/65/227934665.db2.gz XPUOTPJMPQMLMU-NXEZZACHSA-N 0 0 261.325 3.654 10 0 CHAERN Clc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114201318 228112884 /nfs/dbraw/zinc/11/28/84/228112884.db2.gz DLBFRBHFOFWPMY-OAHLLOKOSA-N 0 0 275.783 3.790 10 0 CHAERN Clc1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114202220 228112950 /nfs/dbraw/zinc/11/29/50/228112950.db2.gz FBVGHYLZVYIYJH-OAHLLOKOSA-N 0 0 275.783 3.790 10 0 CHAERN FC1(F)CCC[C@@H]([NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206457 228066129 /nfs/dbraw/zinc/06/61/29/228066129.db2.gz DGLLMAQNVMEVIW-OLZOCXBDSA-N 0 0 298.381 3.594 10 0 CHAERN Cc1cc(C)c(NC(=O)N2C[C@@H]3CCC[C@H]32)c(C)c1 ZINC000336183843 228208398 /nfs/dbraw/zinc/20/83/98/228208398.db2.gz VRNQIKJUAJVTTH-UONOGXRCSA-N 0 0 258.365 3.628 10 0 CHAERN Cc1cnc(C2CCN(C(=O)[C@H]3CCC[C@H]3C)CC2)s1 ZINC000336055777 228182821 /nfs/dbraw/zinc/18/28/21/228182821.db2.gz YPCKUAIIFIBASU-RISCZKNCSA-N 0 0 292.448 3.594 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000336241236 228220312 /nfs/dbraw/zinc/22/03/12/228220312.db2.gz SISQSLICKZRIOV-CMPLNLGQSA-N 0 0 263.768 3.618 10 0 CHAERN CN(Cc1ccccc1)c1nc(-c2ccccc2F)no1 ZINC000009726749 260037700 /nfs/dbraw/zinc/03/77/00/260037700.db2.gz JUDJXIZIMBHAMY-UHFFFAOYSA-N 0 0 283.306 3.512 10 0 CHAERN O=C(Nc1ncccc1Cl)[C@@H]1C[C@H]1C1CCCCC1 ZINC000179974581 260085019 /nfs/dbraw/zinc/08/50/19/260085019.db2.gz PNHZVSOSLFYTIP-NWDGAFQWSA-N 0 0 278.783 3.890 10 0 CHAERN CC(=O)c1ccc(N[C@@H]2c3cc(C)ccc3C[C@H]2C)nc1 ZINC000180318818 260098613 /nfs/dbraw/zinc/09/86/13/260098613.db2.gz AAIHANSGCWVFJE-XIKOKIGWSA-N 0 0 280.371 3.938 10 0 CHAERN Cc1cnc([C@@H](C)NCc2c(C)cc(C)cc2C)o1 ZINC000220926490 260141794 /nfs/dbraw/zinc/14/17/94/260141794.db2.gz WJQYCLUMGKKOQB-CQSZACIVSA-N 0 0 258.365 3.759 10 0 CHAERN Cc1nc([C@H](C)NC(=O)NC2(C)CCC(C)CC2)cs1 ZINC000408101166 260230379 /nfs/dbraw/zinc/23/03/79/260230379.db2.gz HTHGOTHGOHTCOG-VTWZXRTESA-N 0 0 295.452 3.781 10 0 CHAERN Nc1cccc(CN2CCCCc3ccccc32)c1 ZINC000088332447 260232429 /nfs/dbraw/zinc/23/24/29/260232429.db2.gz ISDQAJSAGCMONA-UHFFFAOYSA-N 0 0 252.361 3.612 10 0 CHAERN CNC(=O)c1cccc(NCC2CCC(C)CC2)c1C ZINC000089576074 260237776 /nfs/dbraw/zinc/23/77/76/260237776.db2.gz FMMDPYFDNCCIFG-UHFFFAOYSA-N 0 0 274.408 3.593 10 0 CHAERN CC(C)[C@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000126404183 260351372 /nfs/dbraw/zinc/35/13/72/260351372.db2.gz MUAKUVJGSYASCS-JGVFFNPUSA-N 0 0 277.231 3.601 10 0 CHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)OC(C)(C)C)cc1F ZINC000090578937 260369714 /nfs/dbraw/zinc/36/97/14/260369714.db2.gz WIAQSUHMJKKFHQ-RYUDHWBXSA-N 0 0 281.371 3.515 10 0 CHAERN CC1(C)[C@H](Nc2ccc(F)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000085631111 260377066 /nfs/dbraw/zinc/37/70/66/260377066.db2.gz FQKISKVXOKCXPR-BIMULSAOSA-N 0 0 269.747 3.705 10 0 CHAERN COc1ccc([C@@H](C)Nc2ccnc(Cl)c2)c(OC)c1 ZINC000129841569 260390584 /nfs/dbraw/zinc/39/05/84/260390584.db2.gz DRBOHBIODLDCCD-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN CCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151716825 261054317 /nfs/dbraw/zinc/05/43/17/261054317.db2.gz OCTFWQNNROKGBC-CQSZACIVSA-N 0 0 273.376 3.739 10 0 CHAERN CC(C)[C@@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000154442435 261091545 /nfs/dbraw/zinc/09/15/45/261091545.db2.gz QHKQQBNWMUXDQB-GHMZBOCLSA-N 0 0 269.335 3.619 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)c1cccc2cc[nH]c21 ZINC000172979149 261155296 /nfs/dbraw/zinc/15/52/96/261155296.db2.gz ANSDTDJDFHOMPK-KRWDZBQOSA-N 0 0 290.366 3.975 10 0 CHAERN C[C@H](C(=O)N1CCS[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000175375821 261224255 /nfs/dbraw/zinc/22/42/55/261224255.db2.gz PIIKRSWMHYTHNL-KBPBESRZSA-N 0 0 299.439 3.907 10 0 CHAERN O=C(CC1CCCCCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000175607596 261236934 /nfs/dbraw/zinc/23/69/34/261236934.db2.gz LJMYQOQSRSTDRE-CVEARBPZSA-N 0 0 279.424 3.517 10 0 CHAERN CCC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000175677057 261239994 /nfs/dbraw/zinc/23/99/94/261239994.db2.gz DBMFXRHAFUOWIK-OLZOCXBDSA-N 0 0 293.357 3.765 10 0 CHAERN Cc1ccc(NC(=O)N[C@H](C)C(C)C)cc1-c1ncco1 ZINC000161574443 261251672 /nfs/dbraw/zinc/25/16/72/261251672.db2.gz FYLXPHUFICXPLV-GFCCVEGCSA-N 0 0 287.363 3.816 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(C)n1 ZINC000176206817 261270527 /nfs/dbraw/zinc/27/05/27/261270527.db2.gz PZULMOOBEPPHJR-LSDHHAIUSA-N 0 0 272.392 3.853 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000176519583 261292121 /nfs/dbraw/zinc/29/21/21/261292121.db2.gz QNRPTKNFLIVOAY-CUOATXAZSA-N 0 0 263.768 3.563 10 0 CHAERN FC(F)(F)[C@@H]1CCC[C@@H](Nc2ncnc3ncccc32)C1 ZINC000163061362 261304003 /nfs/dbraw/zinc/30/40/03/261304003.db2.gz CKKROACJWNJZJG-NXEZZACHSA-N 0 0 296.296 3.558 10 0 CHAERN Cc1ccc(NCc2nc(-c3ccoc3)no2)cc1C ZINC000105606461 261313282 /nfs/dbraw/zinc/31/32/82/261313282.db2.gz MKOQWACPKJBYOX-UHFFFAOYSA-N 0 0 269.304 3.559 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)CCc1ccccc1 ZINC000176899853 261317524 /nfs/dbraw/zinc/31/75/24/261317524.db2.gz AWXACCKPOJIXSO-CYBMUJFWSA-N 0 0 290.436 3.509 10 0 CHAERN C[C@@H](CNc1ncc(Br)cn1)c1cccs1 ZINC000301347709 261333152 /nfs/dbraw/zinc/33/31/52/261333152.db2.gz HNVPNXUFELTYIK-QMMMGPOBSA-N 0 0 298.209 3.516 10 0 CHAERN CCc1ccc([C@H](C)Nc2nc(C)cnc2C)cc1 ZINC000105665506 261360709 /nfs/dbraw/zinc/36/07/09/261360709.db2.gz IGFBTBPZVCPIPA-LBPRGKRZSA-N 0 0 255.365 3.829 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000178393282 261389152 /nfs/dbraw/zinc/38/91/52/261389152.db2.gz UVZVTQPPZJHGFX-BBRMVZONSA-N 0 0 275.392 3.556 10 0 CHAERN C[C@H]1CN(C(=O)Nc2cccc3ccccc32)CCS1 ZINC000171722223 261478680 /nfs/dbraw/zinc/47/86/80/261478680.db2.gz PFLVVOSEWMNFQQ-LBPRGKRZSA-N 0 0 286.400 3.809 10 0 CHAERN C[C@@H](NC(=O)N(C)[C@H](C)C1(C)CC1)c1ccc(F)c(F)c1 ZINC000176333092 261650128 /nfs/dbraw/zinc/65/01/28/261650128.db2.gz DAFLKROQBFIWJB-GHMZBOCLSA-N 0 0 296.361 3.856 10 0 CHAERN CC[C@H](C)CN(CC)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178442928 261742616 /nfs/dbraw/zinc/74/26/16/261742616.db2.gz BHHJPTYNEDXYNV-ZFWWWQNUSA-N 0 0 290.407 3.588 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000179039991 261765258 /nfs/dbraw/zinc/76/52/58/261765258.db2.gz BJWZIKUBFJAESZ-BMIGLBTASA-N 0 0 286.762 3.540 10 0 CHAERN Cn1c(CSCc2ccc3c(c2)CCC3)nnc1C1CC1 ZINC000179833167 261819352 /nfs/dbraw/zinc/81/93/52/261819352.db2.gz XQBYCBOLPZIVEN-UHFFFAOYSA-N 0 0 299.443 3.615 10 0 CHAERN CC(C)c1nnc(CN[C@@H](C)c2cccc(Cl)c2)o1 ZINC000181418187 261897341 /nfs/dbraw/zinc/89/73/41/261897341.db2.gz KAQOYQIMZZQQRZ-JTQLQIEISA-N 0 0 279.771 3.697 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(CC)cc2)C12CCOCC2 ZINC000186447331 262094026 /nfs/dbraw/zinc/09/40/26/262094026.db2.gz ATCTZLKTPSFGEY-DLBZAZTESA-N 0 0 289.419 3.635 10 0 CHAERN Cc1sc2nc(C)nc(N[C@H](C)C3CC3)c2c1C ZINC000311219158 262212038 /nfs/dbraw/zinc/21/20/38/262212038.db2.gz TYHKFZVDMSCVMP-MRVPVSSYSA-N 0 0 261.394 3.827 10 0 CHAERN Cc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)co1 ZINC000188972906 264260721 /nfs/dbraw/zinc/26/07/21/264260721.db2.gz OIXOAOHIQHQRJN-HNNXBMFYSA-N 0 0 273.307 3.535 10 0 CHAERN C[C@H](Nc1ccccc1OC(F)F)c1cncs1 ZINC000165531858 264391971 /nfs/dbraw/zinc/39/19/71/264391971.db2.gz JCMDGDGGCIFHOY-QMMMGPOBSA-N 0 0 270.304 3.918 10 0 CHAERN C[C@@H](O)[C@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000094654909 265248710 /nfs/dbraw/zinc/24/87/10/265248710.db2.gz HBXUUWIGDZFOJN-ZJUUUORDSA-N 0 0 250.725 3.641 10 0 CHAERN Cc1cccnc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182581533 265970590 /nfs/dbraw/zinc/97/05/90/265970590.db2.gz QREQPBOLMZNGME-DGCLKSJQSA-N 0 0 260.381 3.791 10 0 CHAERN C[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000114400991 266242233 /nfs/dbraw/zinc/24/22/33/266242233.db2.gz LVAZFWRMRZIUNN-CZUORRHYSA-N 0 0 289.423 3.680 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1Oc1ccncc1 ZINC000115002594 267088476 /nfs/dbraw/zinc/08/84/76/267088476.db2.gz JQQVACFLYZEMAS-AWEZNQCLSA-N 0 0 298.386 3.957 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C2(c3cccc(F)c3)CC2)o1 ZINC000115332704 267095452 /nfs/dbraw/zinc/09/54/52/267095452.db2.gz PPALIPWYQRWRQN-LBPRGKRZSA-N 0 0 287.334 3.636 10 0 CHAERN O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1ccco1 ZINC000116043477 267121263 /nfs/dbraw/zinc/12/12/63/267121263.db2.gz TVFKINIIMXTOOI-VIFPVBQESA-N 0 0 265.696 3.503 10 0 CHAERN CC(C)c1nccc(N2CCC[C@H]2c2ccco2)n1 ZINC000116263334 267135220 /nfs/dbraw/zinc/13/52/20/267135220.db2.gz VFNOCABTZPNNDU-LBPRGKRZSA-N 0 0 257.337 3.535 10 0 CHAERN CCC[C@H](CC)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116425381 267152208 /nfs/dbraw/zinc/15/22/08/267152208.db2.gz HWGMAGXHRCBYEA-QWHCGFSZSA-N 0 0 264.369 3.705 10 0 CHAERN Cc1cc(F)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117571213 267216374 /nfs/dbraw/zinc/21/63/74/267216374.db2.gz NIDBIZHMZJAEGX-BZNIZROVSA-N 0 0 285.318 3.637 10 0 CHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000117642963 267217477 /nfs/dbraw/zinc/21/74/77/267217477.db2.gz YHSZRVYVDZQGNR-PIGZYNQJSA-N 0 0 292.338 3.671 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C[C@H]2CCOc3ccccc32)o1 ZINC000117755707 267221428 /nfs/dbraw/zinc/22/14/28/267221428.db2.gz AAFBHKQMQFLZPM-ZIAGYGMSSA-N 0 0 299.370 3.722 10 0 CHAERN CCc1noc([C@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000117893847 267225045 /nfs/dbraw/zinc/22/50/45/267225045.db2.gz LKJLFRGKYQCVGI-NSHDSACASA-N 0 0 289.404 3.544 10 0 CHAERN CCc1nc(NC(=O)N[C@H](C)c2ccc(C)o2)sc1C ZINC000174355446 327642783 /nfs/dbraw/zinc/64/27/83/327642783.db2.gz XZEVXAOVDKOJEN-SECBINFHSA-N 0 0 293.392 3.798 10 0 CHAERN C[C@@H](NC(=O)C1CC(C)C1)c1ccc(Br)cc1 ZINC000531238555 327895278 /nfs/dbraw/zinc/89/52/78/327895278.db2.gz AMBJGJPMSXMTTP-SQLBVSGCSA-N 0 0 296.208 3.672 10 0 CHAERN C[C@H](NC(=O)CC1CCC1)c1ccccc1Br ZINC000173090660 329140156 /nfs/dbraw/zinc/14/01/56/329140156.db2.gz BPRISOLUFMALJB-JTQLQIEISA-N 0 0 296.208 3.817 10 0 CHAERN CCn1ccnc1CSCCCOc1ccccc1 ZINC000175278446 329167232 /nfs/dbraw/zinc/16/72/32/329167232.db2.gz LHZDBTJVFSCXJI-UHFFFAOYSA-N 0 0 276.405 3.605 10 0 CHAERN C[C@@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(Cl)s1 ZINC000048448230 328313302 /nfs/dbraw/zinc/31/33/02/328313302.db2.gz ORNDVAJRZHTFGG-MRVPVSSYSA-N 0 0 298.839 3.950 10 0 CHAERN CCCC1CCC(NC(=O)c2ccc3c(c2)CCN3)CC1 ZINC000049547604 328371364 /nfs/dbraw/zinc/37/13/64/328371364.db2.gz ZAYXRSYNHFEALP-UHFFFAOYSA-N 0 0 286.419 3.743 10 0 CHAERN CCC(CC)S(=O)(=O)Cc1csc(C(C)(C)C)n1 ZINC000102072256 328392677 /nfs/dbraw/zinc/39/26/77/328392677.db2.gz OVEIGKYLNNAUIX-UHFFFAOYSA-N 0 0 289.466 3.544 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)c(F)c(C)c2)o1 ZINC000343175212 328428387 /nfs/dbraw/zinc/42/83/87/328428387.db2.gz FLXWREMIWBNITF-LBPRGKRZSA-N 0 0 275.323 3.835 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114516267 328649119 /nfs/dbraw/zinc/64/91/19/328649119.db2.gz LZRNGAFKNBJGAN-GOEBONIOSA-N 0 0 264.413 3.563 10 0 CHAERN Cc1cccc(CCNC(=O)N[C@H]2CCc3ccccc32)c1 ZINC000109897445 326916564 /nfs/dbraw/zinc/91/65/64/326916564.db2.gz JBKVAWAEBAOHQL-SFHVURJKSA-N 0 0 294.398 3.524 10 0 CHAERN CC1(C)[C@H](Nc2ccccc2OC(F)F)[C@H]2CCO[C@@H]21 ZINC000085630064 326974592 /nfs/dbraw/zinc/97/45/92/326974592.db2.gz HPPLXMLIRAASPY-WQAKAFBOSA-N 0 0 283.318 3.513 10 0 CHAERN CCn1ccnc1CSC/C=C\c1ccccc1 ZINC000255716058 327007085 /nfs/dbraw/zinc/00/70/85/327007085.db2.gz AMGZEECNOOXYNU-TWGQIWQCSA-N 0 0 258.390 3.850 10 0 CHAERN CCc1cc(N[C@@H](C)c2ccccc2C)nc(C)n1 ZINC000088058367 327011563 /nfs/dbraw/zinc/01/15/63/327011563.db2.gz URIFLGUQBXJHSM-LBPRGKRZSA-N 0 0 255.365 3.829 10 0 CHAERN Brc1nc(C2CC2)sc1Br ZINC000072192864 327110052 /nfs/dbraw/zinc/11/00/52/327110052.db2.gz RFOUCKSFANHYMA-UHFFFAOYSA-N 0 0 282.988 3.546 10 0 CHAERN Cc1nc(Cl)ccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000151953658 327242785 /nfs/dbraw/zinc/24/27/85/327242785.db2.gz ZDSUYILSAPQDEI-LBPRGKRZSA-N 0 0 290.750 3.614 10 0 CHAERN CC(C)c1nn(C)cc1N[C@H]1CCc2cc(F)ccc21 ZINC000280954655 327595680 /nfs/dbraw/zinc/59/56/80/327595680.db2.gz UJGDSILSDIJRAE-AWEZNQCLSA-N 0 0 273.355 3.782 10 0 CHAERN O=C(c1cccnc1)c1cccc(OCc2ccccc2)c1 ZINC000309770660 328738649 /nfs/dbraw/zinc/73/86/49/328738649.db2.gz PJULPXPESWFTRX-UHFFFAOYSA-N 0 0 289.334 3.892 10 0 CHAERN CC[C@@H](NC(=O)c1csc(Br)c1)C(C)C ZINC000042550816 328769196 /nfs/dbraw/zinc/76/91/96/328769196.db2.gz NZZSIYYSZYAQKO-SECBINFHSA-N 0 0 290.226 3.675 10 0 CHAERN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1C ZINC000193692182 329060946 /nfs/dbraw/zinc/06/09/46/329060946.db2.gz RLOBKSSULVKBLF-AWEZNQCLSA-N 0 0 295.382 3.997 10 0 CHAERN Cc1cc(C(=O)Nc2cccc(-c3ncon3)c2)sc1C ZINC000170632430 329067470 /nfs/dbraw/zinc/06/74/70/329067470.db2.gz SIOXGRJBPUDYKT-UHFFFAOYSA-N 0 0 299.355 3.667 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987984 329141857 /nfs/dbraw/zinc/14/18/57/329141857.db2.gz NDARXRVZBNSLGU-QWHCGFSZSA-N 0 0 294.358 3.543 10 0 CHAERN CCCCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173425506 329147049 /nfs/dbraw/zinc/14/70/49/329147049.db2.gz SPOWMSHCNYZDHV-CYBMUJFWSA-N 0 0 280.437 3.738 10 0 CHAERN CCC(CC)NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173476995 329147271 /nfs/dbraw/zinc/14/72/71/329147271.db2.gz QIGFGBCHBNGIRU-GFCCVEGCSA-N 0 0 295.452 3.529 10 0 CHAERN Clc1cccc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000173602929 329149831 /nfs/dbraw/zinc/14/98/31/329149831.db2.gz DBQUSQYVKWAYCF-LLVKDONJSA-N 0 0 293.823 3.571 10 0 CHAERN CCSCC[C@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000174275335 329156354 /nfs/dbraw/zinc/15/63/54/329156354.db2.gz KTZJTCUSORSJHN-STQMWFEESA-N 0 0 296.436 3.658 10 0 CHAERN CC1(C)C(C(=O)N2CCC[C@H](c3nccs3)C2)C1(C)C ZINC000174580453 329160099 /nfs/dbraw/zinc/16/00/99/329160099.db2.gz GKQFXCIHDZIRSX-NSHDSACASA-N 0 0 292.448 3.531 10 0 CHAERN CC[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1nccs1 ZINC000175158406 329163575 /nfs/dbraw/zinc/16/35/75/329163575.db2.gz MEAFSONMMHZJRP-GFCCVEGCSA-N 0 0 293.436 3.570 10 0 CHAERN C[C@H](NC(=O)N1CCCC[C@H]1c1cccn1C)C(C)(C)C ZINC000175504886 329169181 /nfs/dbraw/zinc/16/91/81/329169181.db2.gz JQCLAZODCMTDMR-ZFWWWQNUSA-N 0 0 291.439 3.696 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cn2)o1 ZINC000175814666 329172003 /nfs/dbraw/zinc/17/20/03/329172003.db2.gz WABQNIYYDSXADL-SECBINFHSA-N 0 0 279.727 3.519 10 0 CHAERN COc1csc(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000176426285 329175452 /nfs/dbraw/zinc/17/54/52/329175452.db2.gz RXRXBMSWQMGMQW-NSHDSACASA-N 0 0 275.373 3.556 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1cccc(Cl)c1 ZINC000176900180 329179444 /nfs/dbraw/zinc/17/94/44/329179444.db2.gz BNUOZDBHNVLWHH-JTQLQIEISA-N 0 0 296.827 3.902 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176945582 329179956 /nfs/dbraw/zinc/17/99/56/329179956.db2.gz VUQHMARLCFOAHQ-AWEZNQCLSA-N 0 0 292.448 3.738 10 0 CHAERN Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)cnn1C ZINC000177254566 329182577 /nfs/dbraw/zinc/18/25/77/329182577.db2.gz VOGXDCXPCVMSJD-JKSUJKDBSA-N 0 0 297.402 3.594 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(C)sc2C)o1 ZINC000220945553 329204070 /nfs/dbraw/zinc/20/40/70/329204070.db2.gz IXUIWNKWGWVDEB-JTQLQIEISA-N 0 0 250.367 3.512 10 0 CHAERN Cc1scc(C(=O)Nc2cccc(-c3ncon3)c2)c1C ZINC000179893094 329213305 /nfs/dbraw/zinc/21/33/05/329213305.db2.gz CHXNLUYRTRMQMI-UHFFFAOYSA-N 0 0 299.355 3.667 10 0 CHAERN CCC[C@H](C)CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000179967827 329213995 /nfs/dbraw/zinc/21/39/95/329213995.db2.gz ADJFYFPQJLQNAT-QWHCGFSZSA-N 0 0 265.401 3.766 10 0 CHAERN Cc1scc(C(=O)N2CCC[C@@H]2c2ccco2)c1C ZINC000180183640 329218135 /nfs/dbraw/zinc/21/81/35/329218135.db2.gz XVMXWSYPPXCHOF-CYBMUJFWSA-N 0 0 275.373 3.935 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC23CCCCC3)o1 ZINC000180284594 329219443 /nfs/dbraw/zinc/21/94/43/329219443.db2.gz PRCJGYUUMBJFBA-GXTWGEPZSA-N 0 0 276.380 3.671 10 0 CHAERN Cc1cnccc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180303136 329219463 /nfs/dbraw/zinc/21/94/63/329219463.db2.gz KONMQTNQHXKCHI-AAEUAGOBSA-N 0 0 260.381 3.791 10 0 CHAERN CCO[C@@H]1C[C@H](N(C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593409 329221012 /nfs/dbraw/zinc/22/10/12/329221012.db2.gz IDQYUQCUJNIMHD-UONOGXRCSA-N 0 0 294.464 3.621 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000180802408 329226670 /nfs/dbraw/zinc/22/66/70/329226670.db2.gz YPGUVPRKGGDAJR-YNEHKIRRSA-N 0 0 280.437 3.879 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000181188695 329233421 /nfs/dbraw/zinc/23/34/21/329233421.db2.gz NNSQXZIBWZTODM-CMPLNLGQSA-N 0 0 278.396 3.946 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC[C@H](C)OC)o1 ZINC000181541295 329234088 /nfs/dbraw/zinc/23/40/88/329234088.db2.gz UNLSDKGNXOZHOJ-ZFWWWQNUSA-N 0 0 293.407 3.711 10 0 CHAERN CCc1cnccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000182497397 329242654 /nfs/dbraw/zinc/24/26/54/329242654.db2.gz IBHDXEWTWZLIQT-UHFFFAOYSA-N 0 0 292.382 3.574 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2ccoc2)n1 ZINC000183440312 329247793 /nfs/dbraw/zinc/24/77/93/329247793.db2.gz FCGHBJPRIYTIOO-CYBMUJFWSA-N 0 0 267.332 3.947 10 0 CHAERN CCOC(=O)Nc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1 ZINC000321065289 329249141 /nfs/dbraw/zinc/24/91/41/329249141.db2.gz JQMDNLXMLZSUQM-MISXGVKJSA-N 0 0 262.353 3.711 10 0 CHAERN CCc1nc(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000183714236 329249727 /nfs/dbraw/zinc/24/97/27/329249727.db2.gz AUPGAYYCFBTDTG-NEPJUHHUSA-N 0 0 294.464 3.784 10 0 CHAERN Cc1nc(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)sc1C ZINC000184099233 329256484 /nfs/dbraw/zinc/25/64/84/329256484.db2.gz IDGDEGOVSRBLAC-GWCFXTLKSA-N 0 0 294.464 3.839 10 0 CHAERN Cc1cc2occ(C(=O)N3CCS[C@@H](C)C3)c2cc1C ZINC000184410723 329257643 /nfs/dbraw/zinc/25/76/43/329257643.db2.gz BQQYLPVMNPSMOZ-LBPRGKRZSA-N 0 0 289.400 3.627 10 0 CHAERN Cc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)nc1 ZINC000184311211 329258952 /nfs/dbraw/zinc/25/89/52/329258952.db2.gz LBFAXBYCNYJUDH-UHFFFAOYSA-N 0 0 293.370 3.711 10 0 CHAERN CSCc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000184754719 329264019 /nfs/dbraw/zinc/26/40/19/329264019.db2.gz HPEHMTWRCGGRLE-NSHDSACASA-N 0 0 266.410 3.716 10 0 CHAERN CC(C)C[C@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000184768217 329264171 /nfs/dbraw/zinc/26/41/71/329264171.db2.gz WYVXMOCRXNVCPN-HNNXBMFYSA-N 0 0 288.435 3.545 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185432533 329273592 /nfs/dbraw/zinc/27/35/92/329273592.db2.gz SOAXMRQOAIDXDL-YLSINNKHSA-N 0 0 261.365 3.936 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186539511 329345062 /nfs/dbraw/zinc/34/50/62/329345062.db2.gz ZEFCUZJOKXHGTA-FZMZJTMJSA-N 0 0 273.380 3.655 10 0 CHAERN CCC[C@H](CC)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186550626 329345397 /nfs/dbraw/zinc/34/53/97/329345397.db2.gz TXZABAJUDKRRPJ-LBPRGKRZSA-N 0 0 261.369 3.655 10 0 CHAERN Cc1cc(C(=O)N2CC=C(c3cccs3)CC2)co1 ZINC000187097957 329353754 /nfs/dbraw/zinc/35/37/54/329353754.db2.gz MJOSCLIGNSWQGU-UHFFFAOYSA-N 0 0 273.357 3.579 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000187851060 329361116 /nfs/dbraw/zinc/36/11/16/329361116.db2.gz XWOUUOXVAMIBLD-DZKIICNBSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(C)c2)o1 ZINC000063060663 329363529 /nfs/dbraw/zinc/36/35/29/329363529.db2.gz MKMMFLRPGOAKOW-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN Clc1sccc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000188749716 329371009 /nfs/dbraw/zinc/37/10/09/329371009.db2.gz ILMHAKRALGEURU-IEBDPFPHSA-N 0 0 269.797 3.771 10 0 CHAERN CCCCN(CC)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188630446 329371352 /nfs/dbraw/zinc/37/13/52/329371352.db2.gz WTMBXBKEWFGNQC-HNNXBMFYSA-N 0 0 290.407 3.650 10 0 CHAERN CC[C@H](C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000190312917 329394771 /nfs/dbraw/zinc/39/47/71/329394771.db2.gz WMDULPRZEFIHSU-ZDUSSCGKSA-N 0 0 275.367 3.878 10 0 CHAERN CC[C@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190360077 329395458 /nfs/dbraw/zinc/39/54/58/329395458.db2.gz SWBDSNZEFWNXCL-DCAQKATOSA-N 0 0 252.358 3.502 10 0 CHAERN CC(C)CCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190378193 329395579 /nfs/dbraw/zinc/39/55/79/329395579.db2.gz UEIOBXDHGFFKJI-AAEUAGOBSA-N 0 0 266.385 3.577 10 0 CHAERN CSCCCCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190390536 329396249 /nfs/dbraw/zinc/39/62/49/329396249.db2.gz LVTSLCRWHUSUNT-AAEUAGOBSA-N 0 0 298.452 3.674 10 0 CHAERN Cc1cnc([C@H](C)Nc2cc(C)c(Br)cn2)o1 ZINC000235530273 329441249 /nfs/dbraw/zinc/44/12/49/329441249.db2.gz NAEROYOXTUFKTR-VIFPVBQESA-N 0 0 296.168 3.622 10 0 CHAERN CC(C)CCSCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041577 329544337 /nfs/dbraw/zinc/54/43/37/329544337.db2.gz HZLGPPBUCVAGAR-CYBMUJFWSA-N 0 0 281.421 3.722 10 0 CHAERN C[C@H](NC(=O)Nc1ccccc1N(C)C)c1cccs1 ZINC000044082032 329589119 /nfs/dbraw/zinc/58/91/19/329589119.db2.gz FYZGYICTCIAJLS-NSHDSACASA-N 0 0 289.404 3.697 10 0 CHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)C3(C)CC3)C2)n1 ZINC000131011083 329630598 /nfs/dbraw/zinc/63/05/98/329630598.db2.gz POCAJZUOGSKFCH-GFCCVEGCSA-N 0 0 292.448 3.773 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)O1 ZINC000133637434 329654310 /nfs/dbraw/zinc/65/43/10/329654310.db2.gz SHIJMIQRNLMKCG-KCPJHIHWSA-N 0 0 293.794 3.571 10 0 CHAERN C[C@@H](N[C@H](C)c1cccc(Br)c1)c1ncc[nH]1 ZINC000139000727 329678692 /nfs/dbraw/zinc/67/86/92/329678692.db2.gz XSXFNUXZTLEIRJ-NXEZZACHSA-N 0 0 294.196 3.584 10 0 CHAERN CC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1C ZINC000194137829 329685569 /nfs/dbraw/zinc/68/55/69/329685569.db2.gz QAQINAPSQWRSKK-INIZCTEOSA-N 0 0 297.354 3.768 10 0 CHAERN C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccccn1 ZINC000245778197 329747591 /nfs/dbraw/zinc/74/75/91/329747591.db2.gz YKJVBUBMPDIUPE-MCIONIFRSA-N 0 0 274.408 3.721 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000069295151 329854077 /nfs/dbraw/zinc/85/40/77/329854077.db2.gz PECYFCSDKWXEQH-CQSZACIVSA-N 0 0 287.746 3.594 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000070720152 329855665 /nfs/dbraw/zinc/85/56/65/329855665.db2.gz NDRXCZIUNPVTRC-NSHDSACASA-N 0 0 282.343 3.869 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c3ccccc32)o1 ZINC000070720150 329855677 /nfs/dbraw/zinc/85/56/77/329855677.db2.gz NDRXCZIUNPVTRC-LLVKDONJSA-N 0 0 282.343 3.869 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)o1 ZINC000247382175 329880004 /nfs/dbraw/zinc/88/00/04/329880004.db2.gz LMDSZILSNXPTCL-BNOWGMLFSA-N 0 0 261.365 3.552 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3CCCC3)C2)cc1 ZINC000078187617 329947268 /nfs/dbraw/zinc/94/72/68/329947268.db2.gz JSLADQSPYMNHMS-XJKSGUPXSA-N 0 0 287.403 3.590 10 0 CHAERN CCC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187655 329947273 /nfs/dbraw/zinc/94/72/73/329947273.db2.gz GFBJTMOLAKBJES-ZFWWWQNUSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1cc(C(=O)N[C@H](C)C(C)C)c(Cl)cc1F ZINC000161772383 329955071 /nfs/dbraw/zinc/95/50/71/329955071.db2.gz KUIFHEIPCNUELB-SECBINFHSA-N 0 0 257.736 3.562 10 0 CHAERN CCCC[C@H]([NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263435371 330055842 /nfs/dbraw/zinc/05/58/42/330055842.db2.gz UJBWENWELQHCML-BMFZPTHFSA-N 0 0 293.382 3.695 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)C2CCCC2)c2ccccc21 ZINC000162729578 330110634 /nfs/dbraw/zinc/11/06/34/330110634.db2.gz ONYCOOKOJPUQKT-BLLLJJGKSA-N 0 0 257.377 3.931 10 0 CHAERN CC(=O)c1ccccc1NC(=O)[C@H]1CCCCC1(F)F ZINC000327762029 330254390 /nfs/dbraw/zinc/25/43/90/330254390.db2.gz ODKZSWNKOBTJCT-GFCCVEGCSA-N 0 0 281.302 3.653 10 0 CHAERN C[C@@H](Nc1ccc(OC(F)F)cn1)C1CCCC1 ZINC000327941224 330257761 /nfs/dbraw/zinc/25/77/61/330257761.db2.gz XDMKMNZNOCIIKI-SECBINFHSA-N 0 0 256.296 3.674 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC000107537668 330349765 /nfs/dbraw/zinc/34/97/65/330349765.db2.gz SUTBLVAYRKOPMV-ZDUSSCGKSA-N 0 0 278.355 3.967 10 0 CHAERN Cc1ccccc1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000055274694 330364158 /nfs/dbraw/zinc/36/41/58/330364158.db2.gz NPPMUTQOBALDQK-UONOGXRCSA-N 0 0 299.336 3.775 10 0 CHAERN C[C@@H](NC(=O)Cc1ccsc1)c1ccc(F)c(Cl)c1 ZINC000055743309 330366186 /nfs/dbraw/zinc/36/61/86/330366186.db2.gz RRHYQBJFCLLXBY-SECBINFHSA-N 0 0 297.782 3.961 10 0 CHAERN CCc1ccsc1CNc1nc(C(C)C)ns1 ZINC000088290723 330375715 /nfs/dbraw/zinc/37/57/15/330375715.db2.gz OWOPWBXSSUTNRQ-UHFFFAOYSA-N 0 0 267.423 3.898 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2ncccc2Cl)C1 ZINC000088726480 330378570 /nfs/dbraw/zinc/37/85/70/330378570.db2.gz VCUIGYYARJVJRZ-NXEZZACHSA-N 0 0 256.802 3.821 10 0 CHAERN Cc1ccc(Cl)c(N2CCC[C@H](C(=O)C(C)C)C2=O)c1 ZINC000536951312 330382375 /nfs/dbraw/zinc/38/23/75/330382375.db2.gz SGGXWBCECRIVBJ-GFCCVEGCSA-N 0 0 293.794 3.617 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@@H]1CO2 ZINC000536956485 330383240 /nfs/dbraw/zinc/38/32/40/330383240.db2.gz WQFGKTODILHJLP-WBOJAVRRSA-N 0 0 295.423 3.639 10 0 CHAERN O=S1(=Nc2cc(Cl)ccc2Cl)CCCC1 ZINC000536956714 330383295 /nfs/dbraw/zinc/38/32/95/330383295.db2.gz AIXMSXVUHSMYLH-UHFFFAOYSA-N 0 0 264.177 3.887 10 0 CHAERN CCC1CCC(NC(=O)Nc2c(C)nn(CC)c2C)CC1 ZINC000089475038 330385243 /nfs/dbraw/zinc/38/52/43/330385243.db2.gz IVLZHKLZMHTISF-UHFFFAOYSA-N 0 0 292.427 3.610 10 0 CHAERN C[C@@H]1CCC[C@@H](CSCc2nnc(C3CC3)n2C)C1 ZINC000091037393 330397899 /nfs/dbraw/zinc/39/78/99/330397899.db2.gz SYUJRRWRLHTDDL-VXGBXAGGSA-N 0 0 279.453 3.752 10 0 CHAERN CSC1(CNC(=O)N[C@@H](C)c2ccccc2C)CCC1 ZINC000194772531 331044777 /nfs/dbraw/zinc/04/47/77/331044777.db2.gz AXRBPIJEKAXQEH-ZDUSSCGKSA-N 0 0 292.448 3.641 10 0 CHAERN Cc1nc(-c2cccc(N[C@@H]3CCOC[C@@H]3C)c2)cs1 ZINC000194968978 331084406 /nfs/dbraw/zinc/08/44/06/331084406.db2.gz WVEGLPGIJDOFLH-XHDPSFHLSA-N 0 0 288.416 3.955 10 0 CHAERN CCC(=O)Nc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000165483830 331306215 /nfs/dbraw/zinc/30/62/15/331306215.db2.gz RSWWVOQVVMVFPG-JTQLQIEISA-N 0 0 275.377 3.665 10 0 CHAERN C[C@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cncs1 ZINC000165665590 331306257 /nfs/dbraw/zinc/30/62/57/331306257.db2.gz LZBIPOYBONAGIX-VIFPVBQESA-N 0 0 276.361 3.824 10 0 CHAERN CCC(=O)Nc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000165483963 331306271 /nfs/dbraw/zinc/30/62/71/331306271.db2.gz RSWWVOQVVMVFPG-SNVBAGLBSA-N 0 0 275.377 3.665 10 0 CHAERN COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000173766478 332980951 /nfs/dbraw/zinc/98/09/51/332980951.db2.gz GYSGHOVWFRQHCW-KGLIPLIRSA-N 0 0 292.423 3.559 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ncccc2C)cc1F ZINC000176313826 333040813 /nfs/dbraw/zinc/04/08/13/333040813.db2.gz GJUSVCQIZABNMG-LBPRGKRZSA-N 0 0 287.338 3.720 10 0 CHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000178445396 333073135 /nfs/dbraw/zinc/07/31/35/333073135.db2.gz CLKVCWBGPSVLFT-SDDRHHMPSA-N 0 0 280.799 3.841 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1F ZINC000088467465 333089362 /nfs/dbraw/zinc/08/93/62/333089362.db2.gz NUCBBVFMIMPQCL-LLVKDONJSA-N 0 0 297.333 3.501 10 0 CHAERN Cc1csc(N(C)C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000183185520 333119323 /nfs/dbraw/zinc/11/93/23/333119323.db2.gz NCGDYBVJZFEWML-JQWIXIFHSA-N 0 0 280.437 3.877 10 0 CHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(C(F)F)cc1 ZINC000183954878 333123847 /nfs/dbraw/zinc/12/38/47/333123847.db2.gz PZLLJLLBQJTTLR-LLVKDONJSA-N 0 0 299.361 3.786 10 0 CHAERN C[C@@H]1CCCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000184376908 333127906 /nfs/dbraw/zinc/12/79/06/333127906.db2.gz SORONUHBKMRCEB-BNOWGMLFSA-N 0 0 293.357 3.717 10 0 CHAERN COC1(C(=O)N[C@@H](C)c2ccccc2C)CCCCC1 ZINC000184806039 333132326 /nfs/dbraw/zinc/13/23/26/333132326.db2.gz LMEQLAQBBZRXTD-AWEZNQCLSA-N 0 0 275.392 3.522 10 0 CHAERN CCOC1CC(CCNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000190032257 333202035 /nfs/dbraw/zinc/20/20/35/333202035.db2.gz OQFXQWGNJKKDLA-YHNBSYBMSA-N 0 0 295.467 3.770 10 0 CHAERN Cc1ccccc1[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)C(C)C ZINC000191631378 333222557 /nfs/dbraw/zinc/22/25/57/333222557.db2.gz OCTIYJGMTXZDLP-DJIMGWMZSA-N 0 0 289.419 3.623 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N(c1ccccc1)C1CCCC1 ZINC000191899295 333227164 /nfs/dbraw/zinc/22/71/64/333227164.db2.gz YNYNDXZDBDALSR-WMLDXEAASA-N 0 0 287.403 3.777 10 0 CHAERN CCCNc1nccc(Nc2cccc3ccncc32)n1 ZINC000157625455 333247381 /nfs/dbraw/zinc/24/73/81/333247381.db2.gz CEYPZEFLQMQHJJ-UHFFFAOYSA-N 0 0 279.347 3.590 10 0 CHAERN CC(C)=CCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398825 333252030 /nfs/dbraw/zinc/25/20/30/333252030.db2.gz HWQHBYSNHXZYHM-CYBMUJFWSA-N 0 0 294.464 3.780 10 0 CHAERN CCO[C@H](C(=O)N[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000193890851 333260350 /nfs/dbraw/zinc/26/03/50/333260350.db2.gz UPLNQRSAXUQQJM-YJBOKZPZSA-N 0 0 297.398 3.950 10 0 CHAERN Cc1cnc([C@H](C)Nc2ncccc2C(F)(F)F)o1 ZINC000226547968 333264770 /nfs/dbraw/zinc/26/47/70/333264770.db2.gz RLWKRPJWCHQJSV-QMMMGPOBSA-N 0 0 271.242 3.570 10 0 CHAERN CC1(C)[C@H](Nc2cccc(OC(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000227066574 333275334 /nfs/dbraw/zinc/27/53/34/333275334.db2.gz YLKJRBZAYASKEE-YNEHKIRRSA-N 0 0 283.318 3.513 10 0 CHAERN CCn1c(C)nnc1COc1cc(C)ccc1C(C)(C)C ZINC000194692384 333275578 /nfs/dbraw/zinc/27/55/78/333275578.db2.gz MEKTZCAASGBMLE-UHFFFAOYSA-N 0 0 287.407 3.791 10 0 CHAERN CCC1CCC(Nc2nc(C(F)(F)F)ns2)CC1 ZINC000228776149 333296685 /nfs/dbraw/zinc/29/66/85/333296685.db2.gz BLZITTITJXRUMW-UHFFFAOYSA-N 0 0 279.331 3.938 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(C(F)F)cc2)o1 ZINC000231221224 333324403 /nfs/dbraw/zinc/32/44/03/333324403.db2.gz HLZIMPSQKWUYOV-SNVBAGLBSA-N 0 0 266.291 3.771 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1C ZINC000231692037 333328473 /nfs/dbraw/zinc/32/84/73/333328473.db2.gz SNJMJNIWRXYBBT-MFKMUULPSA-N 0 0 296.208 3.676 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)Nc2cccnc2)cc1 ZINC000048388337 333420639 /nfs/dbraw/zinc/42/06/39/333420639.db2.gz JUEIELYDEFOTQX-LBPRGKRZSA-N 0 0 269.348 3.527 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)CCC(C)C)c1 ZINC000037086589 333477163 /nfs/dbraw/zinc/47/71/63/333477163.db2.gz KYOCWENCWLCNIZ-ZDUSSCGKSA-N 0 0 262.397 3.591 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2cccc(F)c2)o1 ZINC000068859852 333735725 /nfs/dbraw/zinc/73/57/25/333735725.db2.gz KIGMCEOUSLLOFS-AAEUAGOBSA-N 0 0 289.350 3.783 10 0 CHAERN CCc1ccc(-c2noc([C@H]3CC[C@H](C)O3)n2)cc1 ZINC000129405082 333761964 /nfs/dbraw/zinc/76/19/64/333761964.db2.gz XRMSYWLIVIBDDG-GXFFZTMASA-N 0 0 258.321 3.539 10 0 CHAERN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000069721851 333785739 /nfs/dbraw/zinc/78/57/39/333785739.db2.gz PJITZTYSDMCYEP-UKRRQHHQSA-N 0 0 271.360 3.959 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000072575107 333943807 /nfs/dbraw/zinc/94/38/07/333943807.db2.gz YQVHVUGRLCFBJS-PXAZEXFGSA-N 0 0 299.345 3.543 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000073434249 333972493 /nfs/dbraw/zinc/97/24/93/333972493.db2.gz PUWZZCGSBSSCKV-STQMWFEESA-N 0 0 285.309 3.846 10 0 CHAERN CC(C)OCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000075723036 334049488 /nfs/dbraw/zinc/04/94/88/334049488.db2.gz YIPKHNSMSLHCQO-CQSZACIVSA-N 0 0 285.387 3.832 10 0 CHAERN Cc1ccccc1[C@@H](C)NC(=O)N1CCCC1(C)C ZINC000077510005 334107170 /nfs/dbraw/zinc/10/71/70/334107170.db2.gz BCVXCBNDPWPECA-CYBMUJFWSA-N 0 0 260.381 3.640 10 0 CHAERN CCN(CC)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000079213171 334150371 /nfs/dbraw/zinc/15/03/71/334150371.db2.gz HULYGXZUKWMGML-SNVBAGLBSA-N 0 0 299.212 3.562 10 0 CHAERN CC(C)(C)[C@@H]1CCCN(C(=O)CNc2ccccc2)CC1 ZINC000079341310 334152038 /nfs/dbraw/zinc/15/20/38/334152038.db2.gz WSEIGVOSCLNUAY-OAHLLOKOSA-N 0 0 288.435 3.773 10 0 CHAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000245497134 334197591 /nfs/dbraw/zinc/19/75/91/334197591.db2.gz SVBJTMRWUPLYKR-BSLXNSKLSA-N 0 0 277.795 3.953 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000246385057 334255206 /nfs/dbraw/zinc/25/52/06/334255206.db2.gz BMEJWLMRXJZBFS-KPXOXKRLSA-N 0 0 281.758 3.702 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1[C@H](C)CC[C@H]1C ZINC000246481344 334259795 /nfs/dbraw/zinc/25/97/95/334259795.db2.gz QQIYYVBNAREINA-MCIONIFRSA-N 0 0 260.381 3.638 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1cccc(Cl)c1 ZINC000246545989 334263995 /nfs/dbraw/zinc/26/39/95/334263995.db2.gz QNRPTKNFLIVOAY-QCZZGDTMSA-N 0 0 263.768 3.563 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000246692453 334267248 /nfs/dbraw/zinc/26/72/48/334267248.db2.gz BWLQGLIZCCYKSK-HZMVEIRTSA-N 0 0 275.436 3.994 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C)cc1 ZINC000246810321 334269877 /nfs/dbraw/zinc/26/98/77/334269877.db2.gz LQEUXZIQFPCVEX-RRQGHBQHSA-N 0 0 271.404 3.924 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)C2CC2)cc1 ZINC000246842193 334270494 /nfs/dbraw/zinc/27/04/94/334270494.db2.gz HNRLNSBZYFTZMG-DQYPLSBCSA-N 0 0 271.404 3.828 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H]1CCC[C@H]1C ZINC000086674150 334314553 /nfs/dbraw/zinc/31/45/53/334314553.db2.gz AKRLPUKSUBDJST-MFKMUULPSA-N 0 0 257.337 3.646 10 0 CHAERN Cc1ccc(Cl)cc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250921973 334353403 /nfs/dbraw/zinc/35/34/03/334353403.db2.gz PKKHOOVRAJDZEF-IACUBPJLSA-N 0 0 265.784 3.874 10 0 CHAERN COC(=O)[C@H](c1ccccc1C)N1CCC[C@@H]1c1ccco1 ZINC000163005079 334390526 /nfs/dbraw/zinc/39/05/26/334390526.db2.gz FWUIIHHFDNEISK-WBVHZDCISA-N 0 0 299.370 3.639 10 0 CHAERN CCC[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000153448997 334604468 /nfs/dbraw/zinc/60/44/68/334604468.db2.gz PGRCECOVQOBMRC-HERUPUMHSA-N 0 0 282.334 3.514 10 0 CHAERN CC(C)n1nccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159042282 334818737 /nfs/dbraw/zinc/81/87/37/334818737.db2.gz SAPODONPIFWFHW-UONOGXRCSA-N 0 0 275.396 3.619 10 0 CHAERN CCCCOC[C@@H](O)CNc1ccc(C2CCC2)cc1 ZINC000576979836 335272422 /nfs/dbraw/zinc/27/24/22/335272422.db2.gz OSHKYXSZEWBIJE-KRWDZBQOSA-N 0 0 277.408 3.544 10 0 CHAERN CC[C@H](CSC)NC(=O)N[C@H]1CCCc2ccccc21 ZINC000181446815 335762352 /nfs/dbraw/zinc/76/23/52/335762352.db2.gz NQSRIVZJGGKODS-HIFRSBDPSA-N 0 0 292.448 3.505 10 0 CHAERN CC(C)OCCCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000182333990 335811090 /nfs/dbraw/zinc/81/10/90/335811090.db2.gz UNWLJLRDQQVXMJ-LSDHHAIUSA-N 0 0 283.456 3.770 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2)[C@H](C)O1 ZINC000384528370 336125226 /nfs/dbraw/zinc/12/52/26/336125226.db2.gz CFSVMTGBIXUJRJ-PTRXPTGYSA-N 0 0 259.271 3.683 10 0 CHAERN CCOC(=O)[C@@H](c1cc(Cl)ccc1OC)C(C)C ZINC000052233240 521086654 /nfs/dbraw/zinc/08/66/54/521086654.db2.gz DYTKMYITYPCBFH-CYBMUJFWSA-N 0 0 270.756 3.651 10 0 CHAERN CCCc1nc(N(CC(C)C)C2CC2)sc1C=O ZINC000054967620 521531476 /nfs/dbraw/zinc/53/14/76/521531476.db2.gz FSVGZYSKIDDWJR-UHFFFAOYSA-N 0 0 266.410 3.533 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000336241239 533884961 /nfs/dbraw/zinc/88/49/61/533884961.db2.gz SISQSLICKZRIOV-ZYHUDNBSSA-N 0 0 263.768 3.618 10 0 CHAERN Cc1cc2c(ccnc2NCC[C@@](C)(O)c2ccccc2)o1 ZINC000302444827 534071589 /nfs/dbraw/zinc/07/15/89/534071589.db2.gz RCEIJWWYNOIZCW-GOSISDBHSA-N 0 0 296.370 3.846 10 0 CHAERN C[C@@H]1CC(c2noc(-c3cnc(C4CC4)nc3)n2)C[C@@H](C)C1 ZINC000333233423 534150640 /nfs/dbraw/zinc/15/06/40/534150640.db2.gz YOOUOJZKSHEJMA-QWRGUYRKSA-N 0 0 298.390 3.944 10 0 CHAERN Cc1cccc(-c2noc(NCCc3ccccc3)n2)c1 ZINC000057354082 518190175 /nfs/dbraw/zinc/19/01/75/518190175.db2.gz BZOGIPNISSNVEM-UHFFFAOYSA-N 0 0 279.343 3.700 10 0 CHAERN Cc1ccoc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157905071 518191441 /nfs/dbraw/zinc/19/14/41/518191441.db2.gz LCHPVSKXWBUHDC-CQSZACIVSA-N 0 0 273.307 3.535 10 0 CHAERN CC(=O)c1cc(F)ccc1Sc1nc(C)cc(C)n1 ZINC000054917831 518289707 /nfs/dbraw/zinc/28/97/07/518289707.db2.gz TUPUBXXZSKSPCQ-UHFFFAOYSA-N 0 0 276.336 3.586 10 0 CHAERN CC(C)(C)c1cc(=S)n(-c2cccc(F)c2)[nH]1 ZINC000052305811 519005783 /nfs/dbraw/zinc/00/57/83/519005783.db2.gz FFQKANNGUFQPRY-UHFFFAOYSA-N 0 0 250.342 3.598 10 0 CHAERN CC(C)(c1nc2c(s1)C(=O)CCC2)c1ccccc1 ZINC000062773632 519381617 /nfs/dbraw/zinc/38/16/17/519381617.db2.gz XXQMLRIYIFUBGM-UHFFFAOYSA-N 0 0 271.385 3.988 10 0 CHAERN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000138970051 519763676 /nfs/dbraw/zinc/76/36/76/519763676.db2.gz AAIOJBBRJLBBHR-ZIAGYGMSSA-N 0 0 287.407 3.856 10 0 CHAERN CC(C)OCCOc1c(Cl)cc(Cl)cc1C=O ZINC000049259687 519768889 /nfs/dbraw/zinc/76/88/89/519768889.db2.gz VPXNWAUKYOOBRT-UHFFFAOYSA-N 0 0 277.147 3.610 10 0 CHAERN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000155431745 519777632 /nfs/dbraw/zinc/77/76/32/519777632.db2.gz FQQLTCWHFMFNCX-GWCFXTLKSA-N 0 0 297.782 3.633 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)C2CCC(O)CC2)cc1 ZINC000194025916 519839209 /nfs/dbraw/zinc/83/92/09/519839209.db2.gz DGAPRUXESYAENY-NVPAJSRCSA-N 0 0 289.419 3.538 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)C2CCC(O)CC2)cc1 ZINC000194025928 519839787 /nfs/dbraw/zinc/83/97/87/519839787.db2.gz DGAPRUXESYAENY-IGEOTXOUSA-N 0 0 289.419 3.538 10 0 CHAERN CC(C)c1ccccc1N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634838 519847020 /nfs/dbraw/zinc/84/70/20/519847020.db2.gz SRUSJUZWJMOQTD-KGLIPLIRSA-N 0 0 295.448 3.578 10 0 CHAERN CCC1CCC(N(C)c2ccc(CO)cc2C)CC1 ZINC000050561077 519853998 /nfs/dbraw/zinc/85/39/98/519853998.db2.gz VOMYTRIBLUHGBP-UHFFFAOYSA-N 0 0 261.409 3.892 10 0 CHAERN CCC1CCC(Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000036982331 519857238 /nfs/dbraw/zinc/85/72/38/519857238.db2.gz WLNOJXMDVVAVFH-UHFFFAOYSA-N 0 0 295.448 3.861 10 0 CHAERN CC(C)c1csc([C@H]2CCCN(Cc3ccon3)C2)n1 ZINC000127741274 519857310 /nfs/dbraw/zinc/85/73/10/519857310.db2.gz MCMPSJYIPFWNMG-LBPRGKRZSA-N 0 0 291.420 3.634 10 0 CHAERN CCCC1CCN(c2cccc(Cl)c2CO)CC1 ZINC000050894068 519904401 /nfs/dbraw/zinc/90/44/01/519904401.db2.gz FKJPPAMMJVILIK-UHFFFAOYSA-N 0 0 267.800 3.849 10 0 CHAERN CC(C)n1c2ccccc2nc1Cc1ccccc1N ZINC000053200457 519927610 /nfs/dbraw/zinc/92/76/10/519927610.db2.gz FSXHSZARQGPNAV-UHFFFAOYSA-N 0 0 265.360 3.790 10 0 CHAERN CCCCCCOc1ccc(C(=O)OCC)cc1OC ZINC000062170303 520106563 /nfs/dbraw/zinc/10/65/63/520106563.db2.gz UQKSMROIAYMCHW-UHFFFAOYSA-N 0 0 280.364 3.831 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)N(C)[C@@H](C)CC ZINC000053000895 520152160 /nfs/dbraw/zinc/15/21/60/520152160.db2.gz HYHANQMXIRNPIC-ZDUSSCGKSA-N 0 0 262.397 3.687 10 0 CHAERN CCCCCN(C)c1nc(Cl)nc2ccccc21 ZINC000052811479 520155388 /nfs/dbraw/zinc/15/53/88/520155388.db2.gz RYROLOVXQUCDNW-UHFFFAOYSA-N 0 0 263.772 3.910 10 0 CHAERN CCCNc1nc(CC(F)(F)F)nc(C)c1C(C)C ZINC000061687478 520187921 /nfs/dbraw/zinc/18/79/21/520187921.db2.gz PIENJQXOKOGPLK-UHFFFAOYSA-N 0 0 275.318 3.835 10 0 CHAERN CCCNc1nc2c(cccc2COC)cc1CC ZINC000063118861 520188375 /nfs/dbraw/zinc/18/83/75/520188375.db2.gz LRYCSFOJBFTEKD-UHFFFAOYSA-N 0 0 258.365 3.766 10 0 CHAERN CCNc1cc(C)nc(-c2cc(Br)cs2)n1 ZINC000050864575 520269056 /nfs/dbraw/zinc/26/90/56/520269056.db2.gz MFIDCQUZJUDOLI-UHFFFAOYSA-N 0 0 298.209 3.708 10 0 CHAERN CCCCC[C@@H](/C=C/n1ccnc1)OC(=O)c1cccnc1 ZINC000005114640 520274057 /nfs/dbraw/zinc/27/40/57/520274057.db2.gz KDFWKXZFYSRQSX-KXKDPZRNSA-N 0 0 299.374 3.555 10 0 in-man CHAERN CCCCN(C(=O)c1ccc(NC)cc1)[C@H](C)CC ZINC000050791514 520360122 /nfs/dbraw/zinc/36/01/22/520360122.db2.gz JLHWDGPYQHWZLI-CYBMUJFWSA-N 0 0 262.397 3.769 10 0 CHAERN CC1(C)C[C@@H](NCc2cscn2)c2ccccc2O1 ZINC000126886439 520524275 /nfs/dbraw/zinc/52/42/75/520524275.db2.gz ZYNCLJDAHHZRDV-CYBMUJFWSA-N 0 0 274.389 3.535 10 0 CHAERN CC1(C)[C@H](Nc2cccc(OC(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000085633077 520673911 /nfs/dbraw/zinc/67/39/11/520673911.db2.gz YLKJRBZAYASKEE-XQQFMLRXSA-N 0 0 283.318 3.513 10 0 CHAERN CCC[C@@H](C)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852361 520675675 /nfs/dbraw/zinc/67/56/75/520675675.db2.gz AUJLYQMFIMNBKI-MRVPVSSYSA-N 0 0 271.286 3.998 10 0 CHAERN CCC[C@@H](CC)NC(=O)c1cc(Cl)ccc1NC ZINC000050771541 520684234 /nfs/dbraw/zinc/68/42/34/520684234.db2.gz AYMLPHOLDYLEJE-LLVKDONJSA-N 0 0 268.788 3.690 10 0 CHAERN CCCCOc1ccccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189843880 520915340 /nfs/dbraw/zinc/91/53/40/520915340.db2.gz DZDHTHLMAVPYOQ-KBPBESRZSA-N 0 0 291.391 3.619 10 0 CHAERN CCN(CC)c1ncc(CN[C@@H](C)c2ccc(C)o2)s1 ZINC000037280519 520933106 /nfs/dbraw/zinc/93/31/06/520933106.db2.gz GYLZKGXNGWFVRJ-LBPRGKRZSA-N 0 0 293.436 3.742 10 0 CHAERN CCOc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000062165893 520957052 /nfs/dbraw/zinc/95/70/52/520957052.db2.gz WUWNHHKNVNESDP-QGZVFWFLSA-N 0 0 256.345 3.752 10 0 CHAERN CCCC[C@@H](C)NC(=O)C(CCC)(CCC)C(N)=S ZINC000050889602 521003318 /nfs/dbraw/zinc/00/33/18/521003318.db2.gz LAQXPAKFFQHLPJ-GFCCVEGCSA-N 0 0 286.485 3.554 10 0 CHAERN CCC[C@](C)([NH2+][C@H](c1cccs1)C(C)C)C(=O)[O-] ZINC000049562249 521285128 /nfs/dbraw/zinc/28/51/28/521285128.db2.gz DSVJVBMYOZXCIU-JSGCOSHPSA-N 0 0 269.410 3.678 10 0 CHAERN CCN(Cc1cc(F)ccc1F)c1ccccc1N ZINC000050454286 521293880 /nfs/dbraw/zinc/29/38/80/521293880.db2.gz UIDZJZFZYXUSRN-UHFFFAOYSA-N 0 0 262.303 3.574 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2cccs2)[nH]1 ZINC000088398780 521301510 /nfs/dbraw/zinc/30/15/10/521301510.db2.gz XTFLMRKZEQYCAJ-UHFFFAOYSA-N 0 0 283.828 3.757 10 0 CHAERN CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C(=O)[O-] ZINC000061219697 521307236 /nfs/dbraw/zinc/30/72/36/521307236.db2.gz HALQZDLXZBFDER-VIFPVBQESA-N 0 0 290.190 3.536 10 0 CHAERN CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188172179 521382423 /nfs/dbraw/zinc/38/24/23/521382423.db2.gz KUTXTCAJFXHPGX-GXTWGEPZSA-N 0 0 295.810 3.504 10 0 CHAERN CCOc1cccc(Oc2ccc([C@@H](C)O)cc2)c1 ZINC000051846762 521403720 /nfs/dbraw/zinc/40/37/20/521403720.db2.gz YTHNPGWVVSGIRD-GFCCVEGCSA-N 0 0 258.317 3.931 10 0 CHAERN CCCc1ccccc1-n1cnc2cc(N)ccc21 ZINC000052854892 521429996 /nfs/dbraw/zinc/42/99/96/521429996.db2.gz DIFMTPSPDBKEKX-UHFFFAOYSA-N 0 0 251.333 3.560 10 0 CHAERN CCC(CC)(c1ccccc1)[C@H](O)CCCOC ZINC000062783547 521480045 /nfs/dbraw/zinc/48/00/45/521480045.db2.gz LTLMOVBQUHIUBK-OAHLLOKOSA-N 0 0 250.382 3.532 10 0 CHAERN CCN(c1nc(C)c([C@@H](C)O)s1)c1ccc(C)cc1 ZINC000054927829 521506165 /nfs/dbraw/zinc/50/61/65/521506165.db2.gz JAXLOYQDNBYLTG-GFCCVEGCSA-N 0 0 276.405 3.971 10 0 CHAERN CC[C@H](C)Oc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000048264660 521769191 /nfs/dbraw/zinc/76/91/91/521769191.db2.gz CUCJEDSSOWTZKZ-ZETCQYMHSA-N 0 0 277.311 3.517 10 0 CHAERN COc1c(C)ccc(N[C@@H](C)c2cn(C)nc2C)c1C ZINC000087408535 521806465 /nfs/dbraw/zinc/80/64/65/521806465.db2.gz MXGJRAHPTRSMTJ-LBPRGKRZSA-N 0 0 273.380 3.527 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2cccs2)c1 ZINC000037086629 521807752 /nfs/dbraw/zinc/80/77/52/521807752.db2.gz SMYQFVAXEVFCFW-LLVKDONJSA-N 0 0 274.389 3.589 10 0 CHAERN CC[C@@H](C)N(CC)c1nnc(Cl)c2ccccc21 ZINC000050529274 522085986 /nfs/dbraw/zinc/08/59/86/522085986.db2.gz NJJYRASZHUCJOE-SNVBAGLBSA-N 0 0 263.772 3.908 10 0 CHAERN CC[C@@H](C)[C@H](C)Nc1cc(Cl)ccc1C(N)=S ZINC000062788232 522362575 /nfs/dbraw/zinc/36/25/75/522362575.db2.gz JPFOIKCFLNERHH-BDAKNGLRSA-N 0 0 270.829 3.821 10 0 CHAERN CN[C@@H](c1ccccc1F)c1ccccc1Br ZINC000052898276 522371549 /nfs/dbraw/zinc/37/15/49/522371549.db2.gz HVQLFAFFUZIIJZ-CQSZACIVSA-N 0 0 294.167 3.897 10 0 CHAERN COC[C@H](C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000103391315 522554098 /nfs/dbraw/zinc/55/40/98/522554098.db2.gz ORUFNPYWIDXWPP-NSHDSACASA-N 0 0 275.373 3.636 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000103392813 522555466 /nfs/dbraw/zinc/55/54/66/522555466.db2.gz HZJAJISTUQDKJZ-NSHDSACASA-N 0 0 281.421 3.798 10 0 CHAERN COc1cc(F)c(C(=O)C2CCCCC2)cc1OC ZINC000061559935 522560998 /nfs/dbraw/zinc/56/09/98/522560998.db2.gz YSNYXLXFEQZBGQ-UHFFFAOYSA-N 0 0 266.312 3.606 10 0 CHAERN CNc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000050728016 522597401 /nfs/dbraw/zinc/59/74/01/522597401.db2.gz CUUAILMCZMLNFL-UHFFFAOYSA-N 0 0 254.333 3.597 10 0 CHAERN CNc1ccc(CSc2ccc3c(c2)CCC3)cn1 ZINC000050837827 522612823 /nfs/dbraw/zinc/61/28/23/522612823.db2.gz JGKVAZOGTKZZIY-UHFFFAOYSA-N 0 0 270.401 3.904 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)C[C@@H]1C ZINC000051752038 522626653 /nfs/dbraw/zinc/62/66/53/522626653.db2.gz JEXUPQFBZWGIBS-MNOVXSKESA-N 0 0 280.799 3.642 10 0 CHAERN CNc1nc(-c2ccc(F)c(Cl)c2)nc(C)c1C ZINC000062793292 522674513 /nfs/dbraw/zinc/67/45/13/522674513.db2.gz LMVIBCWGXINBJW-UHFFFAOYSA-N 0 0 265.719 3.595 10 0 CHAERN CNc1nc(COCCCC(C)C)nc2sccc21 ZINC000050832330 522683310 /nfs/dbraw/zinc/68/33/10/522683310.db2.gz SBFCRRPLVVZITC-UHFFFAOYSA-N 0 0 279.409 3.686 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1cccnc1Cl ZINC000070166736 523048090 /nfs/dbraw/zinc/04/80/90/523048090.db2.gz WVOOJPGHCWYROQ-JQWIXIFHSA-N 0 0 267.756 3.861 10 0 CHAERN CC[C@H]1CCCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000055003397 523093802 /nfs/dbraw/zinc/09/38/02/523093802.db2.gz RWYUONVIHYLNSL-NSHDSACASA-N 0 0 282.453 3.559 10 0 CHAERN CC[C@H]1CCCN(c2nnc(Cl)c3ccccc32)C1 ZINC000050529498 523095721 /nfs/dbraw/zinc/09/57/21/523095721.db2.gz HWVXGXVKYXLAIT-NSHDSACASA-N 0 0 275.783 3.910 10 0 CHAERN COCCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000120755384 523101504 /nfs/dbraw/zinc/10/15/04/523101504.db2.gz GVPURJWFPKPIJP-CQSZACIVSA-N 0 0 285.387 3.834 10 0 CHAERN CC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000062753597 523199114 /nfs/dbraw/zinc/19/91/14/523199114.db2.gz WCPSOKBKAQYGSL-XDQVBPFNSA-N 0 0 269.429 3.632 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OC(=O)c1cccnc1Cl ZINC000070166735 523200249 /nfs/dbraw/zinc/20/02/49/523200249.db2.gz WVOOJPGHCWYROQ-PWSUYJOCSA-N 0 0 267.756 3.861 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061518611 523200797 /nfs/dbraw/zinc/20/07/97/523200797.db2.gz MTOKIJMCEOKUIQ-SFYZADRCSA-N 0 0 275.183 3.559 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1cc(C)nc(Cl)n1 ZINC000052813858 523228136 /nfs/dbraw/zinc/22/81/36/523228136.db2.gz FJODYUXAZJIPFM-GHMZBOCLSA-N 0 0 254.761 3.786 10 0 CHAERN CN(Cc1cccs1)c1nnc(Cl)c2ccccc21 ZINC000050529389 523450132 /nfs/dbraw/zinc/45/01/32/523450132.db2.gz DZUZJHIKUSUSCM-UHFFFAOYSA-N 0 0 289.791 3.981 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1 ZINC000054108088 523571979 /nfs/dbraw/zinc/57/19/79/523571979.db2.gz ZTLSDCVFOKHURV-JKSUJKDBSA-N 0 0 256.349 3.604 10 0 CHAERN CCc1ccc(CC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000156201117 523905399 /nfs/dbraw/zinc/90/53/99/523905399.db2.gz GAZBXPTYWPOJNM-INIZCTEOSA-N 0 0 283.371 3.748 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccccn2)o1 ZINC000128315029 524053332 /nfs/dbraw/zinc/05/33/32/524053332.db2.gz RFTROKXDWOJWEI-OAHLLOKOSA-N 0 0 284.359 3.604 10 0 CHAERN C[C@H]1CCCN1c1nc(-c2ccccc2)c(C=O)s1 ZINC000054966980 524123086 /nfs/dbraw/zinc/12/30/86/524123086.db2.gz NVJBABVCRFFSKA-NSHDSACASA-N 0 0 272.373 3.611 10 0 CHAERN COc1ccc(Cl)c2c(=O)c(C(C)C)c(C)[nH]c12 ZINC000061688173 524188555 /nfs/dbraw/zinc/18/85/55/524188555.db2.gz YFUHWTNBYGJTDP-UHFFFAOYSA-N 0 0 265.740 3.622 10 0 CHAERN COc1ccc(Cl)c2c(N)cc(C(C)C)nc12 ZINC000050869648 524188633 /nfs/dbraw/zinc/18/86/33/524188633.db2.gz FUYLPOAZYNQQJF-UHFFFAOYSA-N 0 0 250.729 3.602 10 0 CHAERN Cc1cc(C)c(COC(=O)c2ccc(N)cc2)c(C)c1 ZINC000049860783 524272829 /nfs/dbraw/zinc/27/28/29/524272829.db2.gz LHXJTCXDQNGCIF-UHFFFAOYSA-N 0 0 269.344 3.551 10 0 CHAERN C[C@@H]1CCC[C@@H](SC[C@H](O)c2cccc(N)c2)C1 ZINC000054690625 524320322 /nfs/dbraw/zinc/32/03/22/524320322.db2.gz RKSJPWMPCNUMIC-DFBGVHRSSA-N 0 0 265.422 3.614 10 0 CHAERN C[C@@H]1CCC[C@H](SCC(=O)c2cccn2C)C1 ZINC000054692773 524412954 /nfs/dbraw/zinc/41/29/54/524412954.db2.gz UVJBYBBMYHYSRF-NEPJUHHUSA-N 0 0 251.395 3.520 10 0 CHAERN Cc1cccc(C[C@H](O)Cc2ccc(Cl)s2)c1 ZINC000053786669 524470012 /nfs/dbraw/zinc/47/00/12/524470012.db2.gz UGCFKSJVTJZWNQ-LBPRGKRZSA-N 0 0 266.793 3.856 10 0 CHAERN COc1ccccc1C[C@@H](O)c1cccc(C)c1C ZINC000053329077 524504486 /nfs/dbraw/zinc/50/44/86/524504486.db2.gz KVFCPURCIWTHNE-MRXNPFEDSA-N 0 0 256.345 3.588 10 0 CHAERN COc1ccc(NC2=N[C@@H](CC(C)C)CS2)c(C)c1 ZINC000061568532 524675729 /nfs/dbraw/zinc/67/57/29/524675729.db2.gz PIEOCKDBKRQLMO-LBPRGKRZSA-N 0 0 278.421 3.933 10 0 CHAERN Cc1cccc(N[C@H](CO)c2ccc(F)c(C)c2)c1 ZINC000050559572 524697022 /nfs/dbraw/zinc/69/70/22/524697022.db2.gz RCZIXTKFNWCAOZ-MRXNPFEDSA-N 0 0 259.324 3.588 10 0 CHAERN COc1ccc(N[C@H](C)c2scnc2C)cc1C ZINC000049528622 524710118 /nfs/dbraw/zinc/71/01/18/524710118.db2.gz DBRFLFIXTFWOMJ-LLVKDONJSA-N 0 0 262.378 3.942 10 0 CHAERN COc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000085628510 524711572 /nfs/dbraw/zinc/71/15/72/524711572.db2.gz DHZBFRYIAJCXPR-BPNCWPANSA-N 0 0 281.783 3.574 10 0 CHAERN Cc1ccc(F)cc1-c1nc(C)c(C(C)C)c(N)n1 ZINC000061687296 524837575 /nfs/dbraw/zinc/83/75/75/524837575.db2.gz VZBMHVLBMMCKIE-UHFFFAOYSA-N 0 0 259.328 3.605 10 0 CHAERN Cc1cccc([C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785504 524839642 /nfs/dbraw/zinc/83/96/42/524839642.db2.gz QKRFLOREVFTINE-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1cc(Cl)ccc1-n1ccnc1Br ZINC000057566889 524878421 /nfs/dbraw/zinc/87/84/21/524878421.db2.gz SWAVUGZFKPLTKJ-UHFFFAOYSA-N 0 0 271.545 3.597 10 0 CHAERN Cc1ccc(N(C)CCc2ccccc2N)c(C)c1 ZINC000052918712 524885764 /nfs/dbraw/zinc/88/57/64/524885764.db2.gz HJEPTLQCOMPHHZ-UHFFFAOYSA-N 0 0 254.377 3.565 10 0 CHAERN Cc1ccc(N(C)CCNc2cccc(C)c2)cc1 ZINC000053430215 524886033 /nfs/dbraw/zinc/88/60/33/524886033.db2.gz BKFSNHQBPGEKOV-UHFFFAOYSA-N 0 0 254.377 3.852 10 0 CHAERN Cc1cc(F)ccc1C(=O)c1cc(F)c(F)c(F)c1 ZINC000055200046 524968767 /nfs/dbraw/zinc/96/87/67/524968767.db2.gz BAULJNNSLZMAFW-UHFFFAOYSA-N 0 0 268.209 3.782 10 0 CHAERN Cc1cc(N)c(NC(=O)c2c(F)cccc2Cl)cc1C ZINC000050439048 525033670 /nfs/dbraw/zinc/03/36/70/525033670.db2.gz VWNJGWZFWOCUFC-UHFFFAOYSA-N 0 0 292.741 3.930 10 0 CHAERN COc1ccc([C@@H](O)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000055203824 525209736 /nfs/dbraw/zinc/20/97/36/525209736.db2.gz DSUSHHYEULWCFM-WQGACYEGSA-N 0 0 264.365 3.564 10 0 CHAERN COc1ccc([C@@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791889 525210764 /nfs/dbraw/zinc/21/07/64/525210764.db2.gz YTRSHYWDZDYXCK-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN Cc1ccc(NCCc2cc(F)cc(F)c2)cc1N ZINC000061702014 525278232 /nfs/dbraw/zinc/27/82/32/525278232.db2.gz UKQPJWFEEASZHX-UHFFFAOYSA-N 0 0 262.303 3.510 10 0 CHAERN Cc1ccc(NCCN(C)c2cccc(C)c2)cc1 ZINC000053427714 525279750 /nfs/dbraw/zinc/27/97/50/525279750.db2.gz XUKPFQHTOJBMBK-UHFFFAOYSA-N 0 0 254.377 3.852 10 0 CHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1C1CCC1 ZINC000151595743 525393179 /nfs/dbraw/zinc/39/31/79/525393179.db2.gz UJFGSLXOFLXILA-OKZBNKHCSA-N 0 0 283.415 3.890 10 0 CHAERN CSCCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000131180880 525403851 /nfs/dbraw/zinc/40/38/51/525403851.db2.gz UYLVERLPWMEWEM-ZDUSSCGKSA-N 0 0 265.422 3.706 10 0 CHAERN Cc1cc([C@@H](C)N2[C@@H]3CCC[C@H]2CC(=O)C3)c(C)o1 ZINC000054601208 525444949 /nfs/dbraw/zinc/44/49/49/525444949.db2.gz NKWVDPKTTNVZTK-BNOWGMLFSA-N 0 0 261.365 3.543 10 0 CHAERN Cc1cc([C@@H](O)c2ccc3c(c2)CCC3)ccc1F ZINC000063056589 525484379 /nfs/dbraw/zinc/48/43/79/525484379.db2.gz JWEHECYWMQZIKA-QGZVFWFLSA-N 0 0 256.320 3.705 10 0 CHAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000156597319 525545476 /nfs/dbraw/zinc/54/54/76/525545476.db2.gz WUMCPUAGAYJSLO-KXBFYZLASA-N 0 0 289.382 3.917 10 0 CHAERN Cc1cc2c(nc(C3CCC(C)CC3)nc2N)s1 ZINC000070156257 525625110 /nfs/dbraw/zinc/62/51/10/525625110.db2.gz VUOCZPMEKYWDCL-UHFFFAOYSA-N 0 0 261.394 3.876 10 0 CHAERN C[C@H](Nc1cc(F)c(F)c(F)c1)c1cccc(O)c1 ZINC000061116296 525644572 /nfs/dbraw/zinc/64/45/72/525644572.db2.gz YKFXPXPCMNFNFG-QMMMGPOBSA-N 0 0 267.250 3.983 10 0 CHAERN Cc1cc2ncc([C@@H](C)N[C@@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613772 525681866 /nfs/dbraw/zinc/68/18/66/525681866.db2.gz WIHVFBGDRBENQU-OLZOCXBDSA-N 0 0 298.390 3.659 10 0 CHAERN C[C@H](Nc1ncccc1N)c1cccc(Br)c1 ZINC000049564109 525682707 /nfs/dbraw/zinc/68/27/07/525682707.db2.gz DSLAKGUHNVKTLA-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)o1 ZINC000045767232 525696714 /nfs/dbraw/zinc/69/67/14/525696714.db2.gz XUZDMVUSVGITRW-GXTWGEPZSA-N 0 0 271.360 3.959 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N([C@H](C)C(C)C)C2CC2)o1 ZINC000121326425 525699417 /nfs/dbraw/zinc/69/94/17/525699417.db2.gz VALHDNBIEBFKPW-CHWSQXEVSA-N 0 0 278.396 3.868 10 0 CHAERN C[C@@H](Nc1cccc(Cl)c1C(N)=S)c1ccco1 ZINC000052904902 525718639 /nfs/dbraw/zinc/71/86/39/525718639.db2.gz GPIFSOIIFASKGS-MRVPVSSYSA-N 0 0 280.780 3.740 10 0 CHAERN C[C@@H](Nc1ccnc(Cl)n1)c1ccccc1Cl ZINC000051849908 525721220 /nfs/dbraw/zinc/72/12/20/525721220.db2.gz NIIZKUKHVHVDFJ-MRVPVSSYSA-N 0 0 268.147 3.957 10 0 CHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2csc(C)n2)o1 ZINC000036960571 525742636 /nfs/dbraw/zinc/74/26/36/525742636.db2.gz MGIHWNHEGZINER-VHSXEESVSA-N 0 0 250.367 3.765 10 0 CHAERN Cc1ccc([C@@H](C)Nc2c(F)cc(N)cc2F)o1 ZINC000049194190 525749641 /nfs/dbraw/zinc/74/96/41/525749641.db2.gz MTMRXNYTZWRWAY-MRVPVSSYSA-N 0 0 252.264 3.622 10 0 CHAERN Cc1ccc([C@@H](O)Cc2c(Cl)cccc2Cl)cn1 ZINC000062949633 525782118 /nfs/dbraw/zinc/78/21/18/525782118.db2.gz LTHTVDJYBWTWCU-AWEZNQCLSA-N 0 0 282.170 3.973 10 0 CHAERN C[C@H](O)Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000062771135 525831030 /nfs/dbraw/zinc/83/10/30/525831030.db2.gz CPFXKDLYCKTVMZ-VIFPVBQESA-N 0 0 270.250 3.889 10 0 CHAERN C[C@@H](O)c1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000049549954 525872401 /nfs/dbraw/zinc/87/24/01/525872401.db2.gz LNQRDHAOWCYQBG-MRVPVSSYSA-N 0 0 281.764 3.707 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCO[C@H](C)CC(C)C)o1 ZINC000087104782 525888372 /nfs/dbraw/zinc/88/83/72/525888372.db2.gz XMUOAEJJTWQTAR-KGLIPLIRSA-N 0 0 281.396 3.607 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)o1 ZINC000045767234 525891536 /nfs/dbraw/zinc/89/15/36/525891536.db2.gz XUZDMVUSVGITRW-JSGCOSHPSA-N 0 0 271.360 3.959 10 0 CHAERN Cc1ccc([C@H](C)Nc2cc(C)nc(Cl)n2)o1 ZINC000052814629 525948381 /nfs/dbraw/zinc/94/83/81/525948381.db2.gz SURCNDVUUIZBMJ-VIFPVBQESA-N 0 0 251.717 3.513 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C2CCCC2)o1 ZINC000127693189 525992288 /nfs/dbraw/zinc/99/22/88/525992288.db2.gz ORDMFICQHJJAEF-CQSZACIVSA-N 0 0 261.365 3.832 10 0 CHAERN C[C@@H](c1ccc(Cl)s1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626731 526046316 /nfs/dbraw/zinc/04/63/16/526046316.db2.gz RDRZHJXXZGLKFZ-LPEHRKFASA-N 0 0 269.797 3.658 10 0 CHAERN COc1cccc(C[C@@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791962 526075291 /nfs/dbraw/zinc/07/52/91/526075291.db2.gz UOBVWTNEFVMQNI-OAHLLOKOSA-N 0 0 280.726 3.764 10 0 CHAERN O[C@H](Cc1ccc(F)cc1Cl)c1ccccc1F ZINC000062607429 526295588 /nfs/dbraw/zinc/29/55/88/526295588.db2.gz RLMYQRVGTAMIDY-CQSZACIVSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1cccc(Cl)c1)c1c(F)cccc1F ZINC000062143666 526295978 /nfs/dbraw/zinc/29/59/78/526295978.db2.gz YOBSIMUPQNVJTL-CYBMUJFWSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000049598523 526296038 /nfs/dbraw/zinc/29/60/38/526296038.db2.gz KCZDYYORXQAVON-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN O[C@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062780971 526298552 /nfs/dbraw/zinc/29/85/52/526298552.db2.gz ZCEGXIAYXWZWSR-OAHLLOKOSA-N 0 0 258.386 3.773 10 0 CHAERN Cc1noc(C)c1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125227312 526472169 /nfs/dbraw/zinc/47/21/69/526472169.db2.gz GHWLCJYKIQTQMV-ZUZCIYMTSA-N 0 0 284.359 3.660 10 0 CHAERN Brc1ccc(N[C@@H]2CCc3ccccc32)nc1 ZINC000301331163 526642257 /nfs/dbraw/zinc/64/22/57/526642257.db2.gz AIPNGWWTNMRJDT-CYBMUJFWSA-N 0 0 289.176 3.944 10 0 CHAERN Cc1nc(CC(=O)Cc2c(C)cc(C)cc2C)cs1 ZINC000055294270 526784170 /nfs/dbraw/zinc/78/41/70/526784170.db2.gz RPEFXBWZSUOLCH-UHFFFAOYSA-N 0 0 273.401 3.731 10 0 CHAERN Clc1ccc(-c2csc(-c3nc[nH]n3)n2)cc1Cl ZINC000061844353 526934845 /nfs/dbraw/zinc/93/48/45/526934845.db2.gz WIHROXQWQYXFGX-UHFFFAOYSA-N 0 0 297.170 3.902 10 0 CHAERN Cc1nc(N(C)[C@@H]2CCC[C@H](C)C2)sc1[C@@H](C)O ZINC000054927742 526951560 /nfs/dbraw/zinc/95/15/60/526951560.db2.gz CGDMSWBWPNNCCK-MVWJERBFSA-N 0 0 268.426 3.520 10 0 CHAERN Cc1nc(N)sc1SCc1csc(C(C)C)n1 ZINC000049277030 526960199 /nfs/dbraw/zinc/96/01/99/526960199.db2.gz MYZWPCGQNBTFGN-UHFFFAOYSA-N 0 0 285.463 3.906 10 0 CHAERN O=C1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)c(Cl)c1 ZINC000054603023 527035324 /nfs/dbraw/zinc/03/53/24/527035324.db2.gz MTYGJOSWADBQGX-DTORHVGOSA-N 0 0 270.159 3.694 10 0 CHAERN O=C1N(Cc2ccccc2)[C@@H](c2ccccc2F)C1(F)F ZINC000040539847 527039431 /nfs/dbraw/zinc/03/94/31/527039431.db2.gz WLSOEKHRDZSGKB-AWEZNQCLSA-N 0 0 291.272 3.545 10 0 CHAERN NC(=S)CCCCO[C@@H]1CCCc2ccccc21 ZINC000049583042 527107546 /nfs/dbraw/zinc/10/75/46/527107546.db2.gz VGPUUJDWJDFBBX-CQSZACIVSA-N 0 0 263.406 3.537 10 0 CHAERN O=C(Cc1ccc(Cl)cc1)c1ccc2c(c1)COC2 ZINC000062331316 527224451 /nfs/dbraw/zinc/22/44/51/527224451.db2.gz ATUUJFQMYZTBNI-UHFFFAOYSA-N 0 0 272.731 3.796 10 0 CHAERN Cc1nccc(CNc2ccc3sccc3c2)n1 ZINC000054790343 527341408 /nfs/dbraw/zinc/34/14/08/527341408.db2.gz SMSFHDCLVOKCPN-UHFFFAOYSA-N 0 0 255.346 3.612 10 0 CHAERN Nc1cc(F)cc(N2CCC3(CCCCC3)CC2)c1 ZINC000061819185 527453391 /nfs/dbraw/zinc/45/33/91/527453391.db2.gz JAGWBAIIAZOHRE-UHFFFAOYSA-N 0 0 262.372 3.959 10 0 CHAERN Nc1ccc(F)c(F)c1N[C@@H]1C[C@H]1c1ccccc1 ZINC000053167296 527488073 /nfs/dbraw/zinc/48/80/73/527488073.db2.gz BVAHXROQHSUSHD-GXFFZTMASA-N 0 0 260.287 3.515 10 0 CHAERN Nc1cccc(-c2nc3cccc(Br)c3o2)c1 ZINC000062559959 527511980 /nfs/dbraw/zinc/51/19/80/527511980.db2.gz LGDIXKSMXCIYCO-UHFFFAOYSA-N 0 0 289.132 3.840 10 0 CHAERN Nc1cnn(CCSc2cc(Cl)ccc2Cl)c1 ZINC000050615223 527539156 /nfs/dbraw/zinc/53/91/56/527539156.db2.gz NIZMRSAREZVDOU-UHFFFAOYSA-N 0 0 288.203 3.564 10 0 CHAERN OCCc1csc(Cc2ccc(Cl)cc2Cl)n1 ZINC000049886112 527575944 /nfs/dbraw/zinc/57/59/44/527575944.db2.gz JXLMOKJMKYWNPW-UHFFFAOYSA-N 0 0 288.199 3.576 10 0 CHAERN Nc1onc(-c2cn[nH]c2)c1-c1ccc(Cl)c(Cl)c1 ZINC000062777913 527581879 /nfs/dbraw/zinc/58/18/79/527581879.db2.gz BDELKZKKLOFBSG-UHFFFAOYSA-N 0 0 295.129 3.621 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000087409030 527697711 /nfs/dbraw/zinc/69/77/11/527697711.db2.gz VFPWNVNCYFOVLI-MRVPVSSYSA-N 0 0 299.296 3.642 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000087406515 527700333 /nfs/dbraw/zinc/70/03/33/527700333.db2.gz CJRVSSJDODBQAA-VIFPVBQESA-N 0 0 283.297 3.920 10 0 CHAERN CCCc1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)s1 ZINC000302203503 528771658 /nfs/dbraw/zinc/77/16/58/528771658.db2.gz VZOQCIHLFPQMBH-TUAOUCFPSA-N 0 0 265.426 3.506 10 0 CHAERN COc1ccc2ccc(C(F)(F)C(F)(F)F)nc2c1 ZINC000005738835 567859669 /nfs/dbraw/zinc/85/96/69/567859669.db2.gz FVHNUSYMCLPAIQ-UHFFFAOYSA-N 0 0 277.192 3.898 10 0 CHAERN COc1ccc2c(c1)CCC(c1ccc(O)cc1)=C2 ZINC000004775251 560199929 /nfs/dbraw/zinc/19/99/29/560199929.db2.gz JDCCZPOXMJXBKS-UHFFFAOYSA-N 0 0 252.313 3.888 10 0 in-vitro CHAERN O=C1[C@@H]2[C@@H](C[C@H]2c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000669372340 566949336 /nfs/dbraw/zinc/94/93/36/566949336.db2.gz MKUKVMKYVKARPS-RYQLBKOJSA-N 0 0 295.357 3.588 10 0 CHAERN COc1cccc2oc(-c3cc(O)cc(O)c3)cc21 ZINC000013340662 567019375 /nfs/dbraw/zinc/01/93/75/567019375.db2.gz QVTAJIWJPWMJLB-UHFFFAOYSA-N 0 0 256.257 3.520 10 0 biogenic CHAERN Clc1cccc(Oc2cc(N3CCCC3)ncn2)c1 ZINC000037623445 567069822 /nfs/dbraw/zinc/06/98/22/567069822.db2.gz FWSAHYLDWWWNOX-UHFFFAOYSA-N 0 0 275.739 3.523 10 0 CHAERN Cc1cc(C)n(C(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000048545165 567091248 /nfs/dbraw/zinc/09/12/48/567091248.db2.gz TWUSOCJDRAAORA-UHFFFAOYSA-N 0 0 284.146 3.887 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2C[C@@H]2C2CC2)o1 ZINC000299746877 567149162 /nfs/dbraw/zinc/14/91/62/567149162.db2.gz BNERKZPRJDEXLZ-LOWDOPEQSA-N 0 0 276.380 3.502 10 0 CHAERN Oc1cc2c(Br)cccc2nc1C(F)F ZINC000685963178 567210639 /nfs/dbraw/zinc/21/06/39/567210639.db2.gz ILLXMYMWJWJDKX-UHFFFAOYSA-N 0 0 274.064 3.641 10 0 CHAERN Clc1ccc(Sc2ccnc(NC3CC3)n2)cc1 ZINC000058825554 567217182 /nfs/dbraw/zinc/21/71/82/567217182.db2.gz XGBXFRWXNBUKBF-UHFFFAOYSA-N 0 0 277.780 3.856 10 0 CHAERN Cc1ccc(NC(=S)N[C@@H]2C[C@@H]3C=C[C@H]2C3)c(C)c1 ZINC000000117663 567818706 /nfs/dbraw/zinc/81/87/06/567818706.db2.gz MPMPESDOZVTRHW-VNHYZAJKSA-N 0 0 272.417 3.554 10 0 CHAERN CCOC(C)(OCC)c1cc(Br)cs1 ZINC000001296246 567836984 /nfs/dbraw/zinc/83/69/84/567836984.db2.gz LAYJOETYNFNMAD-UHFFFAOYSA-N 0 0 279.199 3.756 10 0 CHAERN Clc1ccc([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000712590898 567852094 /nfs/dbraw/zinc/85/20/94/567852094.db2.gz OZRLKQYZVZQTLN-JTQLQIEISA-N 0 0 255.795 3.698 10 0 CHAERN CC(C)N1c2ncccc2Sc2ccccc2C1=O ZINC000032917264 567886457 /nfs/dbraw/zinc/88/64/57/567886457.db2.gz PLXFRFLTKATCLS-UHFFFAOYSA-N 0 0 270.357 3.601 10 0 CHAERN Cc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1 ZINC000041066148 567890801 /nfs/dbraw/zinc/89/08/01/567890801.db2.gz MCTDQGVTQVEBDF-UHFFFAOYSA-N 0 0 250.170 3.525 10 0 CHAERN CSc1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000405911503 567892630 /nfs/dbraw/zinc/89/26/30/567892630.db2.gz JUNXRGQLAYYMPT-JXMROGBWSA-N 0 0 250.363 3.763 10 0 CHAERN CCc1cc2nc(C(C)(C)CC)nn2c(Br)c1 ZINC000725247868 567908576 /nfs/dbraw/zinc/90/85/76/567908576.db2.gz BDRKKTJBLBNVRW-UHFFFAOYSA-N 0 0 296.212 3.742 10 0 CHAERN C[Si](C)(C)CCSCc1cn2ccccc2n1 ZINC000725246516 567908582 /nfs/dbraw/zinc/90/85/82/567908582.db2.gz XKDKVUUJHICFFH-UHFFFAOYSA-N 0 0 264.470 3.906 10 0 CHAERN C[C@@H]1C[C@H](C)CN(c2cc(N)ccc2C(F)(F)F)C1 ZINC000725263564 567922949 /nfs/dbraw/zinc/92/29/49/567922949.db2.gz QWHNJGIFFYOGQB-AOOOYVTPSA-N 0 0 272.314 3.770 10 0 CHAERN C[C@H]1C[C@H](C)CN(c2cc(N)ccc2C(F)(F)F)C1 ZINC000725263566 567923006 /nfs/dbraw/zinc/92/30/06/567923006.db2.gz QWHNJGIFFYOGQB-UWVGGRQHSA-N 0 0 272.314 3.770 10 0 CHAERN Cn1cc(C(F)F)c(-c2ccc(Cl)c(F)c2)n1 ZINC000725270401 567924622 /nfs/dbraw/zinc/92/46/22/567924622.db2.gz LXBDRAQZLHYQNN-UHFFFAOYSA-N 0 0 260.646 3.817 10 0 CHAERN Cn1cc(C(F)F)c(-c2cscc2Br)n1 ZINC000725270474 567924632 /nfs/dbraw/zinc/92/46/32/567924632.db2.gz OEEQWFMVUYFSSG-UHFFFAOYSA-N 0 0 293.136 3.849 10 0 CHAERN CCn1cc(C(F)F)c(-c2cc(C)ccc2F)n1 ZINC000725270153 567924656 /nfs/dbraw/zinc/92/46/56/567924656.db2.gz HSXUDDFNTXOVDW-UHFFFAOYSA-N 0 0 254.255 3.955 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2ccc(N)cc2F)n1 ZINC000725270469 567924846 /nfs/dbraw/zinc/92/48/46/567924846.db2.gz OBSNPVYAOYCROB-UHFFFAOYSA-N 0 0 269.270 3.790 10 0 CHAERN CC(C)[NH+](C(C)C)[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000725271486 567925100 /nfs/dbraw/zinc/92/51/00/567925100.db2.gz NRYHJZQCGXZFTQ-IJLUTSLNSA-N 0 0 295.345 3.537 10 0 CHAERN C[C@H]1CCn2cc(-c3ccc(Br)s3)nc2C1 ZINC000258628902 567930932 /nfs/dbraw/zinc/93/09/32/567930932.db2.gz WHIIBICVZKGRSQ-QMMMGPOBSA-N 0 0 297.221 3.956 10 0 CHAERN C[C@H]1CCCN1c1ccc(-c2csc(N)n2)cc1F ZINC000087493479 570254160 /nfs/dbraw/zinc/25/41/60/570254160.db2.gz LFQNSFHFLMEUJZ-VIFPVBQESA-N 0 0 277.368 3.520 10 0 CHAERN Cc1c2cn([C@@H]3CCCCO3)nc2ccc1Br ZINC000087493381 570254195 /nfs/dbraw/zinc/25/41/95/570254195.db2.gz VVLLLBXGRLBFHM-ZDUSSCGKSA-N 0 0 295.180 3.806 10 0 CHAERN CCC[C@@H](C)c1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243165 570255034 /nfs/dbraw/zinc/25/50/34/570255034.db2.gz NISZDEKNQAGSQX-SNVBAGLBSA-N 0 0 259.353 3.606 10 0 CHAERN CCc1c(O)n2nc([C@H](C)CC)nc2cc1C(C)C ZINC000725242968 570255072 /nfs/dbraw/zinc/25/50/72/570255072.db2.gz CTZHHOCUDCHSHK-SNVBAGLBSA-N 0 0 261.369 3.634 10 0 CHAERN CC(C)c1nc2cc(C(C)(C)C)cc(Br)n2n1 ZINC000725248638 570256108 /nfs/dbraw/zinc/25/61/08/570256108.db2.gz ZKTWGGMHBJCMKN-UHFFFAOYSA-N 0 0 296.212 3.913 10 0 CHAERN CCC(C)(C)c1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248487 570256025 /nfs/dbraw/zinc/25/60/25/570256025.db2.gz WHNPQYXZBMQQQW-UHFFFAOYSA-N 0 0 296.212 3.796 10 0 CHAERN CCc1noc(C)c1-c1[nH]c2ccccc2c1C(C)=O ZINC000039316820 570283876 /nfs/dbraw/zinc/28/38/76/570283876.db2.gz KCZJQPICLFOWQK-UHFFFAOYSA-N 0 0 268.316 3.896 10 0 CHAERN COCc1nc(CSCC[Si](C)(C)C)cs1 ZINC000725245996 570332445 /nfs/dbraw/zinc/33/24/45/570332445.db2.gz PHVLLVRKJGGEFH-UHFFFAOYSA-N 0 0 275.515 3.861 10 0 CHAERN CCOC(=O)[C@H]1OC12CCCCCCCCCCC2 ZINC000089556410 570370641 /nfs/dbraw/zinc/37/06/41/570370641.db2.gz PLBPYNBXUCNYBQ-CQSZACIVSA-N 0 0 268.397 3.992 10 0 CHAERN CCCc1nn2c(c1Br)NC[C@@H](C)[C@@H]2CC ZINC000233389084 570411418 /nfs/dbraw/zinc/41/14/18/570411418.db2.gz YTTRKBMVIPTCSU-SCZZXKLOSA-N 0 0 286.217 3.611 10 0 CHAERN CCCCCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406017635 570411783 /nfs/dbraw/zinc/41/17/83/570411783.db2.gz LNRAGSIVJDQFLL-AWEZNQCLSA-N 0 0 291.391 3.841 10 0 CHAERN O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1 ZINC000013588785 581098145 /nfs/dbraw/zinc/09/81/45/581098145.db2.gz OSFGHYZLBDAJTP-UHFFFAOYSA-N 0 0 260.296 3.676 10 0 in-vivo CHAERN C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C(=O)[O-] ZINC000717530379 955143286 /nfs/dbraw/zinc/14/32/86/955143286.db2.gz GHLPIIQJCROYKQ-DOMZBBRYSA-N 0 0 275.392 3.689 10 0 CHAERN C[C@H]1C[C@H]([NH2+]Cc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC000708945617 969036610 /nfs/dbraw/zinc/03/66/10/969036610.db2.gz MSZPLLKWMXORQD-JSGCOSHPSA-N 0 0 275.392 3.689 10 0 CHAERN CC[C@H](C[NH2+]Cc1csc(C(=O)[O-])c1)CC(F)(F)F ZINC000689094816 976220051 /nfs/dbraw/zinc/22/00/51/976220051.db2.gz WDBUWPBLYMKBQP-QMMMGPOBSA-N 0 0 295.326 3.515 10 0 CHAERN C[C@@H]1CC(C[NH2+]Cc2ccsc2C(=O)[O-])C[C@@H](C)C1 ZINC000695318270 976791814 /nfs/dbraw/zinc/79/18/14/976791814.db2.gz VSJNZIZIUMRARO-QWRGUYRKSA-N 0 0 281.421 3.608 10 0 CHAERN Cc1ccsc1C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187095088 1126908133 /nfs/dbraw/zinc/90/81/33/1126908133.db2.gz ZLKPBLJSCSCWCP-LBPRGKRZSA-N 0 0 292.429 3.799 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1C[C@H]2CCCCC[C@@H]21 ZINC000362841845 1127651494 /nfs/dbraw/zinc/65/14/94/1127651494.db2.gz WYNZMAOPYUYKJJ-HIFRSBDPSA-N 0 0 268.360 3.573 10 0 CHAERN O=C1CC[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000585144268 1118551376 /nfs/dbraw/zinc/55/13/76/1118551376.db2.gz HODFDZYSBOREIS-INIZCTEOSA-N 0 0 252.313 3.712 10 0 CHAERN O=C(CC/C=C\c1ccccc1)OCCC[C@H]1CCCO1 ZINC000588448920 1118789109 /nfs/dbraw/zinc/78/91/09/1118789109.db2.gz DAUJOKLIEHJVQQ-BOHLGEJMSA-N 0 0 288.387 3.982 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)c1ccccc1 ZINC000588451515 1118796975 /nfs/dbraw/zinc/79/69/75/1118796975.db2.gz AZVMFDOODZBQDK-BMSUMIBZSA-N 0 0 267.328 3.708 10 0 CHAERN Cc1cccc([C@@H](C)CNC(=O)/C=C\c2ncccc2C)c1 ZINC000588453177 1118798477 /nfs/dbraw/zinc/79/84/77/1118798477.db2.gz GTLVUOWDXUPRDL-YDZSZYSISA-N 0 0 294.398 3.632 10 0 CHAERN Cc1ccc(C)c(N(C)C(=O)/C=C\c2ncccc2C)c1 ZINC000588452445 1118798684 /nfs/dbraw/zinc/79/86/84/1118798684.db2.gz XHDGEWLXXPDKDK-KTKRTIGZSA-N 0 0 280.371 3.683 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[C@@H]32)c1 ZINC000336366295 1119048202 /nfs/dbraw/zinc/04/82/02/1119048202.db2.gz UZLWNARXLBWDRP-MFKMUULPSA-N 0 0 264.756 3.665 10 0 CHAERN C/C=C(/CC)C(=O)OC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000588570234 1119321357 /nfs/dbraw/zinc/32/13/57/1119321357.db2.gz GYWTZXHPVURTOD-ORKNMLPVSA-N 0 0 274.360 3.664 10 0 CHAERN O=C(C/C=C\c1cccc(F)c1)O[C@H]1CCc2cccnc21 ZINC000588573794 1119333391 /nfs/dbraw/zinc/33/33/91/1119333391.db2.gz HEVLJZKBIQADOD-ASKPUQFJSA-N 0 0 297.329 3.855 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCSCC[C@@H]1C ZINC000588586136 1119431532 /nfs/dbraw/zinc/43/15/32/1119431532.db2.gz ZVIICMKJCCIWFX-HHQWOOOKSA-N 0 0 293.407 3.583 10 0 CHAERN C[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCCC(=O)N2)n1 ZINC000329588983 1119441632 /nfs/dbraw/zinc/44/16/32/1119441632.db2.gz NDEIOGDSVMRKRX-MXWKQRLJSA-N 0 0 263.341 3.545 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Oc1cc(F)ccc1Cl ZINC000588620148 1119634244 /nfs/dbraw/zinc/63/42/44/1119634244.db2.gz HJSYJGKIVUZTFD-SREVYHEPSA-N 0 0 291.709 3.801 10 0 CHAERN Cc1cccnc1/C=C\c1nc(C2CCCCC2)no1 ZINC000588451584 1120504727 /nfs/dbraw/zinc/50/47/27/1120504727.db2.gz SPSYFMCHYGZIBB-KTKRTIGZSA-N 0 0 269.348 3.991 10 0 CHAERN C[C@H](CC(=O)N1CCCCC[C@H]1c1ncon1)C(C)(C)C ZINC000408274958 1120992374 /nfs/dbraw/zinc/99/23/74/1120992374.db2.gz QUUNGUJKOMEVQZ-OLZOCXBDSA-N 0 0 293.411 3.586 10 0 CHAERN Cc1nc(C)c(COC(=O)c2cccc3ncccc32)s1 ZINC000105372281 1123051040 /nfs/dbraw/zinc/05/10/40/1123051040.db2.gz VMDBUEPXJOSVSZ-UHFFFAOYSA-N 0 0 298.367 3.665 10 0 CHAERN CC[C@@H](COC(=O)c1c(C)noc1C)c1ccccc1 ZINC000105775288 1123071138 /nfs/dbraw/zinc/07/11/38/1123071138.db2.gz LTWBPYOAVNJITL-ZDUSSCGKSA-N 0 0 273.332 3.642 10 0 CHAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000106023434 1123104605 /nfs/dbraw/zinc/10/46/05/1123104605.db2.gz TZMGSKXRVXXWEH-QLJPJBMISA-N 0 0 287.309 3.770 10 0 CHAERN COc1ccc(C)nc1NC(=O)c1cccn1C1CCCC1 ZINC000182271928 1123172201 /nfs/dbraw/zinc/17/22/01/1123172201.db2.gz ZZZUYOIOXLCAMO-UHFFFAOYSA-N 0 0 299.374 3.568 10 0 CHAERN C[C@H]1CC(c2noc([C@@]3(C)CCC(=O)NC3)n2)C[C@H](C)C1 ZINC000329600111 1123444588 /nfs/dbraw/zinc/44/45/88/1123444588.db2.gz PXYGMQKQZIKZAX-UVWXRNBGSA-N 0 0 291.395 3.617 10 0 CHAERN Cc1nc(-c2noc([C@H]3C[C@H](C)CC(C)(C)C3)n2)co1 ZINC000329691306 1123646298 /nfs/dbraw/zinc/64/62/98/1123646298.db2.gz WHCOPBNHGLCYCW-ONGXEEELSA-N 0 0 275.352 3.963 10 0 CHAERN CC1CCC(C)(NC(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000192478449 1125333619 /nfs/dbraw/zinc/33/36/19/1125333619.db2.gz XUZMDWLOBTVFGU-NSWWBONSSA-N 0 0 286.419 3.587 10 0 CHAERN O=C(Cc1ccsc1)N1CC=C(c2ccccc2)CC1 ZINC000192980298 1125337216 /nfs/dbraw/zinc/33/72/16/1125337216.db2.gz ZZNKYHZGPCJCNM-UHFFFAOYSA-N 0 0 283.396 3.607 10 0 CHAERN Cc1cccc(CNC(=O)C[C@H](c2ccccc2)C(C)C)n1 ZINC000103072733 1125352841 /nfs/dbraw/zinc/35/28/41/1125352841.db2.gz XVAOBJKILGHCGQ-SFHVURJKSA-N 0 0 296.414 3.836 10 0 CHAERN CC[C@H](CC(=O)NCc1cccc(C)n1)c1ccccc1 ZINC000103431374 1125364266 /nfs/dbraw/zinc/36/42/66/1125364266.db2.gz XUFTTYCEKDEYCY-OAHLLOKOSA-N 0 0 282.387 3.590 10 0 CHAERN CC[C@@H](CC(=O)OCC(F)(F)F)c1ccccc1 ZINC000103553392 1130482145 /nfs/dbraw/zinc/48/21/45/1130482145.db2.gz HEKDBTXBMBDMRX-JTQLQIEISA-N 0 0 260.255 3.676 10 0 CHAERN CC(C)(C)c1c(Br)nccc1OC1CC1 ZINC000095725307 185021175 /nfs/dbraw/zinc/02/11/75/185021175.db2.gz HYUOAFWZTBDKEY-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN Fc1cc(Br)cc(OC(F)(F)C(F)F)c1 ZINC000095933616 185033615 /nfs/dbraw/zinc/03/36/15/185033615.db2.gz LPCLDMZUPDUXRN-UHFFFAOYSA-N 0 0 291.013 3.825 10 0 CHAERN Brc1ccnc(Oc2ccccc2)c1 ZINC000095935539 185033667 /nfs/dbraw/zinc/03/36/67/185033667.db2.gz FRKVIISCCFRFDA-UHFFFAOYSA-N 0 0 250.095 3.636 10 0 CHAERN Cc1cccc(C)c1NC(=O)C(C)(C)c1ccc(N)cc1 ZINC000082698339 178198043 /nfs/dbraw/zinc/19/80/43/178198043.db2.gz KMHWSBOONZRVMZ-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN CC[C@H](C)Nc1ccc(Br)c(OC)c1 ZINC000096034149 185068264 /nfs/dbraw/zinc/06/82/64/185068264.db2.gz RFVRAFNUMNUSEZ-QMMMGPOBSA-N 0 0 258.159 3.668 10 0 CHAERN C[C@H](Nc1ccc(F)c(Br)c1)C1CC1 ZINC000096034203 185068475 /nfs/dbraw/zinc/06/84/75/185068475.db2.gz MHIARMAMCXLSPK-ZETCQYMHSA-N 0 0 258.134 3.799 10 0 CHAERN Cc1cc(Br)nc2c(F)ccc(F)c12 ZINC000082788573 178293756 /nfs/dbraw/zinc/29/37/56/178293756.db2.gz XFLUIKAMRZLZGQ-UHFFFAOYSA-N 0 0 258.065 3.584 10 0 CHAERN CSc1ccc(C)cc1[C@H](O)c1cccs1 ZINC000083141129 178341345 /nfs/dbraw/zinc/34/13/45/178341345.db2.gz ZTTFJYNCXFSNIP-ZDUSSCGKSA-N 0 0 250.388 3.860 10 0 CHAERN CCC(=O)c1c(C)cc(C)c(Br)c1C ZINC000083161566 178346005 /nfs/dbraw/zinc/34/60/05/178346005.db2.gz FSWYPGRISFCJED-UHFFFAOYSA-N 0 0 255.155 3.967 10 0 CHAERN CC[C@@H](CNc1ncccn1)c1ccc(Cl)cc1 ZINC000301713571 529497987 /nfs/dbraw/zinc/49/79/87/529497987.db2.gz WDRZNIMAIQGILU-NSHDSACASA-N 0 0 261.756 3.736 10 0 CHAERN OCc1ccc(NCc2cccc(Cl)c2F)cc1 ZINC000083482802 178508045 /nfs/dbraw/zinc/50/80/45/178508045.db2.gz IAUHZVJPIOSJST-UHFFFAOYSA-N 0 0 265.715 3.584 10 0 CHAERN CC(C)(C)OC(=O)c1cccc(-c2ccc(O)cc2)c1N ZINC000085476751 179079850 /nfs/dbraw/zinc/07/98/50/179079850.db2.gz UAXBAZNTPKGMNG-UHFFFAOYSA-N 0 0 285.343 3.597 10 0 CHAERN CC1=NN([C@@H](C)c2ccc(Br)cc2)C(=O)CC1 ZINC000098180067 185698680 /nfs/dbraw/zinc/69/86/80/185698680.db2.gz GOLIOMWASRQVRF-JTQLQIEISA-N 0 0 295.180 3.508 10 0 CHAERN CCCCO[C@@H](C)OCC(F)(F)[C@H](F)C(F)(F)F ZINC000098210582 185699579 /nfs/dbraw/zinc/69/95/79/185699579.db2.gz MHWJJEAAUALWDP-SFYZADRCSA-N 0 0 282.224 3.701 10 0 CHAERN C[C@@H]1CCN(C(=O)c2ccc(O)cc2)c2ccccc21 ZINC000196122247 136581551 /nfs/dbraw/zinc/58/15/51/136581551.db2.gz LQOWYKKDFIEXQX-GFCCVEGCSA-N 0 0 267.328 3.546 10 0 CHAERN Cc1c(N)cccc1C(=O)N1c2ccccc2CC[C@H]1C ZINC000019397241 136576877 /nfs/dbraw/zinc/57/68/77/136576877.db2.gz JZRRNKKJPRWELH-GFCCVEGCSA-N 0 0 280.371 3.559 10 0 CHAERN COCCc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000103448040 185841502 /nfs/dbraw/zinc/84/15/02/185841502.db2.gz HVJAXQIEVPXEAI-MRXNPFEDSA-N 0 0 276.763 3.611 10 0 CHAERN C[C@H](O)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000103922584 185861142 /nfs/dbraw/zinc/86/11/42/185861142.db2.gz KYPIGNIPBVBAFL-ZETCQYMHSA-N 0 0 273.279 3.882 10 0 CHAERN COC(=O)c1cc(Cl)c2ccc3c(c2n1)CCCC3 ZINC000103921555 185861219 /nfs/dbraw/zinc/86/12/19/185861219.db2.gz DEHSGPQIXIBGKT-UHFFFAOYSA-N 0 0 275.735 3.554 10 0 CHAERN O[C@H](c1nc2c(s1)CCCCCC2)c1ccccc1 ZINC000104060025 185889016 /nfs/dbraw/zinc/88/90/16/185889016.db2.gz ZFSMGXDMXLYAFQ-HNNXBMFYSA-N 0 0 273.401 3.884 10 0 CHAERN O[C@@H](c1nc(C2CCCC2)cs1)c1ccccc1 ZINC000104061397 185889346 /nfs/dbraw/zinc/88/93/46/185889346.db2.gz PXPKPNBCBSUJIW-CQSZACIVSA-N 0 0 259.374 3.882 10 0 CHAERN C[C@H]1CCC[C@H](Nc2ccc(Cl)cc2C(N)=S)C1 ZINC000104171503 185916293 /nfs/dbraw/zinc/91/62/93/185916293.db2.gz YEXAMFWUCUGEPG-ONGXEEELSA-N 0 0 282.840 3.965 10 0 CHAERN CNc1c(C)c(C(F)(F)F)nc2c(OC)cccc21 ZINC000104215847 185933846 /nfs/dbraw/zinc/93/38/46/185933846.db2.gz FJFQMYPGSWPVNU-UHFFFAOYSA-N 0 0 270.254 3.612 10 0 CHAERN Cc1csc(Sc2c(F)cc(C=O)cc2F)n1 ZINC000104285623 185954884 /nfs/dbraw/zinc/95/48/84/185954884.db2.gz YEKVYBCHCBVXHC-UHFFFAOYSA-N 0 0 271.313 3.693 10 0 CHAERN Fc1ccc(-c2n[nH]cc2-c2ccc3nccn3c2)cc1 ZINC000089201387 179752317 /nfs/dbraw/zinc/75/23/17/179752317.db2.gz CMQSNLFXLAOARC-UHFFFAOYSA-N 0 0 278.290 3.531 10 0 CHAERN CSc1ccc(Oc2c(F)cc(CO)cc2F)cc1 ZINC000104339122 185975005 /nfs/dbraw/zinc/97/50/05/185975005.db2.gz TYLOVZJDHTWRMS-UHFFFAOYSA-N 0 0 282.311 3.971 10 0 CHAERN Cc1[nH]c(=O)cc(-c2ccc(Cl)cc2)c1Br ZINC000090487078 179991316 /nfs/dbraw/zinc/99/13/16/179991316.db2.gz VYIPDZRLSQLODJ-UHFFFAOYSA-N 0 0 298.567 3.766 10 0 CHAERN CNc1coc(/C=C/c2ccc(C(F)(F)F)cc2)n1 ZINC000090505483 179995017 /nfs/dbraw/zinc/99/50/17/179995017.db2.gz XTXRXEHBDPJWLL-QPJJXVBHSA-N 0 0 268.238 3.906 10 0 CHAERN CC1(CN2C(=S)N=NC2c2cccs2)CCCC1 ZINC000104432326 186000345 /nfs/dbraw/zinc/00/03/45/186000345.db2.gz GOLIAWGZOKTJNG-UHFFFAOYSA-N 0 0 279.434 3.876 10 0 CHAERN COc1ccc(C[C@H](O)C[C@H](C)C(C)(C)C)cc1 ZINC000104432903 186000603 /nfs/dbraw/zinc/00/06/03/186000603.db2.gz OEJFADQAIFQHDM-GXTWGEPZSA-N 0 0 250.382 3.671 10 0 CHAERN Cc1ccc(N)c(NC(=O)C[C@@H](C)C(C)(C)C)c1C ZINC000104432710 186000767 /nfs/dbraw/zinc/00/07/67/186000767.db2.gz XWTDPBDNAKTQHE-LLVKDONJSA-N 0 0 262.397 3.896 10 0 CHAERN C[C@@H](CC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000104448930 186006051 /nfs/dbraw/zinc/00/60/51/186006051.db2.gz CYNYIINCZVGNJC-NSHDSACASA-N 0 0 262.349 3.713 10 0 CHAERN CCC(CC)[C@H](C)Nc1nnc(Cl)c(C)c1C ZINC000104448323 186006282 /nfs/dbraw/zinc/00/62/82/186006282.db2.gz YVGCKELDZUYLOW-JTQLQIEISA-N 0 0 255.793 3.983 10 0 CHAERN FC(F)(F)c1cc(Br)cnc1C(F)(F)F ZINC000091252231 180113967 /nfs/dbraw/zinc/11/39/67/180113967.db2.gz MURKJGAVBDTSNT-UHFFFAOYSA-N 0 0 293.992 3.882 10 0 CHAERN CCCCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000091301952 180129249 /nfs/dbraw/zinc/12/92/49/180129249.db2.gz JTBHSDQWSCKSRZ-HNNXBMFYSA-N 0 0 289.375 3.547 10 0 CHAERN COC(=O)c1cccc2c3ccsc3c(Cl)nc12 ZINC000091691785 180228031 /nfs/dbraw/zinc/22/80/31/180228031.db2.gz DGKQZFPRRQYZSA-UHFFFAOYSA-N 0 0 277.732 3.890 10 0 CHAERN Nc1ccc(-c2cc(Br)cs2)s1 ZINC000105889444 186084948 /nfs/dbraw/zinc/08/49/48/186084948.db2.gz LRPGHTCDHPPIML-UHFFFAOYSA-N 0 0 260.181 3.821 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OC(=O)c1cccc(C)c1N ZINC000109893672 186278514 /nfs/dbraw/zinc/27/85/14/186278514.db2.gz KGDYLCCAUARDFW-TZMCWYRMSA-N 0 0 261.365 3.703 10 0 CHAERN CCNc1nc(-c2cccs2)nc2c1CCCCC2 ZINC000110448738 186297251 /nfs/dbraw/zinc/29/72/51/186297251.db2.gz QAOKLJRYHRIPIH-UHFFFAOYSA-N 0 0 273.405 3.906 10 0 CHAERN CC(C)c1c(Cl)nc(-c2cccnc2)nc1Cl ZINC000110621827 186306435 /nfs/dbraw/zinc/30/64/35/186306435.db2.gz YAWLUAGOLNZHJL-UHFFFAOYSA-N 0 0 268.147 3.969 10 0 CHAERN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)OC(C)(C)C ZINC000299890361 200881259 /nfs/dbraw/zinc/88/12/59/200881259.db2.gz YGYKUWICXNUXQG-UHFFFAOYSA-N 0 0 292.766 3.696 10 0 CHAERN OCc1cccnc1-c1ccc(Cl)cc1Cl ZINC000255995609 190000763 /nfs/dbraw/zinc/00/07/63/190000763.db2.gz PVPBVSCYQTXWQY-UHFFFAOYSA-N 0 0 254.116 3.548 10 0 CHAERN O=Cc1c[nH]c2cc(C(F)(F)F)cc(Br)c12 ZINC000261506772 190039773 /nfs/dbraw/zinc/03/97/73/190039773.db2.gz AULPBLSWCVDALD-UHFFFAOYSA-N 0 0 292.054 3.762 10 0 CHAERN Cc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1 ZINC000000430512 169638670 /nfs/dbraw/zinc/63/86/70/169638670.db2.gz DWVNSQMFCDFALG-RVDMUPIBSA-N 0 0 269.344 3.872 10 0 CHAERN Fc1ccc(-c2cn3ccc(Br)cc3n2)cc1 ZINC000039325764 184545607 /nfs/dbraw/zinc/54/56/07/184545607.db2.gz KQXPMIPYQIGWKP-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN COC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000065748264 184569222 /nfs/dbraw/zinc/56/92/22/184569222.db2.gz YDDSWVLLFYZHGD-VWPFQQQWSA-N 0 0 280.408 3.751 10 0 in-vitro CHAERN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@H]1CCC2=O ZINC000256412914 256688589 /nfs/dbraw/zinc/68/85/89/256688589.db2.gz DYMROBVXGSLPAY-IWOANEAGSA-N 0 0 288.431 3.735 10 0 CHAERN COc1ccc(-c2cscn2)cc1Br ZINC000001520129 169711346 /nfs/dbraw/zinc/71/13/46/169711346.db2.gz JHKCGVBRZORJHC-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN Brc1ccc(NNc2ccccc2)cc1 ZINC000001595021 169721370 /nfs/dbraw/zinc/72/13/70/169721370.db2.gz YGTAWKGGTBAVID-UHFFFAOYSA-N 0 0 263.138 3.888 10 0 CHAERN CCCN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000171418675 335065348 /nfs/dbraw/zinc/06/53/48/335065348.db2.gz ARSJYAXJTMZBPL-GHMZBOCLSA-N 0 0 292.345 3.692 10 0 CHAERN CC(C)(C)CCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171431130 335065623 /nfs/dbraw/zinc/06/56/23/335065623.db2.gz MVRDMUGUGRSRJO-CQSZACIVSA-N 0 0 275.392 3.843 10 0 CHAERN Cc1c(Cl)nnc(N2CC[C@H]3CCCC[C@@H]3C2)c1C ZINC000071171381 134958407 /nfs/dbraw/zinc/95/84/07/134958407.db2.gz QXRJGHXFQICOQE-CHWSQXEVSA-N 0 0 279.815 3.763 10 0 CHAERN CCOC(=O)[C@@]1(CCCCCc2ccc(Cl)cc2)CO1 ZINC000001853738 169760444 /nfs/dbraw/zinc/76/04/44/169760444.db2.gz DNORZUSMZSZZKU-MRXNPFEDSA-N 0 0 296.794 3.775 10 0 CHAERN COc1ccccc1COC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000001866888 169761622 /nfs/dbraw/zinc/76/16/22/169761622.db2.gz ISNDXSGYKWDBBH-ZBFHGGJFSA-N 0 0 288.387 3.977 10 0 CHAERN Cc1sc2ncn3c(nnc3-c3ccccc3)c2c1C ZINC000001942498 169764556 /nfs/dbraw/zinc/76/45/56/169764556.db2.gz QUUHLGNFYFCVSX-UHFFFAOYSA-N 0 0 280.356 3.623 10 0 CHAERN O=C(Sc1cccs1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000004389786 169964698 /nfs/dbraw/zinc/96/46/98/169964698.db2.gz OOQMTHYNAWINFS-OUAUKWLOSA-N 0 0 250.388 3.969 10 0 CHAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1 ZINC000004436461 169968391 /nfs/dbraw/zinc/96/83/91/169968391.db2.gz OGLAWJGLACTERN-UHFFFAOYSA-N 0 0 296.301 3.662 10 0 CHAERN Cc1ccc2nc(-c3ccc4nc(N)sc4c3)oc2c1 ZINC000005000142 170052640 /nfs/dbraw/zinc/05/26/40/170052640.db2.gz GCCLSYHCYUEFIX-UHFFFAOYSA-N 0 0 281.340 3.995 10 0 CHAERN CSC(=S)/C=C1/Sc2ccccc2N1C ZINC000005140959 170070261 /nfs/dbraw/zinc/07/02/61/170070261.db2.gz NUJLHAURLLYKRL-JXMROGBWSA-N 0 0 253.417 3.760 10 0 CHAERN COC(=O)c1ccc(-c2ccco2)n1Cc1cccc(C)c1 ZINC000005149951 170070911 /nfs/dbraw/zinc/07/09/11/170070911.db2.gz IZKHNPFFNFUQKH-UHFFFAOYSA-N 0 0 295.338 3.891 10 0 CHAERN Cc1ccc(Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1 ZINC000005396661 170094833 /nfs/dbraw/zinc/09/48/33/170094833.db2.gz MDGMDXUWQMKFAC-UHFFFAOYSA-N 0 0 290.366 3.575 10 0 CHAERN Oc1ccccc1Cc1c(O)ccc2ccccc21 ZINC000005518396 170107032 /nfs/dbraw/zinc/10/70/32/170107032.db2.gz KHCXWVPDTQDKOX-UHFFFAOYSA-N 0 0 250.297 3.842 10 0 CHAERN O=C(Nc1cnc(-c2ccccc2)o1)c1ccccc1 ZINC000005516907 170107222 /nfs/dbraw/zinc/10/72/22/170107222.db2.gz WZROMEOZHGYRCU-UHFFFAOYSA-N 0 0 264.284 3.594 10 0 CHAERN Cc1ccc(OCc2ccc(C(N)=S)cc2)cc1C ZINC000005592548 170117506 /nfs/dbraw/zinc/11/75/06/170117506.db2.gz ZBKPQFFAFFREDR-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN CCCOc1ccc(/C=C/C(=O)N2CCC(C)CC2)cc1 ZINC000005708161 170131890 /nfs/dbraw/zinc/13/18/90/170131890.db2.gz IRKFRWOZMPXVBD-RMKNXTFCSA-N 0 0 287.403 3.747 10 0 CHAERN CC(C)CCONC(=O)Nc1cccc2ccccc21 ZINC000005727076 170134164 /nfs/dbraw/zinc/13/41/64/170134164.db2.gz ZMVDNSISUJTJSY-UHFFFAOYSA-N 0 0 272.348 3.939 10 0 CHAERN Cc1ccc2[nH]c(COc3cccc(C)c3)nc2c1 ZINC000005818510 170143640 /nfs/dbraw/zinc/14/36/40/170143640.db2.gz UVJQZUJAGGWOGD-UHFFFAOYSA-N 0 0 252.317 3.759 10 0 CHAERN CCCCOCN(C(C)=O)c1c(CC)cccc1CC ZINC000005821465 170144170 /nfs/dbraw/zinc/14/41/70/170144170.db2.gz OETFRALKFSSGAD-UHFFFAOYSA-N 0 0 277.408 3.939 10 0 CHAERN CCCCCONC(=O)Nc1ccccc1Cl ZINC000005951346 170160901 /nfs/dbraw/zinc/16/09/01/170160901.db2.gz CJYNJMAHYFBJED-UHFFFAOYSA-N 0 0 256.733 3.583 10 0 CHAERN C[C@@H]1CCCCN1CC(=O)c1ccccc1Br ZINC000006052937 170172744 /nfs/dbraw/zinc/17/27/44/170172744.db2.gz YSNOELBFGHKBDM-LLVKDONJSA-N 0 0 296.208 3.506 10 0 CHAERN C[C@H](Nc1ccc2ccccc2c1)C(=O)NC1CCCC1 ZINC000006285196 170188451 /nfs/dbraw/zinc/18/84/51/170188451.db2.gz HIGUHPBTKFEXRG-ZDUSSCGKSA-N 0 0 282.387 3.699 10 0 CHAERN O=C(/C=C/c1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000006341681 170193919 /nfs/dbraw/zinc/19/39/19/170193919.db2.gz AJDUGCNCRYMWEO-CMDGGOBGSA-N 0 0 297.785 3.938 10 0 CHAERN Cc1ccc(OCCC(=O)Nc2ccccc2C)cc1 ZINC000006339585 170193977 /nfs/dbraw/zinc/19/39/77/170193977.db2.gz NFOWWUJOLUWLAN-UHFFFAOYSA-N 0 0 269.344 3.711 10 0 CHAERN O=C(Nc1ccccc1-n1cccc1)c1ccc(F)cc1 ZINC000006392653 170197788 /nfs/dbraw/zinc/19/77/88/170197788.db2.gz OIGDTKOOIDRTBD-UHFFFAOYSA-N 0 0 280.302 3.869 10 0 CHAERN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccccc1F)C2 ZINC000006591215 170217584 /nfs/dbraw/zinc/21/75/84/170217584.db2.gz CTXUALZXGWJBPY-SJCJKPOMSA-N 0 0 275.367 3.867 10 0 CHAERN COC(=O)c1cc2sc(C)cc2n1Cc1ccccc1 ZINC000006750519 170240144 /nfs/dbraw/zinc/24/01/44/170240144.db2.gz GOXYYBMSPZDSDR-UHFFFAOYSA-N 0 0 285.368 3.846 10 0 CHAERN N=c1sc(/C=C/c2ccccc2)nn1-c1ccccc1 ZINC000007101820 170267299 /nfs/dbraw/zinc/26/72/99/170267299.db2.gz QKCIBCBXNKYAGH-NKIVZWOESA-N 0 0 279.368 3.584 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NC2CCCC2)cc1Cl ZINC000007383739 170281822 /nfs/dbraw/zinc/28/18/22/170281822.db2.gz HLRINHZGBPGMKC-NSHDSACASA-N 0 0 280.799 3.508 10 0 CHAERN CCCCCC(=O)NC(=S)Nc1cc(C)ccc1C ZINC000007445602 170285368 /nfs/dbraw/zinc/28/53/68/170285368.db2.gz WGWGIIWQRGHYED-UHFFFAOYSA-N 0 0 278.421 3.697 10 0 CHAERN O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCC1 ZINC000007644195 170295265 /nfs/dbraw/zinc/29/52/65/170295265.db2.gz ICDZHCFTOUEXRL-ZHACJKMWSA-N 0 0 278.355 3.991 10 0 CHAERN COc1ccc(OC)c(-c2csc(NC(C)C)n2)c1 ZINC000007643783 170295327 /nfs/dbraw/zinc/29/53/27/170295327.db2.gz XRIGUGUJHKNLPW-UHFFFAOYSA-N 0 0 278.377 3.648 10 0 CHAERN C[C@H](NC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000007741305 170300200 /nfs/dbraw/zinc/30/02/00/170300200.db2.gz NMJHUPIMSDEICP-VIFPVBQESA-N 0 0 294.148 3.533 10 0 CHAERN CC(C)(C)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000007844636 170304720 /nfs/dbraw/zinc/30/47/20/170304720.db2.gz RLGYYISPNACKOP-UHFFFAOYSA-N 0 0 290.388 3.792 10 0 CHAERN Cc1ccccc1/C=C/C(=O)NCc1cccc(Cl)c1 ZINC000008034631 170315119 /nfs/dbraw/zinc/31/51/19/170315119.db2.gz BGLZPTMPDXWSHE-MDZDMXLPSA-N 0 0 285.774 3.978 10 0 CHAERN COc1c(Cl)cc(C(=O)NC2CCCC2)cc1Cl ZINC000008076397 170317705 /nfs/dbraw/zinc/31/77/05/170317705.db2.gz KDWNXZOJLCVZNP-UHFFFAOYSA-N 0 0 288.174 3.674 10 0 CHAERN CCOc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 ZINC000008287760 170329244 /nfs/dbraw/zinc/32/92/44/170329244.db2.gz NJFPEQBWRDARIZ-DHZHZOJOSA-N 0 0 285.318 3.876 10 0 CHAERN Cc1ccccc1/C=C/C(=O)Nc1ccccc1F ZINC000008289164 170329343 /nfs/dbraw/zinc/32/93/43/170329343.db2.gz XSBFNBGELUETPQ-ZHACJKMWSA-N 0 0 255.292 3.786 10 0 CHAERN CCOC(=O)c1c(C)nc2c3ccccc3oc2c1C ZINC000008718053 170349310 /nfs/dbraw/zinc/34/93/10/170349310.db2.gz HJZOLJZKTPDTPD-UHFFFAOYSA-N 0 0 269.300 3.775 10 0 CHAERN CC(=O)Oc1cccc(NC(=O)/C(C)=C/c2ccccc2)c1 ZINC000008906694 170358569 /nfs/dbraw/zinc/35/85/69/170358569.db2.gz UDOQCASULFXMLT-ACCUITESSA-N 0 0 295.338 3.654 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Nc2onc3c2CCC3)cc1 ZINC000008976425 170360357 /nfs/dbraw/zinc/36/03/57/170360357.db2.gz KRSXJYZXOQKQNH-UHFFFAOYSA-N 0 0 284.359 3.713 10 0 CHAERN Cc1cc(C=O)c(C)n1CCOc1ccc(C)c(C)c1 ZINC000009246145 170368303 /nfs/dbraw/zinc/36/83/03/170368303.db2.gz BUWFPQUMDPPKCD-UHFFFAOYSA-N 0 0 271.360 3.613 10 0 CHAERN OC[C@@H](Cc1cccc(Cl)c1)c1ccccc1F ZINC000011734288 170436316 /nfs/dbraw/zinc/43/63/16/170436316.db2.gz XHDDNZWCPDVAOL-GFCCVEGCSA-N 0 0 264.727 3.798 10 0 CHAERN Cc1ccc(C[C@@H](CO)c2cccc(Cl)c2)cc1 ZINC000011734668 170436551 /nfs/dbraw/zinc/43/65/51/170436551.db2.gz QKLUXMUYRDKXDB-HNNXBMFYSA-N 0 0 260.764 3.967 10 0 CHAERN CCCC(=O)Oc1ccc(/C=C/c2ccccn2)cc1 ZINC000011858784 170448856 /nfs/dbraw/zinc/44/88/56/170448856.db2.gz LKXMRYVZEDNNMU-JXMROGBWSA-N 0 0 267.328 3.958 10 0 CHAERN COc1ccc2[nH]c(C(=O)c3cccc(F)c3)cc2c1 ZINC000013471019 170553274 /nfs/dbraw/zinc/55/32/74/170553274.db2.gz PIXXFPDQBCSSKH-UHFFFAOYSA-N 0 0 269.275 3.547 10 0 CHAERN CC(C)CCC[C@@H](C)NC(=S)NC1CCCCC1 ZINC000013821863 170598760 /nfs/dbraw/zinc/59/87/60/170598760.db2.gz BTMWRKKQAUOVFT-CYBMUJFWSA-N 0 0 270.486 3.998 10 0 CHAERN Cc1oncc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000014179856 170621878 /nfs/dbraw/zinc/62/18/78/170621878.db2.gz RUDZAYYFCFCVAX-UHFFFAOYSA-N 0 0 271.103 3.542 10 0 CHAERN C[C@@H](NC(=O)c1ccco1)c1ccccc1Br ZINC000014425869 170633788 /nfs/dbraw/zinc/63/37/88/170633788.db2.gz AXEMLHUKGZTCDD-SECBINFHSA-N 0 0 294.148 3.533 10 0 CHAERN C[C@H]1SC2(CCCCC2)N(Nc2ccccc2)C1=O ZINC000016608054 170705316 /nfs/dbraw/zinc/70/53/16/170705316.db2.gz HXMHNIDEWDZLFN-GFCCVEGCSA-N 0 0 276.405 3.638 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1C ZINC000019281661 170771918 /nfs/dbraw/zinc/77/19/18/170771918.db2.gz NVVWEHRSSLRFEP-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1ccc(NC(=O)c2ccc(Cl)cc2F)c(Cl)c1 ZINC000019394055 170782447 /nfs/dbraw/zinc/78/24/47/170782447.db2.gz ZSMULFRDGVAAOU-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN CSc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1 ZINC000019401186 170784999 /nfs/dbraw/zinc/78/49/99/170784999.db2.gz RWHUZVJSPACANO-UHFFFAOYSA-N 0 0 292.791 3.896 10 0 CHAERN Nc1ccc(Cl)cc1C(=O)NCc1ccccc1Cl ZINC000019803639 170873093 /nfs/dbraw/zinc/87/30/93/170873093.db2.gz ZAOWYOJGOQFYNU-UHFFFAOYSA-N 0 0 295.169 3.506 10 0 CHAERN Cc1ccc(OCc2cccc(C(N)=S)c2)cc1C ZINC000019806109 170874944 /nfs/dbraw/zinc/87/49/44/170874944.db2.gz AYTZDSMHBJQBHC-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCc1ccc(C(N)=S)cc1F ZINC000019806182 170875018 /nfs/dbraw/zinc/87/50/18/170875018.db2.gz ZSDYDMNFUFTCGJ-QMTHXVAHSA-N 0 0 281.396 3.555 10 0 CHAERN NC(=S)c1cccc(CO[C@@H]2CCCc3ccccc32)c1 ZINC000019806230 170875202 /nfs/dbraw/zinc/87/52/02/170875202.db2.gz IWQJSSMGZFNJNK-QGZVFWFLSA-N 0 0 297.423 3.915 10 0 CHAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(O)cc1 ZINC000019907589 170919681 /nfs/dbraw/zinc/91/96/81/170919681.db2.gz GUTDJTGZVIGWEM-MRVPVSSYSA-N 0 0 267.250 3.983 10 0 CHAERN Fc1cc(Br)ccc1NC1CCCC1 ZINC000019907954 170920081 /nfs/dbraw/zinc/92/00/81/170920081.db2.gz UFBWNDVENDLWJH-UHFFFAOYSA-N 0 0 258.134 3.943 10 0 CHAERN COc1cc([C@@H](C)Nc2cc(C)ccc2OC)ccc1O ZINC000019914482 170924492 /nfs/dbraw/zinc/92/44/92/170924492.db2.gz LUDRKPPPIBGKLF-GFCCVEGCSA-N 0 0 287.359 3.891 10 0 CHAERN OCc1ccccc1OCc1ccccc1Br ZINC000020032832 170974367 /nfs/dbraw/zinc/97/43/67/170974367.db2.gz ZLXIYSQMWLZVDX-UHFFFAOYSA-N 0 0 293.160 3.520 10 0 CHAERN CCC(=O)Nc1cccc(NCc2ccc(C)o2)c1 ZINC000020131880 171020526 /nfs/dbraw/zinc/02/05/26/171020526.db2.gz DSNSNXWBCJDYIR-UHFFFAOYSA-N 0 0 258.321 3.549 10 0 CHAERN c1ccc2sc(CN[C@H]3CCOc4ccccc43)nc2c1 ZINC000020136340 171024177 /nfs/dbraw/zinc/02/41/77/171024177.db2.gz UVSNGDOMEZAWBG-ZDUSSCGKSA-N 0 0 296.395 3.910 10 0 CHAERN C[C@H](CCc1ccc(O)cc1)Nc1cccc(O)c1 ZINC000020193710 171059577 /nfs/dbraw/zinc/05/95/77/171059577.db2.gz DQVKLCVOHWACRX-GFCCVEGCSA-N 0 0 257.333 3.531 10 0 CHAERN Oc1cccc(NCc2ccccc2Br)c1 ZINC000020194039 171059826 /nfs/dbraw/zinc/05/98/26/171059826.db2.gz XFVHLYFJQFWYDC-UHFFFAOYSA-N 0 0 278.149 3.767 10 0 CHAERN COc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246332 171099506 /nfs/dbraw/zinc/09/95/06/171099506.db2.gz DYSOXHUOESOMEE-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN CC(C)NC(=O)[C@@H](C)Nc1ccccc1-c1ccccc1 ZINC000020304700 171140814 /nfs/dbraw/zinc/14/08/14/171140814.db2.gz GPELVUJMXOOBBI-CQSZACIVSA-N 0 0 282.387 3.679 10 0 CHAERN CCOC(=O)Cc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000020311678 171144733 /nfs/dbraw/zinc/14/47/33/171144733.db2.gz YJZCRFLQHPOLDS-UHFFFAOYSA-N 0 0 289.400 3.841 10 0 CHAERN Cc1ccc(CCC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000020344877 171153913 /nfs/dbraw/zinc/15/39/13/171153913.db2.gz XZMQMCJIHDPPSQ-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366592 171165183 /nfs/dbraw/zinc/16/51/83/171165183.db2.gz MSQMVBFTOYHVFS-RKDXNWHRSA-N 0 0 289.206 3.709 10 0 CHAERN COc1ccccc1CNc1c(N)cccc1Cl ZINC000020382220 171173346 /nfs/dbraw/zinc/17/33/46/171173346.db2.gz PXBSMNUQZGUIIS-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Cc1ccc2oc([C@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389382 171178061 /nfs/dbraw/zinc/17/80/61/171178061.db2.gz MPKKTKPMPLXTKG-MRXNPFEDSA-N 0 0 255.292 3.928 10 0 CHAERN [NH3+][C@H](CCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000020423319 171190289 /nfs/dbraw/zinc/19/02/89/171190289.db2.gz DWTDIMVDCMAYIT-MRXNPFEDSA-N 0 0 269.344 3.608 10 0 CHAERN Cc1noc(C)c1CNc1ccc(F)cc1Br ZINC000020430245 171195075 /nfs/dbraw/zinc/19/50/75/171195075.db2.gz WEJUSFPBHPYALO-UHFFFAOYSA-N 0 0 299.143 3.805 10 0 CHAERN C[C@@H]1Cc2ccccc2N1c1cccc(Cl)c1CO ZINC000020434967 171200893 /nfs/dbraw/zinc/20/08/93/171200893.db2.gz IKPJPRCSZRRZMV-LLVKDONJSA-N 0 0 273.763 3.915 10 0 CHAERN Cc1ccc(F)c(Nc2ccc(C(N)=S)cc2)c1 ZINC000020471986 171214636 /nfs/dbraw/zinc/21/46/36/171214636.db2.gz LZQGSXYCADTRBW-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN Fc1c(F)c(F)c(NC(=S)c2ccco2)c(F)c1F ZINC000020479571 171221583 /nfs/dbraw/zinc/22/15/83/171221583.db2.gz AWZLBRHHCQOOTI-UHFFFAOYSA-N 0 0 293.216 3.763 10 0 CHAERN CC(C)[C@@H](C)Nc1ccccc1I ZINC000020480038 171221844 /nfs/dbraw/zinc/22/18/44/171221844.db2.gz NGAHRLZNYZIBDD-SECBINFHSA-N 0 0 289.160 3.748 10 0 CHAERN C[C@H]1C[C@H](Oc2cncc(Cl)n2)CC(C)(C)C1 ZINC000020513854 171231550 /nfs/dbraw/zinc/23/15/50/171231550.db2.gz NOXYMKZFFKBIFN-UWVGGRQHSA-N 0 0 254.761 3.724 10 0 CHAERN O=Cc1c(Cl)cccc1OCCCc1ccncc1 ZINC000020519662 171233519 /nfs/dbraw/zinc/23/35/19/171233519.db2.gz KWSDKYVAISOAID-UHFFFAOYSA-N 0 0 275.735 3.559 10 0 CHAERN CCOc1ccc(N[C@H](C)CC(C)(C)OC)cc1 ZINC000020524213 171237414 /nfs/dbraw/zinc/23/74/14/171237414.db2.gz SCFKHPRHROVXQQ-GFCCVEGCSA-N 0 0 251.370 3.701 10 0 CHAERN S=c1[nH]nc(C2CC2)n1Cc1ccc(Cl)cc1 ZINC000020588492 171259891 /nfs/dbraw/zinc/25/98/91/171259891.db2.gz GGZPRHXWHUPBIN-UHFFFAOYSA-N 0 0 265.769 3.520 10 0 CHAERN Cc1ccc(N2C(=S)N=NC2c2cccs2)c(F)c1 ZINC000020591292 171261516 /nfs/dbraw/zinc/26/15/16/171261516.db2.gz GULRZNJOSDPXAH-UHFFFAOYSA-N 0 0 291.376 3.732 10 0 CHAERN CC[C@H](C)c1ccc(OCC(=O)Nc2ccccn2)cc1 ZINC000021001509 171284609 /nfs/dbraw/zinc/28/46/09/171284609.db2.gz NRIJSLFFWFAIMH-ZDUSSCGKSA-N 0 0 284.359 3.613 10 0 CHAERN COc1ccc(N[C@@H]2CCCCc3ccccc32)cn1 ZINC000021013108 171288323 /nfs/dbraw/zinc/28/83/23/171288323.db2.gz UYZJALLJBDORNZ-MRXNPFEDSA-N 0 0 268.360 3.970 10 0 CHAERN CC(=O)c1ccc(N2c3ccccc3C[C@@H]2C)cc1 ZINC000021015287 171289525 /nfs/dbraw/zinc/28/95/25/171289525.db2.gz DSZAKFKTRBAAEL-LBPRGKRZSA-N 0 0 251.329 3.972 10 0 CHAERN CC(=O)c1ccc(N2c3ccccc3C[C@H]2C)cc1 ZINC000021015284 171289591 /nfs/dbraw/zinc/28/95/91/171289591.db2.gz DSZAKFKTRBAAEL-GFCCVEGCSA-N 0 0 251.329 3.972 10 0 CHAERN CC(C)c1ccccc1Nc1cc(C(N)=S)ccn1 ZINC000021512216 171310995 /nfs/dbraw/zinc/31/09/95/171310995.db2.gz YACUJHROBDIQOD-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN FC1(F)Oc2ccc(NC3CCCCC3)cc2O1 ZINC000021515649 171312602 /nfs/dbraw/zinc/31/26/02/171312602.db2.gz LAQQPXFNSOHELS-UHFFFAOYSA-N 0 0 255.264 3.753 10 0 CHAERN NC(=S)c1cccnc1Nc1cccc(Cl)c1Cl ZINC000021791985 171324185 /nfs/dbraw/zinc/32/41/85/171324185.db2.gz XHBCKWAQLPTNQE-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN CCOC(=O)c1c(N)scc1-c1ccc(SC)cc1 ZINC000021812793 171330089 /nfs/dbraw/zinc/33/00/89/171330089.db2.gz DQLXCZUAQWUVIL-UHFFFAOYSA-N 0 0 293.413 3.896 10 0 CHAERN COc1ccc(COc2ccc(Cl)cc2)cc1N ZINC000021815807 171331917 /nfs/dbraw/zinc/33/19/17/171331917.db2.gz PDMMXRIADXBBTI-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CCCCN(CC)c1ccc(C(F)(F)F)cc1N ZINC000021816217 171332511 /nfs/dbraw/zinc/33/25/11/171332511.db2.gz QHNPIYZSQUCWCO-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN COc1cc(C(=O)N[C@H](C)C(C)C)ccc1OCC(C)C ZINC000021871876 171335378 /nfs/dbraw/zinc/33/53/78/171335378.db2.gz YVCJTAVTNFHTIB-CYBMUJFWSA-N 0 0 293.407 3.504 10 0 CHAERN COc1cc(C=O)cc(Cl)c1OCc1csc(C)n1 ZINC000021951783 171340020 /nfs/dbraw/zinc/34/00/20/171340020.db2.gz CMKQSXDXHOEBFP-UHFFFAOYSA-N 0 0 297.763 3.505 10 0 CHAERN Nc1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000021966925 171343835 /nfs/dbraw/zinc/34/38/35/171343835.db2.gz RQEQBMWQRGZAGX-UHFFFAOYSA-N 0 0 262.312 3.674 10 0 CHAERN COC(=O)c1cc(Cl)c2cc(C(C)(C)C)ccc2n1 ZINC000021986837 171345768 /nfs/dbraw/zinc/34/57/68/171345768.db2.gz QCIUDRBCSJRWRF-UHFFFAOYSA-N 0 0 277.751 3.972 10 0 CHAERN O=c1cc(-c2ccccc2Cl)[nH]c2ccccc12 ZINC000021996431 171347217 /nfs/dbraw/zinc/34/72/17/171347217.db2.gz MDRZAPYNHGUKDK-UHFFFAOYSA-N 0 0 255.704 3.849 10 0 CHAERN Brc1nsc2c1cccc2Br ZINC000022008804 171348488 /nfs/dbraw/zinc/34/84/88/171348488.db2.gz RNPAWCKRLXLEQN-UHFFFAOYSA-N 0 0 292.983 3.821 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)c1 ZINC000022143745 171355958 /nfs/dbraw/zinc/35/59/58/171355958.db2.gz WLKZRPNJZWAYOZ-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1F ZINC000022147792 171357368 /nfs/dbraw/zinc/35/73/68/171357368.db2.gz QLUXCGXSJFGIDE-OCCSQVGLSA-N 0 0 250.313 3.986 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1nc2sccn2c1C=O ZINC000022158701 171363325 /nfs/dbraw/zinc/36/33/25/171363325.db2.gz OVAJMECNFOOYPG-PWSUYJOCSA-N 0 0 278.377 3.556 10 0 CHAERN CCCC[C@H](CC)COc1nc2sccn2c1C=O ZINC000022159565 171363817 /nfs/dbraw/zinc/36/38/17/171363817.db2.gz YMGZFFQPSPEFQL-NSHDSACASA-N 0 0 280.393 3.804 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(N)cc2Cl)c1C ZINC000022213137 171374457 /nfs/dbraw/zinc/37/44/57/171374457.db2.gz RQOWUPQELHXDNR-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)CCC1CCCC1 ZINC000022218427 171376560 /nfs/dbraw/zinc/37/65/60/171376560.db2.gz DXEMXYLBIFTEIV-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN Cc1nc2c(cc(OC[C@@H]3CO3)c3ccsc32)s1 ZINC000022221119 171377875 /nfs/dbraw/zinc/37/78/75/171377875.db2.gz GMTQYKIUICLYEU-QMMMGPOBSA-N 0 0 277.370 3.597 10 0 CHAERN CCNC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000022479679 171388645 /nfs/dbraw/zinc/38/86/45/171388645.db2.gz FRNWZNSBAORLRK-UHFFFAOYSA-N 0 0 287.344 3.698 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(Cl)c1 ZINC000024005389 171429992 /nfs/dbraw/zinc/42/99/92/171429992.db2.gz PXBGYOWMGZRFTJ-NWDGAFQWSA-N 0 0 263.768 3.874 10 0 CHAERN C[C@@H](NC(=O)N(C)Cc1ccccc1)c1cccs1 ZINC000026245956 171476022 /nfs/dbraw/zinc/47/60/22/171476022.db2.gz HMQPUOYNAPSFGY-GFCCVEGCSA-N 0 0 274.389 3.651 10 0 CHAERN CSC1=N[C@@H](c2ccccc2)Cc2ccccc2N1 ZINC000027406525 171516284 /nfs/dbraw/zinc/51/62/84/171516284.db2.gz IFJXEIMZIADSNX-OAHLLOKOSA-N 0 0 268.385 3.924 10 0 CHAERN CC(C)[C@H](CC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171565729 335071002 /nfs/dbraw/zinc/07/10/02/335071002.db2.gz GMRJYZMFAAQYML-HOCLYGCPSA-N 0 0 291.460 3.780 10 0 CHAERN C[C@H](NC(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000034704749 171863774 /nfs/dbraw/zinc/86/37/74/171863774.db2.gz QPOUGHQRILNRSG-SUIFULHWSA-N 0 0 269.319 3.716 10 0 CHAERN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1C=O ZINC000034926147 171894871 /nfs/dbraw/zinc/89/48/71/171894871.db2.gz BDIHPGPORXYLOM-UHFFFAOYSA-N 0 0 283.158 3.668 10 0 CHAERN FC(F)(F)c1cccc(Cl)c1NC[C@H]1CCOC1 ZINC000034956973 171902872 /nfs/dbraw/zinc/90/28/72/171902872.db2.gz HUHJQNKLYRBINP-MRVPVSSYSA-N 0 0 279.689 3.807 10 0 CHAERN CN[C@](Cc1ccccc1)(c1ccccc1)C(F)(F)F ZINC000034963000 171906269 /nfs/dbraw/zinc/90/62/69/171906269.db2.gz WCDWUJFICHUXLN-OAHLLOKOSA-N 0 0 279.305 3.906 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2ccc3scnc3c2N)C1 ZINC000035060827 171962252 /nfs/dbraw/zinc/96/22/52/171962252.db2.gz VVEUSQFXOIMCFL-NXEZZACHSA-N 0 0 261.394 3.869 10 0 CHAERN CCOCCNc1ccc(Br)cc1Cl ZINC000035098116 171976467 /nfs/dbraw/zinc/97/64/67/171976467.db2.gz BBUNTNSBJIVSAC-UHFFFAOYSA-N 0 0 278.577 3.551 10 0 CHAERN Cc1cc(F)ccc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134677 172001431 /nfs/dbraw/zinc/00/14/31/172001431.db2.gz HHOKSHWBUKGWNP-UHFFFAOYSA-N 0 0 268.291 3.868 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)c1c[nH]c2ccccc12 ZINC000035134588 172001464 /nfs/dbraw/zinc/00/14/64/172001464.db2.gz ZFBBHGHGOBSTDW-GFCCVEGCSA-N 0 0 256.349 3.573 10 0 CHAERN COc1ccc(O[C@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000035184176 172038195 /nfs/dbraw/zinc/03/81/95/172038195.db2.gz RVGUHHGEBFTNSA-CYBMUJFWSA-N 0 0 270.328 3.654 10 0 CHAERN COc1cc(C)ccc1O[C@H](C)C(=O)c1ccccc1 ZINC000035184713 172038292 /nfs/dbraw/zinc/03/82/92/172038292.db2.gz OKDBSZLVLUGJOJ-CYBMUJFWSA-N 0 0 270.328 3.654 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035284554 172102802 /nfs/dbraw/zinc/10/28/02/172102802.db2.gz JHXCDQDQMXIQQK-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN CC(C)Cn1cc(C=O)c(-c2ccc(Cl)s2)n1 ZINC000035286257 172104541 /nfs/dbraw/zinc/10/45/41/172104541.db2.gz MNHZNIGSWICTMK-UHFFFAOYSA-N 0 0 268.769 3.734 10 0 CHAERN Cc1[nH]nc(-c2cccc(Br)c2)c1Cl ZINC000035323246 172125585 /nfs/dbraw/zinc/12/55/85/172125585.db2.gz LVPGHJVAAVYQPG-UHFFFAOYSA-N 0 0 271.545 3.801 10 0 CHAERN COc1ccccc1Oc1ccc2scnc2c1N ZINC000035344831 172136668 /nfs/dbraw/zinc/13/66/68/172136668.db2.gz JHPFMOJNVIYJAN-UHFFFAOYSA-N 0 0 272.329 3.679 10 0 CHAERN Cc1csc(Sc2ccc3scnc3c2N)n1 ZINC000035345043 172136865 /nfs/dbraw/zinc/13/68/65/172136865.db2.gz VXZPAPZJQHIOEA-UHFFFAOYSA-N 0 0 279.415 3.795 10 0 CHAERN Cc1ccc(C(=O)c2c(F)cc(F)cc2F)s1 ZINC000035368882 172160381 /nfs/dbraw/zinc/16/03/81/172160381.db2.gz PULIMVWYSXIZKJ-UHFFFAOYSA-N 0 0 256.248 3.705 10 0 CHAERN Cc1cc(C(=O)c2c(C)[nH]c3ccccc32)c(C)o1 ZINC000035369125 172160809 /nfs/dbraw/zinc/16/08/09/172160809.db2.gz JAWUYHQUAGNSOC-UHFFFAOYSA-N 0 0 253.301 3.917 10 0 CHAERN CCc1cccc2c(C(=O)c3occc3C)c[nH]c21 ZINC000035369159 172160815 /nfs/dbraw/zinc/16/08/15/172160815.db2.gz LIVVJVBJSFKTKL-UHFFFAOYSA-N 0 0 253.301 3.863 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)o2)cc1Br ZINC000035369339 172160997 /nfs/dbraw/zinc/16/09/97/172160997.db2.gz YRUIIZBLIBPTHY-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN Cc1ccsc1C(=O)c1cn(C)c2ccccc12 ZINC000035369456 172161020 /nfs/dbraw/zinc/16/10/20/172161020.db2.gz WLBHMRIHOQIERD-UHFFFAOYSA-N 0 0 255.342 3.779 10 0 CHAERN CCOc1ccc(Br)cc1C(=O)c1ccco1 ZINC000035379449 172162479 /nfs/dbraw/zinc/16/24/79/172162479.db2.gz OYDIDIYSPLOZGF-UHFFFAOYSA-N 0 0 295.132 3.672 10 0 CHAERN Cc1ccc([C@H](N)c2ccc(Cl)c(Cl)c2)o1 ZINC000035382363 172165621 /nfs/dbraw/zinc/16/56/21/172165621.db2.gz LKPOHMDNSWROPF-GFCCVEGCSA-N 0 0 256.132 3.943 10 0 CHAERN CCCOc1ccc(C=O)c(OC2CCCCC2)c1 ZINC000035412731 172184685 /nfs/dbraw/zinc/18/46/85/172184685.db2.gz PZLJJLXLTVTDFP-UHFFFAOYSA-N 0 0 262.349 3.999 10 0 CHAERN CN[C@@H](c1ccc(Cl)s1)C(F)(F)C(F)(F)F ZINC000035497981 172231027 /nfs/dbraw/zinc/23/10/27/172231027.db2.gz LKGZDIHXRZIKEW-LURJTMIESA-N 0 0 279.661 3.860 10 0 CHAERN CN[C@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035501800 172236802 /nfs/dbraw/zinc/23/68/02/172236802.db2.gz RTFZCVJAFFUKBE-LBPRGKRZSA-N 0 0 256.132 3.895 10 0 CHAERN CC[C@@H]([NH2+]CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000035625532 172304835 /nfs/dbraw/zinc/30/48/35/172304835.db2.gz APTMZQXMIRPJSZ-LLVKDONJSA-N 0 0 276.163 3.509 10 0 CHAERN Cc1cc2ncn(-c3ccc([C@@H](C)O)cc3F)c2cc1C ZINC000035631822 172313836 /nfs/dbraw/zinc/31/38/36/172313836.db2.gz RKPXURCXRJHVRM-GFCCVEGCSA-N 0 0 284.334 3.835 10 0 CHAERN Cc1ccc(NC(=O)c2cc(N)ccc2F)c(Cl)c1 ZINC000035651477 172327658 /nfs/dbraw/zinc/32/76/58/172327658.db2.gz FGNVMTSQWYXVLZ-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)c1cc(N)ccc1F ZINC000035651392 172327682 /nfs/dbraw/zinc/32/76/82/172327682.db2.gz OAVDTNHJESLUBV-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Nc1cc(C(=O)NCc2cccc(Cl)c2)ccc1Cl ZINC000035661223 172338993 /nfs/dbraw/zinc/33/89/93/172338993.db2.gz VBWDMBVHVHKTEZ-UHFFFAOYSA-N 0 0 295.169 3.506 10 0 CHAERN CN(Cc1cccs1)Cc1cc(N)ccc1Cl ZINC000035716593 172370279 /nfs/dbraw/zinc/37/02/79/172370279.db2.gz SVJVNVJVRYIVGS-UHFFFAOYSA-N 0 0 266.797 3.616 10 0 CHAERN Cc1ccc(Oc2cccc3c(=O)cc[nH]c23)cc1 ZINC000035731142 172381667 /nfs/dbraw/zinc/38/16/67/172381667.db2.gz FCNHSVPOVKLXTM-UHFFFAOYSA-N 0 0 251.285 3.629 10 0 CHAERN C[C@H]([C@@H]1CCCO1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035736450 172389131 /nfs/dbraw/zinc/38/91/31/172389131.db2.gz NRALLGJXFYITMX-RISCZKNCSA-N 0 0 274.389 3.953 10 0 CHAERN Cc1nc([C@@H](C)N[C@H](C)c2ccco2)c(C)s1 ZINC000035738568 172391371 /nfs/dbraw/zinc/39/13/71/172391371.db2.gz BWCDTVLSVMMLFX-RKDXNWHRSA-N 0 0 250.367 3.765 10 0 CHAERN C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738856 172392344 /nfs/dbraw/zinc/39/23/44/172392344.db2.gz NYCZWGNTBCYXDK-UWVGGRQHSA-N 0 0 251.276 3.970 10 0 CHAERN COC(=O)C[C@H](C)Sc1cccc(C(F)(F)F)c1 ZINC000035741119 172394709 /nfs/dbraw/zinc/39/47/09/172394709.db2.gz KTNUKCGMAZLUSO-QMMMGPOBSA-N 0 0 278.295 3.749 10 0 CHAERN Cc1ccccc1[C@@H]1c2ccccc2CCN1C(=O)N(C)C ZINC000036113763 172444179 /nfs/dbraw/zinc/44/41/79/172444179.db2.gz GEYJNCVPSHPQQX-GOSISDBHSA-N 0 0 294.398 3.624 10 0 CHAERN Cc1ccc2c(c1)CCN(C(=O)c1ccncc1)[C@H]2C(C)C ZINC000036114060 172444527 /nfs/dbraw/zinc/44/45/27/172444527.db2.gz XSALLYWHYTZTIX-SFHVURJKSA-N 0 0 294.398 3.786 10 0 CHAERN CCN(CC)C(=O)c1cc2cc(C)cc(C)c2nc1Cl ZINC000036175039 172494989 /nfs/dbraw/zinc/49/49/89/172494989.db2.gz WAMHVTYQBGCMSD-UHFFFAOYSA-N 0 0 290.794 3.987 10 0 CHAERN Nc1cc(Cl)cnc1Nc1ccc(Br)cc1 ZINC000036242707 172540347 /nfs/dbraw/zinc/54/03/47/172540347.db2.gz AFONNVOQABLBBS-UHFFFAOYSA-N 0 0 298.571 3.823 10 0 CHAERN Nc1cnc(NC2CCCCCC2)c(Br)c1 ZINC000036244917 172544492 /nfs/dbraw/zinc/54/44/92/172544492.db2.gz LCNCFFUALLNUJG-UHFFFAOYSA-N 0 0 284.201 3.561 10 0 CHAERN CCCCN(C)c1nc(Cl)nc2sc(C)cc21 ZINC000036276795 172567821 /nfs/dbraw/zinc/56/78/21/172567821.db2.gz IJBFTTOEDRIXEP-UHFFFAOYSA-N 0 0 269.801 3.889 10 0 CHAERN Cc1ccc(C(=O)COc2ccc3c(c2)CCC3)s1 ZINC000036324503 172609290 /nfs/dbraw/zinc/60/92/90/172609290.db2.gz OQFVJKXTNPHAIS-UHFFFAOYSA-N 0 0 272.369 3.807 10 0 CHAERN O[C@@H](c1ccc(-c2ccccc2)cc1)C(F)(F)F ZINC000036428113 172635771 /nfs/dbraw/zinc/63/57/71/172635771.db2.gz DUMLNCXCCQGZOS-ZDUSSCGKSA-N 0 0 252.235 3.949 10 0 CHAERN Cc1n[nH]c(C)c1NC(=O)c1c(Cl)cccc1Cl ZINC000036734130 172665334 /nfs/dbraw/zinc/66/53/34/172665334.db2.gz XBQZKBWTKXGCRY-UHFFFAOYSA-N 0 0 284.146 3.586 10 0 CHAERN CSCC[C@H](N)c1nc2cc(C(C)(C)C)ccc2o1 ZINC000036749735 172676973 /nfs/dbraw/zinc/67/69/73/172676973.db2.gz JTAWYMMQUPWIKU-NSHDSACASA-N 0 0 278.421 3.878 10 0 CHAERN CC(C)c1nn(-c2ccc(Br)cc2)cc1C=O ZINC000036894325 172786882 /nfs/dbraw/zinc/78/68/82/172786882.db2.gz OREXVZJVFPOEKP-UHFFFAOYSA-N 0 0 293.164 3.571 10 0 CHAERN CCOC(=O)c1sc(-c2c(F)cccc2Cl)cc1N ZINC000036929281 172810791 /nfs/dbraw/zinc/81/07/91/172810791.db2.gz RUXLJLVJDCMMRV-UHFFFAOYSA-N 0 0 299.754 3.967 10 0 CHAERN COc1cccc(CC(=O)c2ccc(Cl)s2)c1 ZINC000036943143 172818854 /nfs/dbraw/zinc/81/88/54/172818854.db2.gz YYYPGCLWTDXQMJ-UHFFFAOYSA-N 0 0 266.749 3.836 10 0 CHAERN CCOc1nc(Oc2cc(C)ccc2Cl)ccc1N ZINC000037077722 172935061 /nfs/dbraw/zinc/93/50/61/172935061.db2.gz GYINJUPBGHPPBU-UHFFFAOYSA-N 0 0 278.739 3.817 10 0 CHAERN CCC1CCC([NH2+][C@H](CC(=O)[O-])c2cccs2)CC1 ZINC000037087894 172945264 /nfs/dbraw/zinc/94/52/64/172945264.db2.gz CIKHMGAMKJHEHP-WXRRBKDZSA-N 0 0 281.421 3.822 10 0 CHAERN CCCC(CCC)Nc1cccnc1-n1cccn1 ZINC000037122061 172970216 /nfs/dbraw/zinc/97/02/16/172970216.db2.gz QOJFRTPWWMDKOU-UHFFFAOYSA-N 0 0 258.369 3.648 10 0 CHAERN Cc1ccc(N[C@H](C)c2ccc(O)cc2)c(C)c1O ZINC000037130505 172974389 /nfs/dbraw/zinc/97/43/89/172974389.db2.gz ICRONHLEZLUWLJ-GFCCVEGCSA-N 0 0 257.333 3.888 10 0 CHAERN FC(F)Oc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000037217459 173036066 /nfs/dbraw/zinc/03/60/66/173036066.db2.gz XOGVSPHGJFQGIZ-JIMOISOXSA-N 0 0 251.276 3.665 10 0 CHAERN CC[C@H](Nc1cccc(O)c1)c1ccccc1OC ZINC000037237806 173055268 /nfs/dbraw/zinc/05/52/68/173055268.db2.gz KYOBGHWTORBLKT-HNNXBMFYSA-N 0 0 257.333 3.964 10 0 CHAERN Cc1n[nH]c(C)c1N[C@H](C)c1c(C)cc(C)nc1C ZINC000037261711 173071592 /nfs/dbraw/zinc/07/15/92/173071592.db2.gz QYLWHWOGRMQVOW-LLVKDONJSA-N 0 0 258.369 3.520 10 0 CHAERN CCCOc1ccccc1N[C@H]1CCCC[C@H]1OC ZINC000037278241 173088285 /nfs/dbraw/zinc/08/82/85/173088285.db2.gz USDQUDYCGYTYOQ-DZGCQCFKSA-N 0 0 263.381 3.845 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)CSc2ccccc2)c1 ZINC000037285508 173091778 /nfs/dbraw/zinc/09/17/78/173091778.db2.gz LWVINBIEVKZLSH-UHFFFAOYSA-N 0 0 292.791 3.653 10 0 CHAERN CC(C)(C)c1nn(-c2cccc(Cl)c2)cc1C=O ZINC000037311280 173113529 /nfs/dbraw/zinc/11/35/29/173113529.db2.gz XWQMTZBFRMCHFI-UHFFFAOYSA-N 0 0 262.740 3.636 10 0 CHAERN OCc1ccccc1N[C@@H]1CSCc2ccccc21 ZINC000037317167 173117172 /nfs/dbraw/zinc/11/71/72/173117172.db2.gz XPCJEZLRGKLMQZ-MRXNPFEDSA-N 0 0 271.385 3.579 10 0 CHAERN Oc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000037324182 173125068 /nfs/dbraw/zinc/12/50/68/173125068.db2.gz NDLCXMUVSVJHCV-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN Clc1ccc2nnc(Cc3cccc4ccccc43)n2n1 ZINC000037325164 173125457 /nfs/dbraw/zinc/12/54/57/173125457.db2.gz FUCYTJJZKKJJLY-UHFFFAOYSA-N 0 0 294.745 3.522 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCC(=O)c1ccc(F)cc1F ZINC000037343603 173143274 /nfs/dbraw/zinc/14/32/74/173143274.db2.gz VKYBKULRUKYTAT-MEBBXXQBSA-N 0 0 268.303 3.743 10 0 CHAERN CCOc1ccc(C(=O)COCCCC(C)C)cc1 ZINC000037349411 173144448 /nfs/dbraw/zinc/14/44/48/173144448.db2.gz OIVSGWKTKNULDG-UHFFFAOYSA-N 0 0 264.365 3.721 10 0 CHAERN C[C@H]1CCC[C@@H](OCC(=O)c2c(F)cccc2F)C1 ZINC000037350397 173144904 /nfs/dbraw/zinc/14/49/04/173144904.db2.gz WXRLLQJKKHUZAN-WDEREUQCSA-N 0 0 268.303 3.743 10 0 CHAERN O=C(c1ccc2c(c1)CCC2)c1cc(F)cc(F)c1 ZINC000037360284 173150354 /nfs/dbraw/zinc/15/03/54/173150354.db2.gz QPPAOQUENASVCQ-UHFFFAOYSA-N 0 0 258.267 3.685 10 0 CHAERN Fc1cccc(F)c1NCc1ccc2c(c1)CCO2 ZINC000037362975 173151722 /nfs/dbraw/zinc/15/17/22/173151722.db2.gz JNPADAMCBGBNRE-UHFFFAOYSA-N 0 0 261.271 3.512 10 0 CHAERN Cc1nn(C)c(Cl)c1COc1ccc(Cl)c(C)c1 ZINC000037408785 173184765 /nfs/dbraw/zinc/18/47/65/173184765.db2.gz LYXCSODFVJAENC-UHFFFAOYSA-N 0 0 285.174 3.923 10 0 CHAERN CC(C)OC(=O)c1cc(-c2ccccc2)ccc1N ZINC000037408737 173184883 /nfs/dbraw/zinc/18/48/83/173184883.db2.gz VVIHPBSPCOAENB-UHFFFAOYSA-N 0 0 255.317 3.501 10 0 CHAERN Cc1n[nH]c(C)c1NCc1cc(Cl)cc(Cl)c1 ZINC000037423906 173199410 /nfs/dbraw/zinc/19/94/10/173199410.db2.gz CLLIDAYOEGKXNQ-UHFFFAOYSA-N 0 0 270.163 3.945 10 0 CHAERN CNc1ccccc1-c1nc2cc(C)ccc2n1C ZINC000037437940 173208823 /nfs/dbraw/zinc/20/88/23/173208823.db2.gz RJFVQFBZGNOYPC-UHFFFAOYSA-N 0 0 251.333 3.590 10 0 CHAERN C[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1F ZINC000037530711 173252945 /nfs/dbraw/zinc/25/29/45/173252945.db2.gz GSKAQLDJXLEUAG-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN COc1ccccc1[C@@H](O)Cc1ccc(Cl)cc1 ZINC000037532047 173253309 /nfs/dbraw/zinc/25/33/09/173253309.db2.gz PMYUREDSWUNLRS-AWEZNQCLSA-N 0 0 262.736 3.625 10 0 CHAERN COc1cccc([C@H](O)Cc2ccccc2Cl)c1 ZINC000037532154 173253528 /nfs/dbraw/zinc/25/35/28/173253528.db2.gz HCUIJANPZOCMIU-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000037532318 173253863 /nfs/dbraw/zinc/25/38/63/173253863.db2.gz GKNUJABWPQBXKD-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN Cn1ccc(N[C@H]2CCOc3c(Cl)cc(Cl)cc32)n1 ZINC000037560828 173271129 /nfs/dbraw/zinc/27/11/29/173271129.db2.gz AZKGKNGNLHQMTI-NSHDSACASA-N 0 0 298.173 3.663 10 0 CHAERN Clc1ccc(N[C@@H]2CCSC2)c2ncccc12 ZINC000037767294 173696748 /nfs/dbraw/zinc/69/67/48/173696748.db2.gz MAPOFGHVIYWFIS-SECBINFHSA-N 0 0 264.781 3.806 10 0 CHAERN Clc1ccc(-n2cccn2)c(NCc2ccco2)c1 ZINC000037774423 173707170 /nfs/dbraw/zinc/70/71/70/173707170.db2.gz DZFIYBFCANUUBT-UHFFFAOYSA-N 0 0 273.723 3.731 10 0 CHAERN COCCOc1cc(C)ccc1N[C@H](C)C1(C)CC1 ZINC000037779076 173709897 /nfs/dbraw/zinc/70/98/97/173709897.db2.gz VQZPXUXRJATCSG-CYBMUJFWSA-N 0 0 263.381 3.621 10 0 CHAERN CCN[C@@H](CC(F)(F)F)c1c(F)cc(OC)cc1F ZINC000037903658 173834789 /nfs/dbraw/zinc/83/47/89/173834789.db2.gz WVIJYOKGXFZEMB-JTQLQIEISA-N 0 0 283.240 3.576 10 0 CHAERN COC(=O)[C@]1(Nc2cccc(C)c2)CCCC[C@H]1C ZINC000037958064 173900628 /nfs/dbraw/zinc/90/06/28/173900628.db2.gz NGYJKEADGARULW-CJNGLKHVSA-N 0 0 261.365 3.529 10 0 CHAERN COC(=O)[C@@](C)(NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000037970087 173919178 /nfs/dbraw/zinc/91/91/78/173919178.db2.gz BQLNUYWKCLWLAM-SFHVURJKSA-N 0 0 289.419 3.730 10 0 CHAERN COC(=O)[C@@H](NC1CCCCCC1)c1ccc(C)cc1C ZINC000037972614 173925277 /nfs/dbraw/zinc/92/52/77/173925277.db2.gz QAQYYNJVGYANIL-KRWDZBQOSA-N 0 0 289.419 3.830 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cccnc1Cl ZINC000037974802 173929286 /nfs/dbraw/zinc/92/92/86/173929286.db2.gz GHZPMKGRPQQLEY-NSHDSACASA-N 0 0 274.751 3.534 10 0 CHAERN Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(O)cc2)cc1 ZINC000037982869 173944109 /nfs/dbraw/zinc/94/41/09/173944109.db2.gz ISFVRTDYFLONFB-ZDUSSCGKSA-N 0 0 284.359 3.926 10 0 CHAERN C[C@@H](c1cc(F)ccc1F)N1CCc2c(N)cccc2C1 ZINC000038032452 174029244 /nfs/dbraw/zinc/02/92/44/174029244.db2.gz NIWBAVMAVFOULD-NSHDSACASA-N 0 0 288.341 3.666 10 0 CHAERN Nc1ccc(Cl)c(Nc2ncnc3sccc32)c1 ZINC000038033827 174032379 /nfs/dbraw/zinc/03/23/79/174032379.db2.gz FBACQOPZYOJVPO-UHFFFAOYSA-N 0 0 276.752 3.671 10 0 CHAERN Nc1cc(F)c(N(Cc2ccccc2)C2CC2)c(F)c1 ZINC000038040159 174040364 /nfs/dbraw/zinc/04/03/64/174040364.db2.gz PDHMUGNQJPZBRQ-UHFFFAOYSA-N 0 0 274.314 3.716 10 0 CHAERN CCn1c(CN[C@@H](C)c2ccco2)nc2ccccc21 ZINC000038046769 174055898 /nfs/dbraw/zinc/05/58/98/174055898.db2.gz QHUGVXABCPKQQF-LBPRGKRZSA-N 0 0 269.348 3.500 10 0 CHAERN CSCCCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000038063587 174074785 /nfs/dbraw/zinc/07/47/85/174074785.db2.gz MLIAMIUZYLNYRU-UHFFFAOYSA-N 0 0 293.219 3.657 10 0 CHAERN CC[C@@H](C)NC1(C(=O)OC)CCC(C(C)(C)C)CC1 ZINC000038067022 174078389 /nfs/dbraw/zinc/07/83/89/174078389.db2.gz MNVNZIZGBCRBAC-VEAWUBTESA-N 0 0 269.429 3.523 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1ccccc1Cl ZINC000038067676 174079201 /nfs/dbraw/zinc/07/92/01/174079201.db2.gz VRGNEMRZDOVDIH-ABAIWWIYSA-N 0 0 283.799 3.506 10 0 CHAERN CCOC(=O)[C@@](CC)(C[C@@H](C)CC)N[C@@H](C)CC ZINC000038067831 174079687 /nfs/dbraw/zinc/07/96/87/174079687.db2.gz AFSNJYULCKGUNB-KCQAQPDRSA-N 0 0 257.418 3.523 10 0 CHAERN CCOC(=O)[C@@](CC)(C[C@H](C)CC)N[C@@H](C)CC ZINC000038067830 174080173 /nfs/dbraw/zinc/08/01/73/174080173.db2.gz AFSNJYULCKGUNB-VNHYZAJKSA-N 0 0 257.418 3.523 10 0 CHAERN COc1cc(C=O)c(-c2ccccc2Cl)cc1OC ZINC000038078185 174088237 /nfs/dbraw/zinc/08/82/37/174088237.db2.gz LSAQMLJSDCTPOB-UHFFFAOYSA-N 0 0 276.719 3.837 10 0 CHAERN Cc1csc(CN[C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038091136 174104794 /nfs/dbraw/zinc/10/47/94/174104794.db2.gz QGENJHZTUWZHPO-OAHLLOKOSA-N 0 0 276.380 3.832 10 0 CHAERN CCOCc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000038103238 174119768 /nfs/dbraw/zinc/11/97/68/174119768.db2.gz HQPQLEWPXHEXQE-UHFFFAOYSA-N 0 0 273.307 3.615 10 0 CHAERN FC(F)(F)c1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000038540252 174146165 /nfs/dbraw/zinc/14/61/65/174146165.db2.gz IECNBQLAQJXRHB-UHFFFAOYSA-N 0 0 273.645 3.892 10 0 CHAERN CC(C)(C)OC(=O)N=c1[nH]c2ccccc2s1 ZINC000038863898 174157936 /nfs/dbraw/zinc/15/79/36/174157936.db2.gz JWQBIRJVULZPNO-UHFFFAOYSA-N 0 0 250.323 3.643 10 0 CHAERN O=C(Oc1snc2ccccc21)c1ccccc1 ZINC000039213097 174166234 /nfs/dbraw/zinc/16/62/34/174166234.db2.gz YHJSXRPXFJNPNH-UHFFFAOYSA-N 0 0 255.298 3.516 10 0 CHAERN CCSc1nn2cc(-c3ccccc3)nc2s1 ZINC000039239029 174166918 /nfs/dbraw/zinc/16/69/18/174166918.db2.gz YOHCOVVQFDXXES-UHFFFAOYSA-N 0 0 261.375 3.570 10 0 CHAERN Clc1cc(Cl)n2ncc(-c3ccccc3)c2n1 ZINC000039651355 174171508 /nfs/dbraw/zinc/17/15/08/174171508.db2.gz OJEWOCLEYFXORC-UHFFFAOYSA-N 0 0 264.115 3.703 10 0 CHAERN Cc1cc(C)c(Cn2c3ccccc3nc2CCO)c(C)c1 ZINC000040225226 174207824 /nfs/dbraw/zinc/20/78/24/174207824.db2.gz ABFOOEMCPIKLKN-UHFFFAOYSA-N 0 0 294.398 3.545 10 0 CHAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040239580 174211841 /nfs/dbraw/zinc/21/18/41/174211841.db2.gz JQLIJYRMLKSZJS-UHFFFAOYSA-N 0 0 294.354 3.575 10 0 CHAERN CCOC(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040239711 174212547 /nfs/dbraw/zinc/21/25/47/174212547.db2.gz OTKYZRGWADPGMF-UHFFFAOYSA-N 0 0 294.354 3.575 10 0 CHAERN COc1ccc(Br)cc1[C@H](O)c1cccs1 ZINC000040241653 174213575 /nfs/dbraw/zinc/21/35/75/174213575.db2.gz JBAOTMZBEOIXSH-LBPRGKRZSA-N 0 0 299.189 3.601 10 0 CHAERN CCOCCCn1c2ccccc2nc1-c1ccco1 ZINC000040389506 174252414 /nfs/dbraw/zinc/25/24/14/174252414.db2.gz HVUDPDDKKPVROA-UHFFFAOYSA-N 0 0 270.332 3.723 10 0 CHAERN CCOCCCn1c2ccccc2nc1C(C)(C)C ZINC000040389482 174252438 /nfs/dbraw/zinc/25/24/38/174252438.db2.gz GWLYGLPDJSCTKO-UHFFFAOYSA-N 0 0 260.381 3.760 10 0 CHAERN COCCCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040402760 174253801 /nfs/dbraw/zinc/25/38/01/174253801.db2.gz AHSSOWOXYORPET-UHFFFAOYSA-N 0 0 266.772 3.850 10 0 CHAERN CCOCCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040405056 174253942 /nfs/dbraw/zinc/25/39/42/174253942.db2.gz MFILTTFZOHAWDB-UHFFFAOYSA-N 0 0 266.772 3.850 10 0 CHAERN Cc1ccc(COc2ccc3nc(N)sc3c2)cc1 ZINC000040542004 174322746 /nfs/dbraw/zinc/32/27/46/174322746.db2.gz FTFVJJZKTAFRIM-UHFFFAOYSA-N 0 0 270.357 3.766 10 0 CHAERN Nc1c(Cl)ncnc1Oc1ccc2ccccc2c1 ZINC000040571656 174338285 /nfs/dbraw/zinc/33/82/85/174338285.db2.gz ICMQPXKJCQVADG-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN CCCCOc1ccc(Nc2ncnc(Cl)c2N)cc1 ZINC000040571811 174338890 /nfs/dbraw/zinc/33/88/90/174338890.db2.gz TZVZFEYQNJWHNC-UHFFFAOYSA-N 0 0 292.770 3.635 10 0 CHAERN Cc1ccc(/C=C/C(=O)Oc2ccccc2C)cc1 ZINC000040868379 174426946 /nfs/dbraw/zinc/42/69/46/174426946.db2.gz VPXFJWCCLHLVPZ-VAWYXSNFSA-N 0 0 252.313 3.922 10 0 CHAERN Cc1ccc(COc2ccc([C@@H](C)O)cc2C)cc1 ZINC000041326746 174523139 /nfs/dbraw/zinc/52/31/39/174523139.db2.gz QEGFQQLMVYCIGB-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1cccc(-c2[nH]nc(N)c2-c2cccc(C)c2)c1 ZINC000041356697 174534586 /nfs/dbraw/zinc/53/45/86/174534586.db2.gz LHDFOMHLGMGHFZ-UHFFFAOYSA-N 0 0 263.344 3.943 10 0 CHAERN COc1ccc(C[C@@H](CO)Cc2ccc(C)cc2)cc1F ZINC000041464706 174556672 /nfs/dbraw/zinc/55/66/72/174556672.db2.gz KGYLBZUONGATAK-INIZCTEOSA-N 0 0 288.362 3.536 10 0 CHAERN CC(C)C[C@H](C)N(C)c1ccc(F)cc1[C@@H](C)O ZINC000042586053 174808341 /nfs/dbraw/zinc/80/83/41/174808341.db2.gz PTSRDYYKLVIFNI-NWDGAFQWSA-N 0 0 253.361 3.750 10 0 CHAERN CCCC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H](C)CC ZINC000042608294 174821272 /nfs/dbraw/zinc/82/12/72/174821272.db2.gz SNXGMTNPZBGGAT-ZDUSSCGKSA-N 0 0 263.381 3.785 10 0 CHAERN O=Cc1c(Cl)cccc1N(CC(F)(F)F)C1CC1 ZINC000042770337 174870790 /nfs/dbraw/zinc/87/07/90/174870790.db2.gz RMNRFOINVFBTJW-UHFFFAOYSA-N 0 0 277.673 3.684 10 0 CHAERN CCCN(CC(=O)c1ccccc1Cl)CC(F)(F)F ZINC000042776527 174874166 /nfs/dbraw/zinc/87/41/66/174874166.db2.gz FKDONIDBGZPZFI-UHFFFAOYSA-N 0 0 293.716 3.797 10 0 CHAERN Cc1ccc([C@H](O)CN2c3ccccc3C[C@@H]2C)cc1C ZINC000043501788 175058602 /nfs/dbraw/zinc/05/86/02/175058602.db2.gz CKOODMHOQUGMGY-HNAYVOBHSA-N 0 0 281.399 3.788 10 0 CHAERN CC(C)(C)C(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000043651801 175085283 /nfs/dbraw/zinc/08/52/83/175085283.db2.gz LZAOMFQNAWJGIW-ZIAGYGMSSA-N 0 0 258.361 3.755 10 0 CHAERN O[C@H]1CCCCC[C@H]1Cc1c(F)cccc1Cl ZINC000043659032 175085864 /nfs/dbraw/zinc/08/58/64/175085864.db2.gz RREZNDBJUJTUDL-HZMBPMFUSA-N 0 0 256.748 3.963 10 0 CHAERN Cc1nn(Cc2ccc(C(C)C)cc2)c(N)c1Cl ZINC000043667428 175086507 /nfs/dbraw/zinc/08/65/07/175086507.db2.gz JEPCPZCFZQHGHA-UHFFFAOYSA-N 0 0 263.772 3.599 10 0 CHAERN Cc1cc(OCc2sccc2Br)ccc1N ZINC000043674186 175088070 /nfs/dbraw/zinc/08/80/70/175088070.db2.gz KFAXGODVOFYOKV-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN FC(F)(F)COCc1ccc(Br)s1 ZINC000043679137 175089903 /nfs/dbraw/zinc/08/99/03/175089903.db2.gz NKZLUYQGZXHTGB-UHFFFAOYSA-N 0 0 275.089 3.590 10 0 CHAERN Brc1csc(COC2CCCC2)c1 ZINC000043687507 175095033 /nfs/dbraw/zinc/09/50/33/175095033.db2.gz XKUVIKMDRGQBJU-UHFFFAOYSA-N 0 0 261.184 3.970 10 0 CHAERN CCC[C@@H](O)CCc1cc(Br)cs1 ZINC000043688708 175095998 /nfs/dbraw/zinc/09/59/98/175095998.db2.gz ARRIKLNKRRLFQQ-SECBINFHSA-N 0 0 263.200 3.604 10 0 CHAERN Cc1cccc(-c2nc(Br)cs2)c1 ZINC000044119028 175142185 /nfs/dbraw/zinc/14/21/85/175142185.db2.gz AUDRVZDUJSFFMP-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Cc1ccccc1-c1noc(-c2cccc(N)c2C)n1 ZINC000045894369 175385770 /nfs/dbraw/zinc/38/57/70/175385770.db2.gz BSCVAGZPZSBYJT-UHFFFAOYSA-N 0 0 265.316 3.603 10 0 CHAERN Brc1ccc2ncn(-c3ccccc3)c2c1 ZINC000059556597 175632593 /nfs/dbraw/zinc/63/25/93/175632593.db2.gz DLJMNMLAXDXKOM-UHFFFAOYSA-N 0 0 273.133 3.788 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167957 176049539 /nfs/dbraw/zinc/04/95/39/176049539.db2.gz WRFJBYQLACJVQW-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN COc1ccc(C)cc1[C@H](C)Nc1cnccc1C ZINC000071413369 176158421 /nfs/dbraw/zinc/15/84/21/176158421.db2.gz HRJZYFDFZSBUGW-ZDUSSCGKSA-N 0 0 256.349 3.880 10 0 CHAERN Cc1c(Br)c2ccc(Cl)cc2n1C ZINC000071494966 176191830 /nfs/dbraw/zinc/19/18/30/176191830.db2.gz LVJQQIVMSPMMTQ-UHFFFAOYSA-N 0 0 258.546 3.903 10 0 CHAERN Cc1c(Br)c2cccc(Cl)c2n1C ZINC000071494973 176191809 /nfs/dbraw/zinc/19/18/09/176191809.db2.gz CIYDIJPWNNJFCJ-UHFFFAOYSA-N 0 0 258.546 3.903 10 0 CHAERN Clc1ccccc1-c1nccc(Br)n1 ZINC000071600858 176226877 /nfs/dbraw/zinc/22/68/77/176226877.db2.gz ICDRLVZOWMWWQD-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN N[C@@H](c1ccccc1-c1ccccc1)C(F)(F)F ZINC000072190830 176336387 /nfs/dbraw/zinc/33/63/87/176336387.db2.gz XXAHYSPSXGDWCC-ZDUSSCGKSA-N 0 0 251.251 3.916 10 0 CHAERN Brc1cc(Br)nc(C2CCC2)c1 ZINC000072193437 176336743 /nfs/dbraw/zinc/33/67/43/176336743.db2.gz GZYSBWULBDPKER-UHFFFAOYSA-N 0 0 290.986 3.874 10 0 CHAERN Nc1onc(-c2ccc(Cl)cc2)c1-c1ccccn1 ZINC000076412789 177020799 /nfs/dbraw/zinc/02/07/99/177020799.db2.gz UZJMDHQMBKEPKB-UHFFFAOYSA-N 0 0 271.707 3.639 10 0 CHAERN Cc1nc(NC2CCCCC2)sc1Br ZINC000076436971 177025183 /nfs/dbraw/zinc/02/51/83/177025183.db2.gz XATIZSTVMWBHQS-UHFFFAOYSA-N 0 0 275.215 3.959 10 0 CHAERN CNc1nnc(-c2cc3cc(Cl)ccc3o2)s1 ZINC000077070039 177185502 /nfs/dbraw/zinc/18/55/02/177185502.db2.gz JELMIFZZTPNJFX-UHFFFAOYSA-N 0 0 265.725 3.646 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)CC(F)F)cc1 ZINC000171727576 335076093 /nfs/dbraw/zinc/07/60/93/335076093.db2.gz LOJDJCLUNFSNDO-LLVKDONJSA-N 0 0 284.350 3.778 10 0 CHAERN Fc1ccc2ncnc(N3CC[C@H]4CCCC[C@H]43)c2c1 ZINC000301576382 227595291 /nfs/dbraw/zinc/59/52/91/227595291.db2.gz NTUWKBZMFFAMAB-IAQYHMDHSA-N 0 0 271.339 3.538 10 0 CHAERN Cc1cc(-c2nc(C(C)(C)C3CCC3)no2)ccn1 ZINC000333279170 228195562 /nfs/dbraw/zinc/19/55/62/228195562.db2.gz XNXZIADFBHKCCQ-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN CCCOc1ccc(/C=C\C(=O)NC2CCCCC2)cc1 ZINC000005852018 260020676 /nfs/dbraw/zinc/02/06/76/260020676.db2.gz ZOOIMUJPLINVFO-RAXLEYEMSA-N 0 0 287.403 3.938 10 0 CHAERN CC(=O)c1cccc([N-]c2nc(-c3ccccc3F)no2)c1 ZINC000009726778 260037129 /nfs/dbraw/zinc/03/71/29/260037129.db2.gz PADJWXCRGKNLNJ-UHFFFAOYSA-N 0 0 297.289 3.822 10 0 CHAERN COc1ccc2c(c1)CCC[C@H]2Nc1cccnc1OC ZINC000037070597 260066501 /nfs/dbraw/zinc/06/65/01/260066501.db2.gz JZWSVYKJBGEDFB-OAHLLOKOSA-N 0 0 284.359 3.588 10 0 CHAERN O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCN2 ZINC000037323113 260088016 /nfs/dbraw/zinc/08/80/16/260088016.db2.gz WWBDZDSILYYORM-UHFFFAOYSA-N 0 0 272.735 3.560 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000078587969 260168433 /nfs/dbraw/zinc/16/84/33/260168433.db2.gz KMTKDMZUXRDLBT-BDAKNGLRSA-N 0 0 291.342 3.582 10 0 CHAERN C[C@@H](NCc1ccsc1Cl)c1cncc(F)c1 ZINC000312749747 260196354 /nfs/dbraw/zinc/19/63/54/260196354.db2.gz UPMLVOCTQPQPGY-MRVPVSSYSA-N 0 0 270.760 3.786 10 0 CHAERN Cc1nnc(N[C@@H](C)c2ccccc2Br)s1 ZINC000077487102 260297183 /nfs/dbraw/zinc/29/71/83/260297183.db2.gz CYYFVHSVDZSCBX-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000041786892 260608929 /nfs/dbraw/zinc/60/89/29/260608929.db2.gz DRURQNJWQKVOCP-UHFFFAOYSA-N 0 0 271.282 3.538 10 0 CHAERN CCn1ccnc1CNc1ccc(C(F)(F)F)cc1 ZINC000051920782 260975672 /nfs/dbraw/zinc/97/56/72/260975672.db2.gz UBXYVYWHHUVRHN-UHFFFAOYSA-N 0 0 269.270 3.534 10 0 CHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N(C)C2CC2)cc1 ZINC000155445431 261102023 /nfs/dbraw/zinc/10/20/23/261102023.db2.gz FHWSOWSABWBFPY-CYBMUJFWSA-N 0 0 290.407 3.586 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000155520552 261103053 /nfs/dbraw/zinc/10/30/53/261103053.db2.gz OKKVUGZGYPZPMO-JKSUJKDBSA-N 0 0 272.392 3.651 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000103357601 261278784 /nfs/dbraw/zinc/27/87/84/261278784.db2.gz GOWCVSQWZIGVFG-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN C[C@H](SCC(=O)NC(C)(C)C)c1cc(F)ccc1F ZINC000105633341 261314027 /nfs/dbraw/zinc/31/40/27/261314027.db2.gz RSMSAVLGBUCOBJ-VIFPVBQESA-N 0 0 287.375 3.674 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)CCc1ccccc1 ZINC000176899839 261317521 /nfs/dbraw/zinc/31/75/21/261317521.db2.gz AWXACCKPOJIXSO-ZDUSSCGKSA-N 0 0 290.436 3.509 10 0 CHAERN CCOc1ccccc1CCC(=O)N1Cc2ccccc2C1 ZINC000105979421 261322208 /nfs/dbraw/zinc/32/22/08/261322208.db2.gz PUDSKPIPGHHYGQ-UHFFFAOYSA-N 0 0 295.382 3.560 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2ccccc2)o1 ZINC000163730290 261327140 /nfs/dbraw/zinc/32/71/40/261327140.db2.gz JOPJPLIXPVNSBY-OLZOCXBDSA-N 0 0 257.333 3.569 10 0 CHAERN CCC[C@@H]1C[C@@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302749462 261354736 /nfs/dbraw/zinc/35/47/36/261354736.db2.gz GPVHHLFTPYPZRH-RQJHMYQMSA-N 0 0 250.289 3.762 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164627953 261355824 /nfs/dbraw/zinc/35/58/24/261355824.db2.gz OLFVYKMATVEVGT-RHSMWYFYSA-N 0 0 298.434 3.662 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164628193 261356126 /nfs/dbraw/zinc/35/61/26/261356126.db2.gz OLFVYKMATVEVGT-PBHICJAKSA-N 0 0 298.434 3.662 10 0 CHAERN Cc1cnc(CN[C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181408460 261430276 /nfs/dbraw/zinc/43/02/76/261430276.db2.gz GOOIAGDWCPUFNN-CQSZACIVSA-N 0 0 288.391 3.869 10 0 CHAERN C/C(=C\C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000172122458 261493378 /nfs/dbraw/zinc/49/33/78/261493378.db2.gz AIDHKLGYPGCXTL-GWKQRERASA-N 0 0 295.386 3.567 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)NCc2cccnc2)c2ccccc21 ZINC000178938209 261762413 /nfs/dbraw/zinc/76/24/13/261762413.db2.gz HJMFQVJQSAJSCP-SUMWQHHRSA-N 0 0 295.386 3.519 10 0 CHAERN CCSCCS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000185587439 262060750 /nfs/dbraw/zinc/06/07/50/262060750.db2.gz SBAZJTZSCPPGTJ-STQMWFEESA-N 0 0 297.489 3.739 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cccc(C)c2C)C12CCOCC2 ZINC000186444249 262093615 /nfs/dbraw/zinc/09/36/15/262093615.db2.gz VYIBSSPLPGPYJB-DLBZAZTESA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(F)cc2C)C12CCOCC2 ZINC000186473321 262094751 /nfs/dbraw/zinc/09/47/51/262094751.db2.gz GYOJSUAADYMFBV-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186550942 262098388 /nfs/dbraw/zinc/09/83/88/262098388.db2.gz ZOFXKWQLPKXUGJ-GFCCVEGCSA-N 0 0 280.437 3.682 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000188420219 262295846 /nfs/dbraw/zinc/29/58/46/262295846.db2.gz SMBYGMLQPCBMIC-HOTGVXAUSA-N 0 0 293.451 3.765 10 0 CHAERN c1ccc2sc(CN3CCNc4ccccc43)nc2c1 ZINC000228456051 262338160 /nfs/dbraw/zinc/33/81/60/262338160.db2.gz BXHHUUGJDLUPPQ-UHFFFAOYSA-N 0 0 281.384 3.728 10 0 CHAERN COC(=O)c1ccc(N[C@@H](C)c2ccccc2C)nc1C ZINC000148620883 263035569 /nfs/dbraw/zinc/03/55/69/263035569.db2.gz NFLGEJQOFRBBHS-LBPRGKRZSA-N 0 0 284.359 3.658 10 0 CHAERN CC(C)[C@H](C)C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000171938835 335085843 /nfs/dbraw/zinc/08/58/43/335085843.db2.gz URZHKMIIECTDED-HOCLYGCPSA-N 0 0 289.419 3.657 10 0 CHAERN COc1ccc(Cl)cc1N[C@H](C)c1cncs1 ZINC000165518350 264386381 /nfs/dbraw/zinc/38/63/81/264386381.db2.gz PSSLAQXPOXNIGA-MRVPVSSYSA-N 0 0 268.769 3.978 10 0 CHAERN CCC(CC)c1cc(C(=O)Nc2cc(N)ccc2C)on1 ZINC000193442234 264649335 /nfs/dbraw/zinc/64/93/35/264649335.db2.gz JOQOFSVHMVLCOV-UHFFFAOYSA-N 0 0 287.363 3.721 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1Cl ZINC000022881125 265024293 /nfs/dbraw/zinc/02/42/93/265024293.db2.gz PLJYJYDPTJBBCD-GHMZBOCLSA-N 0 0 268.788 3.745 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000226027885 265075517 /nfs/dbraw/zinc/07/55/17/265075517.db2.gz WCUNFHUCVCPKHF-JTQLQIEISA-N 0 0 273.298 3.932 10 0 CHAERN Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044048 267120847 /nfs/dbraw/zinc/12/08/47/267120847.db2.gz FSEYPSYUWUGMIP-LLVKDONJSA-N 0 0 261.346 3.627 10 0 CHAERN O=C(c1cccc2c1CCC2)N1CCC[C@H]1c1ccco1 ZINC000116047309 267121176 /nfs/dbraw/zinc/12/11/76/267121176.db2.gz VQEIYOBOBIYATF-INIZCTEOSA-N 0 0 281.355 3.746 10 0 CHAERN CCOc1ccccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047002 267121275 /nfs/dbraw/zinc/12/12/75/267121275.db2.gz XWHWQOGLLOSYSB-AWEZNQCLSA-N 0 0 285.343 3.656 10 0 CHAERN c1coc([C@@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 ZINC000116287569 267136908 /nfs/dbraw/zinc/13/69/08/267136908.db2.gz PSIOZONGRQEXOK-KRWDZBQOSA-N 0 0 293.370 3.802 10 0 CHAERN CCC[C@H](CC)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116425385 267151920 /nfs/dbraw/zinc/15/19/20/267151920.db2.gz HWGMAGXHRCBYEA-STQMWFEESA-N 0 0 264.369 3.705 10 0 CHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116406247 267151923 /nfs/dbraw/zinc/15/19/23/267151923.db2.gz BTDWNBJQYSDWBC-OAHLLOKOSA-N 0 0 298.342 3.851 10 0 CHAERN CN(C)c1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116481963 267153960 /nfs/dbraw/zinc/15/39/60/267153960.db2.gz SWPQLEUDVOJCFV-OAHLLOKOSA-N 0 0 299.374 3.715 10 0 CHAERN O=C(CCN1CCC[C@@H]1c1nccs1)c1ccccc1 ZINC000368402650 267169669 /nfs/dbraw/zinc/16/96/69/267169669.db2.gz MSTPQRTYWSNFEO-CQSZACIVSA-N 0 0 286.400 3.553 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117567775 267216700 /nfs/dbraw/zinc/21/67/00/267216700.db2.gz QIAQLCDEQKBMHD-SUMWQHHRSA-N 0 0 281.355 3.807 10 0 CHAERN CC[C@H](C)N(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119142547 267303698 /nfs/dbraw/zinc/30/36/98/267303698.db2.gz APBAWMCWSXNXBL-NHYWBVRUSA-N 0 0 278.371 3.643 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119132408 267303712 /nfs/dbraw/zinc/30/37/12/267303712.db2.gz WTZWMPRJBJDTIH-INIZCTEOSA-N 0 0 290.382 3.645 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1C[C@H]2CCCCC[C@H]21 ZINC000371171039 267359419 /nfs/dbraw/zinc/35/94/19/267359419.db2.gz SHEHILFFPDFSIA-MLGOLLRUSA-N 0 0 268.360 3.573 10 0 CHAERN Cc1cc(OCCCCC(N)=S)cc(C)c1Cl ZINC000049583168 525368710 /nfs/dbraw/zinc/36/87/10/525368710.db2.gz UZDHYXNNSPKGOD-UHFFFAOYSA-N 0 0 271.813 3.792 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)CC2CCOCC2)cc1 ZINC000172165402 327762938 /nfs/dbraw/zinc/76/29/38/327762938.db2.gz MHLLNBVOZQFUJE-CQSZACIVSA-N 0 0 289.419 3.804 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ncc(Cl)cc1F ZINC000390709220 327884292 /nfs/dbraw/zinc/88/42/92/327884292.db2.gz VGOFXFPJRCCJSF-NSHDSACASA-N 0 0 294.757 3.891 10 0 CHAERN C[C@@H]1CCCN(c2nn3cc(C(C)(C)C)nc3s2)CC1 ZINC000301124613 533702304 /nfs/dbraw/zinc/70/23/04/533702304.db2.gz XXPUGGOPDZNPKU-LLVKDONJSA-N 0 0 292.452 3.715 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152047527 328007527 /nfs/dbraw/zinc/00/75/27/328007527.db2.gz CBFHSVPBOLJEED-CVEARBPZSA-N 0 0 295.467 3.508 10 0 CHAERN Cc1ccc(Br)c(NC(=O)C2CC(C)C2)c1 ZINC000534159757 328037412 /nfs/dbraw/zinc/03/74/12/328037412.db2.gz IWSCBRNFNFIPHN-UHFFFAOYSA-N 0 0 282.181 3.742 10 0 CHAERN CC(C)CCc1nc(CN2CCS[C@@H](C)C2)cs1 ZINC000170901297 329071844 /nfs/dbraw/zinc/07/18/44/329071844.db2.gz LAYUGJNOKHQPFM-LBPRGKRZSA-N 0 0 284.494 3.669 10 0 CHAERN CC[C@@H](C)[C@H](C)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000183597007 329250853 /nfs/dbraw/zinc/25/08/53/329250853.db2.gz ZPWCZQOHRATRHE-YPMHNXCESA-N 0 0 294.464 3.840 10 0 CHAERN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000048469184 328313761 /nfs/dbraw/zinc/31/37/61/328313761.db2.gz CZVBUDZMRLNXIZ-LLVKDONJSA-N 0 0 260.381 3.904 10 0 CHAERN COc1ccc(NC(=O)c2cc3ccccc3s2)cc1N ZINC000048856096 328323269 /nfs/dbraw/zinc/32/32/69/328323269.db2.gz KQZGJQXNDIDSMR-UHFFFAOYSA-N 0 0 298.367 3.744 10 0 CHAERN Cc1ccc(C)c(CN2CCCc3c(N)cccc32)c1 ZINC000049257381 328352838 /nfs/dbraw/zinc/35/28/38/328352838.db2.gz SHAOVPBSWMYHIH-UHFFFAOYSA-N 0 0 266.388 3.838 10 0 CHAERN CC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000049268647 328353223 /nfs/dbraw/zinc/35/32/23/328353223.db2.gz WSOJQFRSGRUGJJ-DTWKUNHWSA-N 0 0 272.751 3.638 10 0 CHAERN CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000109098873 326824267 /nfs/dbraw/zinc/82/42/67/326824267.db2.gz WMJBVMQZIPJVMX-ZIAGYGMSSA-N 0 0 287.309 3.731 10 0 CHAERN Cc1ccc(NCc2cc[nH]c2)c(Br)c1 ZINC000085578648 326973956 /nfs/dbraw/zinc/97/39/56/326973956.db2.gz NRJMHHVEWIKHAB-UHFFFAOYSA-N 0 0 265.154 3.698 10 0 CHAERN COc1cc2c(c(C)c1C)C(=O)[C@H](C1CCCC1)C2 ZINC000060133029 327018626 /nfs/dbraw/zinc/01/86/26/327018626.db2.gz PPAKRAKRBOSTRN-AWEZNQCLSA-N 0 0 258.361 3.857 10 0 CHAERN COc1ccc([C@@H](C)Nc2cccnc2C)cc1OC ZINC000091495889 327102786 /nfs/dbraw/zinc/10/27/86/327102786.db2.gz QJVCNBVURVSCLJ-LLVKDONJSA-N 0 0 272.348 3.580 10 0 CHAERN FC(F)(F)CCCCNc1nccc(C(F)(F)F)n1 ZINC000128955240 327154864 /nfs/dbraw/zinc/15/48/64/327154864.db2.gz XUUKBYFREPKCHC-UHFFFAOYSA-N 0 0 287.207 3.640 10 0 CHAERN Cc1cc2c(N[C@H]3CCCc4ccccc43)nccn2n1 ZINC000129377950 327155919 /nfs/dbraw/zinc/15/59/19/327155919.db2.gz PYWOOQJSHPCJBZ-HNNXBMFYSA-N 0 0 278.359 3.527 10 0 CHAERN CCCCOc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(C)c1 ZINC000150746763 327370244 /nfs/dbraw/zinc/37/02/44/327370244.db2.gz PQSJKQMLRMYFMM-XJKSGUPXSA-N 0 0 291.391 3.680 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(F)cc1F ZINC000151218493 327458801 /nfs/dbraw/zinc/45/88/01/327458801.db2.gz FCEYIQVSKYNVSB-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN CC(C)NC(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000074978608 327489496 /nfs/dbraw/zinc/48/94/96/327489496.db2.gz OLCGOIOXBAMBFL-UHFFFAOYSA-N 0 0 268.360 3.561 10 0 CHAERN CC(C)(C)[C@@H](O)COc1cc(C(F)(F)F)ccc1F ZINC000402283134 332812168 /nfs/dbraw/zinc/81/21/68/332812168.db2.gz PVUQVXAVNKZJNR-NSHDSACASA-N 0 0 280.261 3.630 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)CC2CCCC2)o1 ZINC000114317901 328643787 /nfs/dbraw/zinc/64/37/87/328643787.db2.gz PZXGHIYOYHQVJW-AAEUAGOBSA-N 0 0 263.381 3.982 10 0 CHAERN C[C@H](NC(=O)N1CCC(C)CC1)c1cccc(Cl)c1 ZINC000054064724 328685174 /nfs/dbraw/zinc/68/51/74/328685174.db2.gz FCHVTBPFQFHKGS-LBPRGKRZSA-N 0 0 280.799 3.843 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CCOC1 ZINC000102613920 328709223 /nfs/dbraw/zinc/70/92/23/328709223.db2.gz VQJQNILMGKKSHO-AWEZNQCLSA-N 0 0 295.810 3.505 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000103297531 328767439 /nfs/dbraw/zinc/76/74/39/328767439.db2.gz SYMDCUCKKWPVQD-NSHDSACASA-N 0 0 296.361 3.683 10 0 CHAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000103359851 328767845 /nfs/dbraw/zinc/76/78/45/328767845.db2.gz MWGNMTWFYLYTDT-GJZGRUSLSA-N 0 0 297.398 3.813 10 0 CHAERN COC[C@H](C)C(=O)N(C)c1ccccc1Oc1ccccc1 ZINC000103388496 328769848 /nfs/dbraw/zinc/76/98/48/328769848.db2.gz AWSYIPMZZXHDOT-AWEZNQCLSA-N 0 0 299.370 3.724 10 0 CHAERN COc1cccc([C@H](C)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116040453 328933709 /nfs/dbraw/zinc/93/37/09/328933709.db2.gz PWVPTZXCFMLHOY-BBRMVZONSA-N 0 0 299.370 3.755 10 0 CHAERN CCCSCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117720748 328942775 /nfs/dbraw/zinc/94/27/75/328942775.db2.gz WZECDPUSFFYTKI-UHFFFAOYSA-N 0 0 281.446 3.507 10 0 CHAERN CCCCCOCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117719915 328942813 /nfs/dbraw/zinc/94/28/13/328942813.db2.gz RKPLPPAQMGXXKJ-UHFFFAOYSA-N 0 0 293.432 3.571 10 0 CHAERN O=C(C1CCCC1)N1CC=C(c2cccs2)CC1 ZINC000117723967 328942858 /nfs/dbraw/zinc/94/28/58/328942858.db2.gz GLESYZQFNIWJQN-UHFFFAOYSA-N 0 0 261.390 3.554 10 0 CHAERN O=C(C[C@H]1C=CCC1)N1CC=C(c2cccs2)CC1 ZINC000117724358 328942879 /nfs/dbraw/zinc/94/28/79/328942879.db2.gz CDMCBIOVINFYHT-ZDUSSCGKSA-N 0 0 273.401 3.720 10 0 CHAERN CCc1oc(C(=O)N[C@H](C)c2ccc(C)o2)cc1C ZINC000123360240 329009022 /nfs/dbraw/zinc/00/90/22/329009022.db2.gz VQGUAXATYYMIGN-LLVKDONJSA-N 0 0 261.321 3.543 10 0 CHAERN C[C@@H](NCc1nc(-c2cccs2)no1)c1cccs1 ZINC000171111495 329074602 /nfs/dbraw/zinc/07/46/02/329074602.db2.gz SBGMYKYYCDNQMQ-SECBINFHSA-N 0 0 291.401 3.710 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614765 329074879 /nfs/dbraw/zinc/07/48/79/329074879.db2.gz GSIRIMDCTBYQHS-HNNXBMFYSA-N 0 0 288.435 3.689 10 0 CHAERN CC1(C[NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)CCCCCC1 ZINC000394586946 329127629 /nfs/dbraw/zinc/12/76/29/329127629.db2.gz GPAPQXNAJILUSN-KBPBESRZSA-N 0 0 267.413 3.580 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cccnc2C)o1 ZINC000172669328 329136373 /nfs/dbraw/zinc/13/63/73/329136373.db2.gz YHUMVGVOJJJJRC-MRXNPFEDSA-N 0 0 298.386 3.913 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(F)ccc2Cl)o1 ZINC000218974441 329138165 /nfs/dbraw/zinc/13/81/65/329138165.db2.gz QAFZARKPNMNJNJ-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Cc1cc(N[C@@H](C)COCc2ccccc2)nc(C2CC2)n1 ZINC000172781452 329138653 /nfs/dbraw/zinc/13/86/53/329138653.db2.gz WXAGBAGQTUIORP-AWEZNQCLSA-N 0 0 297.402 3.680 10 0 CHAERN C[C@@H](NC(=O)CC1CCC1)c1ccccc1Br ZINC000173090666 329140229 /nfs/dbraw/zinc/14/02/29/329140229.db2.gz BPRISOLUFMALJB-SNVBAGLBSA-N 0 0 296.208 3.817 10 0 CHAERN C[C@H](N[C@@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987974 329141755 /nfs/dbraw/zinc/14/17/55/329141755.db2.gz NDARXRVZBNSLGU-STQMWFEESA-N 0 0 294.358 3.543 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)CCC(C)C)C2)n1 ZINC000173428225 329146952 /nfs/dbraw/zinc/14/69/52/329146952.db2.gz VFFIHNQEMGXTOR-CYBMUJFWSA-N 0 0 280.437 3.594 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173439588 329146984 /nfs/dbraw/zinc/14/69/84/329146984.db2.gz QODGGYQTKJZHBY-QWHCGFSZSA-N 0 0 293.411 3.683 10 0 CHAERN O=C(C[C@H]1CCOc2ccccc21)N1CCC2(CCCC2)C1 ZINC000173762846 329148284 /nfs/dbraw/zinc/14/82/84/329148284.db2.gz NGZAIXGZFXKESR-OAHLLOKOSA-N 0 0 299.414 3.736 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CC3CCC3)C2)cc1 ZINC000173622860 329150043 /nfs/dbraw/zinc/15/00/43/329150043.db2.gz XUFFQEGQTZTDFF-CJNGLKHVSA-N 0 0 287.403 3.590 10 0 CHAERN C[C@H](Nc1nc2ccccc2cc1CO)c1cccc(O)c1 ZINC000174719195 329160962 /nfs/dbraw/zinc/16/09/62/329160962.db2.gz GNWQACLGFKENGA-LBPRGKRZSA-N 0 0 294.354 3.606 10 0 CHAERN C[C@@H]1CC[C@H](CCC(=O)N2CC=C(c3ccccc3)CC2)O1 ZINC000174975203 329162068 /nfs/dbraw/zinc/16/20/68/329162068.db2.gz KSJJCSUVKROACS-CRAIPNDOSA-N 0 0 299.414 3.650 10 0 CHAERN CO[C@@H](C)c1nc(CN2CCC[C@@H]2c2ccco2)cs1 ZINC000175238681 329166887 /nfs/dbraw/zinc/16/68/87/329166887.db2.gz YTRATNFJZMDEAF-WCQYABFASA-N 0 0 292.404 3.781 10 0 CHAERN CCCCC1CCC(NC(=O)c2ncncc2Cl)CC1 ZINC000175813971 329172036 /nfs/dbraw/zinc/17/20/36/329172036.db2.gz VPQXYJZMKBMIAA-UHFFFAOYSA-N 0 0 295.814 3.609 10 0 CHAERN CC(C)C1(CNC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000176029816 329173417 /nfs/dbraw/zinc/17/34/17/329173417.db2.gz QYJNVFCRODQDIX-ZDUSSCGKSA-N 0 0 276.380 3.562 10 0 CHAERN Cc1ccncc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180064368 329215207 /nfs/dbraw/zinc/21/52/07/329215207.db2.gz CMQMKQGZSLRMFD-WCQYABFASA-N 0 0 260.381 3.791 10 0 CHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000180367109 329215450 /nfs/dbraw/zinc/21/54/50/329215450.db2.gz JSYDNPSGEBBERO-HOCLYGCPSA-N 0 0 291.439 3.690 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180441250 329217134 /nfs/dbraw/zinc/21/71/34/329217134.db2.gz QKEMAQIENOXFJX-UONOGXRCSA-N 0 0 274.408 3.897 10 0 CHAERN Cc1cnccc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180303171 329219399 /nfs/dbraw/zinc/21/93/99/329219399.db2.gz KONMQTNQHXKCHI-YPMHNXCESA-N 0 0 260.381 3.791 10 0 CHAERN Cc1cccc(N(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000180602457 329220989 /nfs/dbraw/zinc/22/09/89/329220989.db2.gz LPGJDPPJNBNPCP-GXTWGEPZSA-N 0 0 274.408 3.815 10 0 CHAERN CC(=O)c1ccc(N[C@@H](C)c2ccc(F)c(F)c2)nc1 ZINC000180963389 329224386 /nfs/dbraw/zinc/22/43/86/329224386.db2.gz QFEQZZCMCVLBPN-VIFPVBQESA-N 0 0 276.286 3.736 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC1CCC1)[C@H](C)C2 ZINC000181247233 329227716 /nfs/dbraw/zinc/22/77/16/329227716.db2.gz RHLBWORAXBPUMT-SJKOYZFVSA-N 0 0 257.377 3.535 10 0 CHAERN COc1cccnc1N(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000181178840 329233035 /nfs/dbraw/zinc/23/30/35/329233035.db2.gz LOVKJWCFJGPORO-STQMWFEESA-N 0 0 290.407 3.515 10 0 CHAERN Cc1occc1C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182186645 329240593 /nfs/dbraw/zinc/24/05/93/329240593.db2.gz NJUGVBSVYJVCMG-BDJLRTHQSA-N 0 0 269.344 3.560 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000184069663 329255526 /nfs/dbraw/zinc/25/55/26/329255526.db2.gz WTDYEHVDLNQDIB-RWMBFGLXSA-N 0 0 293.411 3.539 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)Nc2ccncc2F)c2ccccc21 ZINC000184129116 329256640 /nfs/dbraw/zinc/25/66/40/329256640.db2.gz NGMRFBJZNKPBJG-ABAIWWIYSA-N 0 0 299.349 3.981 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000184745111 329261103 /nfs/dbraw/zinc/26/11/03/329261103.db2.gz SAWJPJALKLBOGJ-PKNBQFBNSA-N 0 0 285.347 3.668 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2ncc(Cl)cc2F)C1 ZINC000227079742 329268357 /nfs/dbraw/zinc/26/83/57/329268357.db2.gz PZMBRUXQENSSAU-UWVGGRQHSA-N 0 0 274.792 3.960 10 0 CHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC2(CC2)C1 ZINC000185383886 329271395 /nfs/dbraw/zinc/27/13/95/329271395.db2.gz AFTWLLMHRAKTFC-BQYQJAHWSA-N 0 0 292.382 3.651 10 0 CHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCC2(CC2)C1 ZINC000185410483 329273350 /nfs/dbraw/zinc/27/33/50/329273350.db2.gz BOYLYMXLCZLXLW-LSDHHAIUSA-N 0 0 261.409 3.605 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185714665 329330395 /nfs/dbraw/zinc/33/03/95/329330395.db2.gz ZCNRGLGAIVONLT-SOUVJXGZSA-N 0 0 287.403 3.697 10 0 CHAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000185942528 329333209 /nfs/dbraw/zinc/33/32/09/329333209.db2.gz SEROAOFFZZEICE-CVEARBPZSA-N 0 0 287.378 3.734 10 0 CHAERN Clc1cc(NCc2ncc(-c3ccccc3)cn2)ccn1 ZINC000186000039 329334980 /nfs/dbraw/zinc/33/49/80/329334980.db2.gz BBDHTOXNZKDAAK-UHFFFAOYSA-N 0 0 296.761 3.804 10 0 CHAERN CCn1c(C)nnc1CN1CCC[C@H](C)c2ccccc21 ZINC000185978677 329337871 /nfs/dbraw/zinc/33/78/71/329337871.db2.gz DSRGLXRDPNUSBB-ZDUSSCGKSA-N 0 0 284.407 3.510 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000186424544 329342037 /nfs/dbraw/zinc/34/20/37/329342037.db2.gz QHDOGROBQCMCGP-IOASZLSFSA-N 0 0 261.365 3.625 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cc(C)cc(F)c2)C12CCOCC2 ZINC000186478288 329342976 /nfs/dbraw/zinc/34/29/76/329342976.db2.gz PUNMLIHDTZHRSW-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN CCc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)o1 ZINC000186526440 329344806 /nfs/dbraw/zinc/34/48/06/329344806.db2.gz CJKCANLJGUAZKI-LLVKDONJSA-N 0 0 299.374 3.992 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1Cl ZINC000321360277 329348474 /nfs/dbraw/zinc/34/84/74/329348474.db2.gz CUGXUZRTZHGKDJ-SBMIAAHKSA-N 0 0 266.772 3.755 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000187764878 329360448 /nfs/dbraw/zinc/36/04/48/329360448.db2.gz SNXOXLWDQUHJIE-MRXNPFEDSA-N 0 0 297.402 3.543 10 0 CHAERN CSc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1Cl ZINC000188754135 329372991 /nfs/dbraw/zinc/37/29/91/329372991.db2.gz DSGROSLNOIXJLT-GXSJLCMTSA-N 0 0 299.823 3.816 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NCc1c(F)cccc1F ZINC000188953393 329376067 /nfs/dbraw/zinc/37/60/67/329376067.db2.gz RYRLAEZBVYRNPC-INIZCTEOSA-N 0 0 289.325 3.887 10 0 CHAERN Cc1ccsc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189939467 329390358 /nfs/dbraw/zinc/39/03/58/329390358.db2.gz QHSNYRDZTGSYIN-ZDUSSCGKSA-N 0 0 287.384 3.619 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000190222276 329393547 /nfs/dbraw/zinc/39/35/47/329393547.db2.gz QKUFXZNPKWKCTL-IIAWOOMASA-N 0 0 287.403 3.732 10 0 CHAERN CCC(C)(C)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000190684719 329400456 /nfs/dbraw/zinc/40/04/56/329400456.db2.gz FVHPXGIOYSHRAN-LBPRGKRZSA-N 0 0 264.369 3.562 10 0 CHAERN CCOC(=O)[C@H](C)c1nc(-c2ccc(C)s2)cs1 ZINC000310734336 329539405 /nfs/dbraw/zinc/53/94/05/329539405.db2.gz OLVYSMKRCKQWIK-SECBINFHSA-N 0 0 281.402 3.847 10 0 CHAERN CCn1c2ccccc2nc1[C@H](C)NCc1cccnc1C ZINC000123834481 329563531 /nfs/dbraw/zinc/56/35/31/329563531.db2.gz DYQALMUVMYUBHH-AWEZNQCLSA-N 0 0 294.402 3.610 10 0 CHAERN CCC[C@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)C(C)C ZINC000124722315 329573347 /nfs/dbraw/zinc/57/33/47/329573347.db2.gz JNXDAOGBIIPQHL-HOCLYGCPSA-N 0 0 293.407 3.560 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000124887123 329574904 /nfs/dbraw/zinc/57/49/04/329574904.db2.gz AROPHXAWKAEENV-HIFRSBDPSA-N 0 0 269.344 3.747 10 0 CHAERN CC[C@H](SC)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000124925297 329575433 /nfs/dbraw/zinc/57/54/33/329575433.db2.gz WLRQANSFQCQATD-CQDKDKBSSA-N 0 0 277.433 3.883 10 0 CHAERN Cc1cccc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)n1 ZINC000125203633 329579204 /nfs/dbraw/zinc/57/92/04/329579204.db2.gz DPGDSWUATLYOMQ-OAHLLOKOSA-N 0 0 299.349 3.728 10 0 CHAERN O=C(Nc1cccc(O)c1F)[C@H]1C[C@H]1C1CCCCC1 ZINC000129755897 329620062 /nfs/dbraw/zinc/62/00/62/329620062.db2.gz BNWSBXUEVILJPL-RYUDHWBXSA-N 0 0 277.339 3.686 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1O ZINC000195206654 329690980 /nfs/dbraw/zinc/69/09/80/329690980.db2.gz YECDATRTCBLMOZ-VXGBXAGGSA-N 0 0 291.391 3.802 10 0 CHAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)c1cccnc1 ZINC000246384422 329844766 /nfs/dbraw/zinc/84/47/66/329844766.db2.gz VBZKFVJBTRAZML-LBTNJELSSA-N 0 0 294.398 3.940 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000067793979 329851402 /nfs/dbraw/zinc/85/14/02/329851402.db2.gz YNZWYQULXOZINQ-HNAYVOBHSA-N 0 0 296.414 3.969 10 0 CHAERN CC(C)c1ccc([C@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000074144958 329863496 /nfs/dbraw/zinc/86/34/96/329863496.db2.gz AHKGYNQTJDGYAP-LBPRGKRZSA-N 0 0 285.391 3.921 10 0 CHAERN O=C(NCc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000074987415 329865953 /nfs/dbraw/zinc/86/59/53/329865953.db2.gz XOHZMFDDXJIUAY-UHFFFAOYSA-N 0 0 288.350 3.679 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000247100431 329876025 /nfs/dbraw/zinc/87/60/25/329876025.db2.gz VCXZMJOXUCJFJP-BBWFWOEESA-N 0 0 286.419 3.865 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000248614167 329895686 /nfs/dbraw/zinc/89/56/86/329895686.db2.gz WTDYEHVDLNQDIB-AVGNSLFASA-N 0 0 293.411 3.539 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC(C)(C)C1 ZINC000248907235 329902160 /nfs/dbraw/zinc/90/21/60/329902160.db2.gz UYVBPDMHARMRIG-SYAUCNOPSA-N 0 0 293.451 3.523 10 0 CHAERN CCC(C)(C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187657 329947484 /nfs/dbraw/zinc/94/74/84/329947484.db2.gz GFBJTMOLAKBJES-HIFRSBDPSA-N 0 0 289.419 3.836 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)CCc2ccoc2)c2ccccc21 ZINC000162615249 330087139 /nfs/dbraw/zinc/08/71/39/330087139.db2.gz RKNBDGJPTUBNHP-CXAGYDPISA-N 0 0 283.371 3.967 10 0 CHAERN CC(=O)c1ccccc1NC(=O)[C@@H]1CCCCC1(F)F ZINC000327762030 330254496 /nfs/dbraw/zinc/25/44/96/330254496.db2.gz ODKZSWNKOBTJCT-LBPRGKRZSA-N 0 0 281.302 3.653 10 0 CHAERN Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccsc1 ZINC000046907134 330358809 /nfs/dbraw/zinc/35/88/09/330358809.db2.gz WRHAOAJZURASRY-CYBMUJFWSA-N 0 0 288.416 3.659 10 0 CHAERN Cc1ccc(/C=C/CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000084750670 330362792 /nfs/dbraw/zinc/36/27/92/330362792.db2.gz VKWSKQTZTAANCM-WYIDIVSCSA-N 0 0 299.414 3.568 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C=C3CCC3)C2)cc1 ZINC000087316626 330372724 /nfs/dbraw/zinc/37/27/24/330372724.db2.gz JYPVHRPAJFYXLT-CZUORRHYSA-N 0 0 285.387 3.510 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCc2ccoc2)cc1F ZINC000119535853 330375494 /nfs/dbraw/zinc/37/54/94/330375494.db2.gz IFFLHZXFSGYTNG-LBPRGKRZSA-N 0 0 275.323 3.537 10 0 CHAERN CCC(=O)[C@@H]1CCCN(c2cccc(C(C)C)c2)C1=O ZINC000536949911 330382101 /nfs/dbraw/zinc/38/21/01/330382101.db2.gz DOXUMFCAZJQEPE-HNNXBMFYSA-N 0 0 273.376 3.532 10 0 CHAERN Cc1nn(-c2cccc(F)c2Cl)c(C)c1Cl ZINC000536950074 330382195 /nfs/dbraw/zinc/38/21/95/330382195.db2.gz KAWAJVMZNVWJCC-UHFFFAOYSA-N 0 0 259.111 3.935 10 0 CHAERN COc1ccc2c(c1)C(=O)CC1(CCC(F)(F)CC1)O2 ZINC000536955057 330382991 /nfs/dbraw/zinc/38/29/91/330382991.db2.gz ORAAEZVJOSAMRP-UHFFFAOYSA-N 0 0 282.286 3.609 10 0 CHAERN O=S1(=Nc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000536958088 330383698 /nfs/dbraw/zinc/38/36/98/330383698.db2.gz UREBGVVUNJWDAC-UHFFFAOYSA-N 0 0 263.284 3.599 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000089914774 330388852 /nfs/dbraw/zinc/38/88/52/330388852.db2.gz TWYWDMQJIKQXTH-CYBMUJFWSA-N 0 0 284.403 3.735 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1ncncc1Br ZINC000090780927 330395959 /nfs/dbraw/zinc/39/59/59/330395959.db2.gz CYSULYSUJVYGDI-JTQLQIEISA-N 0 0 292.180 3.721 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000121072500 330396010 /nfs/dbraw/zinc/39/60/10/330396010.db2.gz NPBCRYGSSIMZQU-KBPBESRZSA-N 0 0 279.449 3.717 10 0 CHAERN C[C@@H]1CCCC[C@H]1CNC(=O)c1cccc2c1CCCN2 ZINC000061412471 330437886 /nfs/dbraw/zinc/43/78/86/330437886.db2.gz HVJFGLVKOGOZLK-KGLIPLIRSA-N 0 0 286.419 3.601 10 0 CHAERN CCC[C@H](N[C@@H](C)c1ccc(C)c(F)c1)C(=O)OCC ZINC000149132704 330573871 /nfs/dbraw/zinc/57/38/71/330573871.db2.gz LIWGUBMCGCHTDJ-WFASDCNBSA-N 0 0 281.371 3.517 10 0 CHAERN COc1cccc(C)c1NCc1nc2ccccc2nc1C ZINC000194553969 330874480 /nfs/dbraw/zinc/87/44/80/330874480.db2.gz JCRMOYSPAPLYSO-UHFFFAOYSA-N 0 0 293.370 3.867 10 0 CHAERN Fc1cc(Cl)ccc1CN1CCNc2ccccc21 ZINC000162309199 330900893 /nfs/dbraw/zinc/90/08/93/330900893.db2.gz FYANGAJMWMRUSJ-UHFFFAOYSA-N 0 0 276.742 3.911 10 0 CHAERN Cc1nc(-c2cccc(N[C@H]3CCOC[C@H]3C)c2)cs1 ZINC000194969013 331084494 /nfs/dbraw/zinc/08/44/94/331084494.db2.gz WVEGLPGIJDOFLH-ABAIWWIYSA-N 0 0 288.416 3.955 10 0 CHAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1cncs1 ZINC000165616406 331306260 /nfs/dbraw/zinc/30/62/60/331306260.db2.gz IKTCYEWLGXLUIU-LLVKDONJSA-N 0 0 270.361 3.502 10 0 CHAERN Clc1scnc1-c1noc(CCc2cccs2)n1 ZINC000463182642 331341676 /nfs/dbraw/zinc/34/16/76/331341676.db2.gz UJLZLJPCKAIBLE-UHFFFAOYSA-N 0 0 297.792 3.693 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1Br ZINC000230041659 333312417 /nfs/dbraw/zinc/31/24/17/333312417.db2.gz ZMPDTTNXDGTOCL-UWVGGRQHSA-N 0 0 282.181 3.824 10 0 CHAERN CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172118140 335095574 /nfs/dbraw/zinc/09/55/74/335095574.db2.gz PZNXAZUSUMJSPU-YNEHKIRRSA-N 0 0 264.369 3.561 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000174931618 333010994 /nfs/dbraw/zinc/01/09/94/333010994.db2.gz REGOORKIPBQXPR-WPRPVWTQSA-N 0 0 272.270 3.544 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2Cc3ccccc3C[C@@H]2C)o1 ZINC000175342598 333022247 /nfs/dbraw/zinc/02/22/47/333022247.db2.gz PWSLYNPPKIRTQQ-GXTWGEPZSA-N 0 0 298.386 3.805 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000178048448 333067153 /nfs/dbraw/zinc/06/71/53/333067153.db2.gz OBQZVJMOKAKIJH-GXTWGEPZSA-N 0 0 275.392 3.697 10 0 CHAERN COCCOc1cc(C)ccc1N[C@H]1CCC1(C)C ZINC000311820847 333072773 /nfs/dbraw/zinc/07/27/73/333072773.db2.gz IESCGWIHUNNQRL-HNNXBMFYSA-N 0 0 263.381 3.621 10 0 CHAERN CC[C@@H](C)OCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000178962243 333078632 /nfs/dbraw/zinc/07/86/32/333078632.db2.gz RNIIOTWRPCNZFD-ZIAGYGMSSA-N 0 0 277.408 3.802 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1F ZINC000088233950 333087263 /nfs/dbraw/zinc/08/72/63/333087263.db2.gz RNZMNHCGKQPNBR-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN COc1cccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000088234562 333087365 /nfs/dbraw/zinc/08/73/65/333087365.db2.gz SRGYZVHZOQUANZ-LBPRGKRZSA-N 0 0 287.334 3.634 10 0 CHAERN CCc1nc([C@H](C)N[C@@H](C)c2cncc(C)c2)cs1 ZINC000184353614 333127396 /nfs/dbraw/zinc/12/73/96/333127396.db2.gz UPPHAMAZBJMCII-RYUDHWBXSA-N 0 0 275.421 3.821 10 0 CHAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184664722 333131256 /nfs/dbraw/zinc/13/12/56/333131256.db2.gz XWEMDLFMIALBQA-SDDRHHMPSA-N 0 0 279.346 3.906 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cccc(C)c2F)C12CCOCC2 ZINC000186472347 333161591 /nfs/dbraw/zinc/16/15/91/333161591.db2.gz IDTZXHNDIVSFTR-CABCVRRESA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cccc(C)c2F)C12CCOCC2 ZINC000186472300 333161669 /nfs/dbraw/zinc/16/16/69/333161669.db2.gz IDTZXHNDIVSFTR-LSDHHAIUSA-N 0 0 293.382 3.520 10 0 CHAERN CCn1ccnc1CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000187131877 333168267 /nfs/dbraw/zinc/16/82/67/333168267.db2.gz XDUIERDHBGMMNC-UHFFFAOYSA-N 0 0 298.415 3.894 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)N(CC1CCC1)c1ccccc1 ZINC000189126687 333181603 /nfs/dbraw/zinc/18/16/03/333181603.db2.gz OQFQNHPWTCUBDG-RHSMWYFYSA-N 0 0 287.403 3.635 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]34)[C@H]1CCC2=O ZINC000263636123 333186884 /nfs/dbraw/zinc/18/68/84/333186884.db2.gz CRDKSBHJIGNEOH-SRAKYTAESA-N 0 0 274.404 3.777 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189235157 333187226 /nfs/dbraw/zinc/18/72/26/333187226.db2.gz OYCYYXHCPKBSLV-GXFFZTMASA-N 0 0 299.336 3.799 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000190266640 333204993 /nfs/dbraw/zinc/20/49/93/333204993.db2.gz FJCAPGTXXAKCSH-SCZZXKLOSA-N 0 0 288.174 3.747 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190286400 333205333 /nfs/dbraw/zinc/20/53/33/333205333.db2.gz DOGHTFXMVRCNAO-IUODEOHRSA-N 0 0 275.392 3.738 10 0 CHAERN CC(C)n1ccnc1CN1CCC=Cc2ccccc21 ZINC000191289363 333217659 /nfs/dbraw/zinc/21/76/59/333217659.db2.gz DJXRYWAWQXBITN-UHFFFAOYSA-N 0 0 267.376 3.888 10 0 CHAERN CC(C)(C)OC(=O)n1ncc2c1nc(Cl)cc2Cl ZINC000521400626 333250019 /nfs/dbraw/zinc/25/00/19/333250019.db2.gz BRGIRZBUNBPDTP-UHFFFAOYSA-N 0 0 288.134 3.521 10 0 CHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644687 333254600 /nfs/dbraw/zinc/25/46/00/333254600.db2.gz UWJNDUIGBDFVGQ-UONOGXRCSA-N 0 0 286.375 3.574 10 0 CHAERN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc2ccccc2c1 ZINC000193852293 333259429 /nfs/dbraw/zinc/25/94/29/333259429.db2.gz SSHHYPWPYLCNII-GLJUWKHASA-N 0 0 297.398 3.690 10 0 CHAERN COc1cccc([C@@H](C)C(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000194393419 333270644 /nfs/dbraw/zinc/27/06/44/333270644.db2.gz UONMFHGBHYXHEY-CHWSQXEVSA-N 0 0 287.359 3.578 10 0 CHAERN CCCC(CCC)SCc1nnc(CC)n1C ZINC000194700307 333275783 /nfs/dbraw/zinc/27/57/83/333275783.db2.gz LDMAEDBATOVZEJ-UHFFFAOYSA-N 0 0 255.431 3.580 10 0 CHAERN CC(C)(CC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000194889985 333278670 /nfs/dbraw/zinc/27/86/70/333278670.db2.gz RSHBQYZRDIOZEI-INIZCTEOSA-N 0 0 295.382 3.604 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1Br ZINC000230054962 333312446 /nfs/dbraw/zinc/31/24/46/333312446.db2.gz OQZWKXJJFVTPCJ-ZYHUDNBSSA-N 0 0 296.208 3.502 10 0 CHAERN CS[C@@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123323896 333455901 /nfs/dbraw/zinc/45/59/01/333455901.db2.gz BLCPOSMVGFNSJI-SMDDNHRTSA-N 0 0 277.433 3.568 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2cccc(-c3nncn3C)c2)[C@@H]1C ZINC000068623606 333714383 /nfs/dbraw/zinc/71/43/83/333714383.db2.gz PRMJAZXUABKVLJ-XJKCOSOUSA-N 0 0 284.407 3.719 10 0 CHAERN CCc1ccc(-c2noc([C@@H]3CC[C@@H](C)O3)n2)cc1 ZINC000129405290 333762057 /nfs/dbraw/zinc/76/20/57/333762057.db2.gz XRMSYWLIVIBDDG-MFKMUULPSA-N 0 0 258.321 3.539 10 0 CHAERN Cc1ccc(C[S@](=O)Cc2nccn2C(C)C)cc1C ZINC000129686815 333788040 /nfs/dbraw/zinc/78/80/40/333788040.db2.gz DYYAHTDBKMBECY-HXUWFJFHSA-N 0 0 290.432 3.530 10 0 CHAERN Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C)C(C)C)c2c1 ZINC000072847554 333963455 /nfs/dbraw/zinc/96/34/55/333963455.db2.gz RKEPFOUPPAGZOC-ZDUSSCGKSA-N 0 0 272.392 3.570 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000073434246 333972552 /nfs/dbraw/zinc/97/25/52/333972552.db2.gz PUWZZCGSBSSCKV-QWHCGFSZSA-N 0 0 285.309 3.846 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000133872794 334066663 /nfs/dbraw/zinc/06/66/63/334066663.db2.gz PVYOPUVYEMFKAS-ZUZCIYMTSA-N 0 0 286.762 3.540 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)N[C@H]1C[C@H]1C ZINC000135416813 334129262 /nfs/dbraw/zinc/12/92/62/334129262.db2.gz FFZNWRUZTSGMRF-PWSUYJOCSA-N 0 0 264.394 3.717 10 0 CHAERN Cc1cc(F)ccc1CN1CCCc2c(N)cccc21 ZINC000136061079 334145766 /nfs/dbraw/zinc/14/57/66/334145766.db2.gz WKTNCWPLCGKQJY-UHFFFAOYSA-N 0 0 270.351 3.669 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000080431715 334171441 /nfs/dbraw/zinc/17/14/41/334171441.db2.gz CYMATNZXYNCJKL-HIFRSBDPSA-N 0 0 272.392 3.804 10 0 CHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245452988 334194178 /nfs/dbraw/zinc/19/41/78/334194178.db2.gz FDJCCVIHNBSZBH-KVSVUVNWSA-N 0 0 289.341 3.660 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](CC2CCC2)c2ccccc2)O1 ZINC000245535046 334201357 /nfs/dbraw/zinc/20/13/57/334201357.db2.gz FCUPUHJCVRXFID-KBRIMQKVSA-N 0 0 287.403 3.602 10 0 CHAERN C[C@@H](C(=O)N1[C@H](C)COC[C@@H]1C)c1ccc2ccccc2c1 ZINC000245856380 334221897 /nfs/dbraw/zinc/22/18/97/334221897.db2.gz AGXQLRUSIQZDRC-QLFBSQMISA-N 0 0 297.398 3.579 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000246189195 334239382 /nfs/dbraw/zinc/23/93/82/334239382.db2.gz MIKOMXNOCLYXQT-MCIONIFRSA-N 0 0 278.396 3.807 10 0 CHAERN CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000249391021 334333129 /nfs/dbraw/zinc/33/31/29/334333129.db2.gz FZHIVXDDTBCDHR-HRCADAONSA-N 0 0 281.440 3.619 10 0 CHAERN C[C@H](N[C@@H](Cc1ccccc1)C(F)(F)F)C1CCC1 ZINC000090456421 334361473 /nfs/dbraw/zinc/36/14/73/334361473.db2.gz BRYYLHKJCOECJO-FZMZJTMJSA-N 0 0 271.326 3.938 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)NCC2(C3CC3)CCC2)o1 ZINC000152972563 334533628 /nfs/dbraw/zinc/53/36/28/334533628.db2.gz NSXPEPFDOQONSD-GFCCVEGCSA-N 0 0 276.380 3.529 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000153161784 334565018 /nfs/dbraw/zinc/56/50/18/334565018.db2.gz UHMVGJNGPCMHOS-AWEZNQCLSA-N 0 0 273.307 3.535 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccsc1 ZINC000153322147 334587971 /nfs/dbraw/zinc/58/79/71/334587971.db2.gz BEATYIBAOCRMPE-CQSZACIVSA-N 0 0 275.348 3.695 10 0 CHAERN CC(C)(C)CCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000154622281 334699846 /nfs/dbraw/zinc/69/98/46/334699846.db2.gz ZLCFVICWNZGOMO-ZDUSSCGKSA-N 0 0 278.396 3.952 10 0 CHAERN CCn1c(C)nnc1CN1c2ccccc2CC[C@H]1C(C)C ZINC000181498399 335764711 /nfs/dbraw/zinc/76/47/11/335764711.db2.gz OYNLBWMWFXZCLH-INIZCTEOSA-N 0 0 298.434 3.584 10 0 CHAERN Cc1ccnn1-c1ccccc1N[C@H](C)c1cncc(F)c1 ZINC000184467458 335926735 /nfs/dbraw/zinc/92/67/35/335926735.db2.gz NOHXNAIQYTXQTP-CYBMUJFWSA-N 0 0 296.349 3.888 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000380325175 335971123 /nfs/dbraw/zinc/97/11/23/335971123.db2.gz AICOAZCJOBFDPC-NJZAAPMLSA-N 0 0 269.348 3.646 10 0 CHAERN CCCC1CCN(CC(=O)c2ccc(C)cc2)CC1 ZINC000050894168 519900821 /nfs/dbraw/zinc/90/08/21/519900821.db2.gz UWEIKCGNAOPFNR-UHFFFAOYSA-N 0 0 259.393 3.690 10 0 CHAERN CC[C@@H](C)CN(C)c1ccc([C@@H](C)O)cc1Cl ZINC000061695288 521975420 /nfs/dbraw/zinc/97/54/20/521975420.db2.gz XZNLGMUPSISIDJ-GHMZBOCLSA-N 0 0 255.789 3.876 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1cccc(O)c1 ZINC000192964513 533736191 /nfs/dbraw/zinc/73/61/91/533736191.db2.gz VTOFUDOLEGYMLQ-ZLIFDBKOSA-N 0 0 287.403 3.786 10 0 CHAERN CCc1nc(N(C)c2ccc(CC)cc2)sc1C=O ZINC000054967684 522380656 /nfs/dbraw/zinc/38/06/56/522380656.db2.gz IBASPNCRNMCYRG-UHFFFAOYSA-N 0 0 274.389 3.848 10 0 CHAERN C[C@@H](Cc1cccc(F)c1)Nc1ccnc(C2CC2)n1 ZINC000301289621 534242620 /nfs/dbraw/zinc/24/26/20/534242620.db2.gz OGPMYLKMJZFKLQ-NSHDSACASA-N 0 0 271.339 3.536 10 0 CHAERN CC(=O)c1cnc(-c2ccc3ccccc3n2)s1 ZINC000063076467 518480015 /nfs/dbraw/zinc/48/00/15/518480015.db2.gz LMGHOBSDJLUBIZ-UHFFFAOYSA-N 0 0 254.314 3.561 10 0 CHAERN CC(=O)c1cnc(-c2ccc3ncccc3c2)s1 ZINC000062802503 518480546 /nfs/dbraw/zinc/48/05/46/518480546.db2.gz KTVFIYMJINIWOA-UHFFFAOYSA-N 0 0 254.314 3.561 10 0 CHAERN CC(=O)c1cnc(C2(c3ccccc3)CCC2)s1 ZINC000062781970 518480778 /nfs/dbraw/zinc/48/07/78/518480778.db2.gz FJTHEVRLEFIGID-UHFFFAOYSA-N 0 0 257.358 3.816 10 0 CHAERN CC(C)(C)SCC(=O)Oc1ccccc1OC(F)F ZINC000105983673 518904633 /nfs/dbraw/zinc/90/46/33/518904633.db2.gz XVBDEACBHNPKEM-UHFFFAOYSA-N 0 0 290.331 3.725 10 0 CHAERN CC(C)(C)c1ccc([C@H](O)Cc2cccnc2)cc1 ZINC000053330771 519050152 /nfs/dbraw/zinc/05/01/52/519050152.db2.gz ROMLYHFDZDWNLF-MRXNPFEDSA-N 0 0 255.361 3.655 10 0 CHAERN CC(=O)Cc1ccc(-c2cccc3cccnc32)o1 ZINC000062769917 519438350 /nfs/dbraw/zinc/43/83/50/519438350.db2.gz GKGCQQCCFPZTAT-UHFFFAOYSA-N 0 0 251.285 3.626 10 0 CHAERN CC(C)C[C@@H](C)OCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000151867297 519773482 /nfs/dbraw/zinc/77/34/82/519773482.db2.gz QAIYZPWJURHZNH-HUUCEWRRSA-N 0 0 293.407 3.784 10 0 CHAERN CC(C)Oc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085631158 519781262 /nfs/dbraw/zinc/78/12/62/519781262.db2.gz GGWZCILIQWOHEC-XHSDSOJGSA-N 0 0 275.392 3.699 10 0 CHAERN CC(C)[C@@H]1CCC(=O)[C@@H](CCOCC(F)(F)F)C1 ZINC000054630127 519801782 /nfs/dbraw/zinc/80/17/82/519801782.db2.gz DCTUXSDGICSMQM-MNOVXSKESA-N 0 0 266.303 3.597 10 0 CHAERN CC(C)[C@@H]1CC[C@H](O)[C@H](O[C@H]2CCC[C@@H](C)C2)C1 ZINC000054558735 519803524 /nfs/dbraw/zinc/80/35/24/519803524.db2.gz HEBJESGLCPOOAG-RBGFHDKUSA-N 0 0 254.414 3.767 10 0 CHAERN CC(C)c1cc(-c2nc(C3CCCCC3)no2)n[nH]1 ZINC000109526596 519830988 /nfs/dbraw/zinc/83/09/88/519830988.db2.gz LQRMIOJYUIQLPZ-UHFFFAOYSA-N 0 0 260.341 3.631 10 0 CHAERN CC(C)c1cc(N)nc(-c2ccc(Br)s2)n1 ZINC000050867003 519833042 /nfs/dbraw/zinc/83/30/42/519833042.db2.gz YWXBXADWIVRNBS-UHFFFAOYSA-N 0 0 298.209 3.673 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccccn2)cc1 ZINC000126828633 519840329 /nfs/dbraw/zinc/84/03/29/519840329.db2.gz ATHVOZJQOIJDFQ-MSOLQXFVSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1nc(N)sc1Cc1ccccc1F ZINC000050266415 519865761 /nfs/dbraw/zinc/86/57/61/519865761.db2.gz QSZBEUZAIWWBFI-UHFFFAOYSA-N 0 0 250.342 3.579 10 0 CHAERN CC(C)c1noc(N[C@@H](C)c2csc(C(C)C)n2)n1 ZINC000301567570 519906257 /nfs/dbraw/zinc/90/62/57/519906257.db2.gz LAVFWPNXNYXLFO-VIFPVBQESA-N 0 0 280.397 3.946 10 0 CHAERN CCCNc1ccc(Cl)c(COC(C)(C)C)n1 ZINC000061640363 520163924 /nfs/dbraw/zinc/16/39/24/520163924.db2.gz GWAKNAJYXZVJPB-UHFFFAOYSA-N 0 0 256.777 3.872 10 0 CHAERN CCCNc1ccnc(-c2cc(Br)cs2)n1 ZINC000050865716 520183000 /nfs/dbraw/zinc/18/30/00/520183000.db2.gz GESJRPJWCPCYAE-UHFFFAOYSA-N 0 0 298.209 3.790 10 0 CHAERN CCCNc1ccnc(-c2ccc(Br)s2)n1 ZINC000050865747 520183395 /nfs/dbraw/zinc/18/33/95/520183395.db2.gz NYLLVBKINBTQOW-UHFFFAOYSA-N 0 0 298.209 3.790 10 0 CHAERN CCCNc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000058659991 520186595 /nfs/dbraw/zinc/18/65/95/520186595.db2.gz KVMMWJVRUHMTQP-UHFFFAOYSA-N 0 0 290.388 3.793 10 0 CHAERN CCNc1ccc(C)cc1C(=O)N(C)C(CC)CC ZINC000053001438 520297893 /nfs/dbraw/zinc/29/78/93/520297893.db2.gz FVTZDTMRHCVTGK-UHFFFAOYSA-N 0 0 262.397 3.687 10 0 CHAERN CC1(C)CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000112685416 520326304 /nfs/dbraw/zinc/32/63/04/520326304.db2.gz DRGFWCPBOIJYEA-OLZOCXBDSA-N 0 0 293.357 3.717 10 0 CHAERN CCCCCn1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852307 520332305 /nfs/dbraw/zinc/33/23/05/520332305.db2.gz BNJUNBDBODSLMU-UHFFFAOYSA-N 0 0 271.286 3.828 10 0 CHAERN CC1(C)CCCN1C(=O)c1ccc2ccccc2c1 ZINC000102919792 520333476 /nfs/dbraw/zinc/33/34/76/520333476.db2.gz AYQIHGVSMIEIKZ-UHFFFAOYSA-N 0 0 253.345 3.854 10 0 CHAERN CCNc1nc(-c2ccccc2Cl)nc(C)c1C ZINC000050864265 520351988 /nfs/dbraw/zinc/35/19/88/520351988.db2.gz AHNSHWVFJRDLSF-UHFFFAOYSA-N 0 0 261.756 3.846 10 0 CHAERN CCNc1snnc1CSc1ccc(F)cc1F ZINC000050837866 520388769 /nfs/dbraw/zinc/38/87/69/520388769.db2.gz NRKKUTLCMQVMKM-UHFFFAOYSA-N 0 0 287.360 3.540 10 0 CHAERN CC1(C)CCc2ccccc2[C@@H]1NCc1cscn1 ZINC000130157556 520414033 /nfs/dbraw/zinc/41/40/33/520414033.db2.gz MIAFYDNSGCOYIN-HNNXBMFYSA-N 0 0 272.417 3.946 10 0 CHAERN CCCOc1cccc([C@@H](O)c2sccc2C)c1 ZINC000061668261 520465101 /nfs/dbraw/zinc/46/51/01/520465101.db2.gz PHAQLYMQGIOCPE-CQSZACIVSA-N 0 0 262.374 3.927 10 0 CHAERN CCN(CC)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000098033955 520512424 /nfs/dbraw/zinc/51/24/24/520512424.db2.gz MGAAAUSILDVYJP-SECBINFHSA-N 0 0 272.751 3.592 10 0 CHAERN CCCCN(Cc1nnc(C)o1)Cc1ccccc1Cl ZINC000102656672 520548910 /nfs/dbraw/zinc/54/89/10/520548910.db2.gz CMQNSBLZXGJJBU-UHFFFAOYSA-N 0 0 293.798 3.834 10 0 CHAERN CCOc1ccc(-c2cc(NCC(C)C)n[nH]2)cc1 ZINC000062669389 520807065 /nfs/dbraw/zinc/80/70/65/520807065.db2.gz DCWCCBLQYJZCCC-UHFFFAOYSA-N 0 0 259.353 3.543 10 0 CHAERN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](CCC)C(C)C)C1 ZINC000062751510 520829285 /nfs/dbraw/zinc/82/92/85/520829285.db2.gz BIJQQAKDNCCHNQ-QLFBSQMISA-N 0 0 269.429 3.776 10 0 CHAERN CCC[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000115366740 520995470 /nfs/dbraw/zinc/99/54/70/520995470.db2.gz YVOISLMQNLVCGV-RYUDHWBXSA-N 0 0 266.410 3.633 10 0 CHAERN CCC(=CC(=O)N1CCCC[C@@H]1c1nccs1)CC ZINC000128440837 521061144 /nfs/dbraw/zinc/06/11/44/521061144.db2.gz YBIHTDWINXCDEO-CYBMUJFWSA-N 0 0 278.421 3.943 10 0 CHAERN CCC[C@H](CC)NC(=O)c1ccc(NCC)c(C)c1 ZINC000063057303 521081289 /nfs/dbraw/zinc/08/12/89/521081289.db2.gz FOOHDYXYQWHUOK-AWEZNQCLSA-N 0 0 262.397 3.735 10 0 CHAERN CCOc1ccc([C@@](C)(O)c2ccccc2Cl)cc1 ZINC000055191162 521250014 /nfs/dbraw/zinc/25/00/14/521250014.db2.gz LSIWBIONWXMDFG-MRXNPFEDSA-N 0 0 276.763 3.995 10 0 CHAERN CCCCc1nn(C)c(N)c1-c1ccc(F)cc1Cl ZINC000062609714 521313653 /nfs/dbraw/zinc/31/36/53/521313653.db2.gz QPWVTNDSJXPCQZ-UHFFFAOYSA-N 0 0 281.762 3.804 10 0 CHAERN CCN(Cc1ccc(N)c(F)c1)c1ccc(C)cc1 ZINC000063011557 521323277 /nfs/dbraw/zinc/32/32/77/521323277.db2.gz QYMJGOPUBZOVMH-UHFFFAOYSA-N 0 0 258.340 3.743 10 0 CHAERN CCOc1cccc(C=O)c1OCCC(C)(C)C ZINC000049254779 521327737 /nfs/dbraw/zinc/32/77/37/521327737.db2.gz SBIMJIYMEWXTJI-UHFFFAOYSA-N 0 0 250.338 3.713 10 0 CHAERN CCOc1cccc([C@H](O)c2cc(F)ccc2C)c1 ZINC000055200839 521422322 /nfs/dbraw/zinc/42/23/22/521422322.db2.gz ITTVQLZJRKZDRR-INIZCTEOSA-N 0 0 260.308 3.615 10 0 CHAERN CCN(c1ccc(Cl)cc1C(N)=S)C1CCCC1 ZINC000052858291 521488989 /nfs/dbraw/zinc/48/89/89/521488989.db2.gz NPNXUIKGXFDBEF-UHFFFAOYSA-N 0 0 282.840 3.743 10 0 CHAERN CCOc1ccccc1[C@H](O)c1ccc(F)c(C)c1 ZINC000055240245 521590044 /nfs/dbraw/zinc/59/00/44/521590044.db2.gz ZVUATUDYEHVNJT-MRXNPFEDSA-N 0 0 260.308 3.615 10 0 CHAERN CCOc1nc(Cl)nc(S[C@@H]2CCC[C@H](C)C2)n1 ZINC000061517654 521605434 /nfs/dbraw/zinc/60/54/34/521605434.db2.gz YZJZHKQLADWZGA-DTWKUNHWSA-N 0 0 287.816 3.595 10 0 CHAERN CC[C@@H](C)Oc1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000048264658 522263820 /nfs/dbraw/zinc/26/38/20/522263820.db2.gz CUCJEDSSOWTZKZ-SSDOTTSWSA-N 0 0 277.311 3.517 10 0 CHAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000156941971 522516816 /nfs/dbraw/zinc/51/68/16/522516816.db2.gz TWWXZALLKOKUHN-RDBSUJKOSA-N 0 0 292.448 3.927 10 0 CHAERN CNc1c2c(F)ccc(F)c2nc(C)c1C(C)C ZINC000061687738 522546944 /nfs/dbraw/zinc/54/69/44/522546944.db2.gz QRQRVNKSHDUTNN-UHFFFAOYSA-N 0 0 250.292 3.987 10 0 CHAERN CNc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000050864463 522565834 /nfs/dbraw/zinc/56/58/34/522565834.db2.gz PUDAYWXLPDMAEY-UHFFFAOYSA-N 0 0 267.254 3.513 10 0 CHAERN CNc1cc(COc2ccc(Cl)c(C)c2)ccn1 ZINC000052734019 522567336 /nfs/dbraw/zinc/56/73/36/522567336.db2.gz OTQYOYIIUGJGSP-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1ccc(C)cc1C(=O)Nc1cccc(C)c1 ZINC000053000014 522607535 /nfs/dbraw/zinc/60/75/35/522607535.db2.gz HBZINNGFSLRKES-UHFFFAOYSA-N 0 0 254.333 3.597 10 0 CHAERN CNc1ccc(COc2ccc(Cl)c(C)c2)cn1 ZINC000050830154 522612453 /nfs/dbraw/zinc/61/24/53/522612453.db2.gz OCPYGUYJEJPYOT-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1ccc(Cl)c(CO[C@H]2CCC[C@H](C)C2)n1 ZINC000061640388 522624087 /nfs/dbraw/zinc/62/40/87/522624087.db2.gz UWKYRYAQOVOJDQ-QWRGUYRKSA-N 0 0 268.788 3.872 10 0 CHAERN CC[C@H](O)c1ccc(-c2cc(F)c(F)cc2F)o1 ZINC000061094961 522828905 /nfs/dbraw/zinc/82/89/05/522828905.db2.gz ACSYKUDDYICGED-NSHDSACASA-N 0 0 256.223 3.807 10 0 CHAERN CC[C@H](OC)c1noc(-c2cc3ccccc3cc2O)n1 ZINC000157365760 522843984 /nfs/dbraw/zinc/84/39/84/522843984.db2.gz ODTMEVDWPPQOTO-AWEZNQCLSA-N 0 0 284.315 3.693 10 0 CHAERN CCc1noc([C@H](C)N[C@@H](C)c2ccc(CC)cc2)n1 ZINC000119805862 522915781 /nfs/dbraw/zinc/91/57/81/522915781.db2.gz JCIYGDNKVBIBDM-RYUDHWBXSA-N 0 0 273.380 3.606 10 0 CHAERN COc1cc2[nH]c(C)c(C(C)C)c(=O)c2cc1Cl ZINC000064540332 522988804 /nfs/dbraw/zinc/98/88/04/522988804.db2.gz VYFIVXSUXOULMX-UHFFFAOYSA-N 0 0 265.740 3.622 10 0 CHAERN COc1ccc(-c2nc(Cl)c3c(n2)CCCC3)cc1 ZINC000048771048 523216434 /nfs/dbraw/zinc/21/64/34/523216434.db2.gz OOZCGCBUGZRSPF-UHFFFAOYSA-N 0 0 274.751 3.684 10 0 CHAERN COc1ccc(C(=O)[C@H]2CCC[C@@H](C)C2)cc1F ZINC000055262665 523780027 /nfs/dbraw/zinc/78/00/27/523780027.db2.gz WDTCTUMOGOETQQ-MNOVXSKESA-N 0 0 250.313 3.843 10 0 CHAERN CCc1cc(Cl)nc(Cc2ccc(C)c(C)c2)n1 ZINC000061681395 523788478 /nfs/dbraw/zinc/78/84/78/523788478.db2.gz OPJZZDXBVJEKLF-UHFFFAOYSA-N 0 0 260.768 3.900 10 0 CHAERN CC[C@H](C)N(C)c1nc(-c2ccccc2)c(C=O)s1 ZINC000054967013 523924767 /nfs/dbraw/zinc/92/47/67/523924767.db2.gz NYOSXPPRLTUJHD-NSHDSACASA-N 0 0 274.389 3.857 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccccn2)o1 ZINC000128314798 524035289 /nfs/dbraw/zinc/03/52/89/524035289.db2.gz RFTROKXDWOJWEI-HNNXBMFYSA-N 0 0 284.359 3.604 10 0 CHAERN COc1ccc(COCC(C)C)cc1Br ZINC000049600986 524111962 /nfs/dbraw/zinc/11/19/62/524111962.db2.gz SBESHGJFPRJJEQ-UHFFFAOYSA-N 0 0 273.170 3.630 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1C(N)=S ZINC000062788633 524151312 /nfs/dbraw/zinc/15/13/12/524151312.db2.gz KYXIWYLLIKVDOS-SKDRFNHKSA-N 0 0 283.824 3.932 10 0 CHAERN C[C@H]1CCC[C@@H](SCc2nc3cc(N)ccc3[nH]2)C1 ZINC000054689622 524154273 /nfs/dbraw/zinc/15/42/73/524154273.db2.gz QZSQQBPWYSWIFU-CMPLNLGQSA-N 0 0 275.421 3.957 10 0 CHAERN COc1cccc([C@](C)(O)c2ccc(C)cc2C)c1 ZINC000055235353 524191126 /nfs/dbraw/zinc/19/11/26/524191126.db2.gz DOZAOUTZYCNTCH-KRWDZBQOSA-N 0 0 256.345 3.568 10 0 CHAERN COc1ccc(Cl)cc1N[C@H](C)c1cn(C)nc1C ZINC000087406576 524245856 /nfs/dbraw/zinc/24/58/56/524245856.db2.gz NXJDMCUHAVOHAC-SECBINFHSA-N 0 0 279.771 3.564 10 0 CHAERN Cc1cc(C)c(OCCCc2ccccc2)c(N)c1 ZINC000050441799 524311954 /nfs/dbraw/zinc/31/19/54/524311954.db2.gz BSLPSUVDIHDOEM-UHFFFAOYSA-N 0 0 255.361 3.897 10 0 CHAERN C[C@@H]1CCC[C@@](O)(Cc2c(F)cccc2Cl)C1 ZINC000049346175 524341369 /nfs/dbraw/zinc/34/13/69/524341369.db2.gz KUTKACQMRLSIKS-YGRLFVJLSA-N 0 0 256.748 3.963 10 0 CHAERN Cc1cc(C)cc(N(C)c2nc(Cl)nc(Cl)n2)c1 ZINC000061519085 524405421 /nfs/dbraw/zinc/40/54/21/524405421.db2.gz NROMDPZDZIQRLZ-UHFFFAOYSA-N 0 0 283.162 3.563 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052904706 524411694 /nfs/dbraw/zinc/41/16/94/524411694.db2.gz COVYTPLHJAHIEF-ZJUUUORDSA-N 0 0 282.840 3.965 10 0 CHAERN Cc1ccc(CN2CCCC[C@@H]2c2nccs2)o1 ZINC000127648732 524445022 /nfs/dbraw/zinc/44/50/22/524445022.db2.gz FKFRBNOPBUGXNN-CYBMUJFWSA-N 0 0 262.378 3.772 10 0 CHAERN Cc1cccc(COc2cc(F)ccc2[C@H](C)O)c1 ZINC000062749399 524445658 /nfs/dbraw/zinc/44/56/58/524445658.db2.gz AUZNMGMVGJSPCI-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN Cc1cccc(COc2cccc3c2CC[C@@H]3O)c1 ZINC000062800988 524451116 /nfs/dbraw/zinc/45/11/16/524451116.db2.gz BCWZNKFNVCTRGY-INIZCTEOSA-N 0 0 254.329 3.554 10 0 CHAERN Cc1cc(C)nc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000042240375 524595807 /nfs/dbraw/zinc/59/58/07/524595807.db2.gz OACBJSGGOAELAW-SECBINFHSA-N 0 0 267.785 3.981 10 0 CHAERN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)on1 ZINC000130291791 524742755 /nfs/dbraw/zinc/74/27/55/524742755.db2.gz ZEPNHNMSHLBMEZ-DLBZAZTESA-N 0 0 298.386 3.526 10 0 CHAERN Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)on1 ZINC000130291548 524744518 /nfs/dbraw/zinc/74/45/18/524744518.db2.gz ZEPNHNMSHLBMEZ-SJORKVTESA-N 0 0 298.386 3.526 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)NC(c1cccs1)c1cccs1 ZINC000125559711 524848772 /nfs/dbraw/zinc/84/87/72/524848772.db2.gz GRFBYFUJVVRKGB-UWVGGRQHSA-N 0 0 292.429 3.607 10 0 CHAERN Cc1ccc(I)c(-c2ccncc2)c1 ZINC000047213986 524873761 /nfs/dbraw/zinc/87/37/61/524873761.db2.gz GAGNJSJLLQHEQC-UHFFFAOYSA-N 0 0 295.123 3.662 10 0 CHAERN COc1ccc(Oc2ccc(-c3nsc(N)n3)cc2)cc1 ZINC000053994446 524992633 /nfs/dbraw/zinc/99/26/33/524992633.db2.gz BYGGFQDFNGBNAA-UHFFFAOYSA-N 0 0 299.355 3.588 10 0 CHAERN Cc1cc(N2CCC[C@H]3CCCC[C@@H]32)ccc1CO ZINC000050582876 525074264 /nfs/dbraw/zinc/07/42/64/525074264.db2.gz KXIPOLVYFXITBA-PBHICJAKSA-N 0 0 259.393 3.646 10 0 CHAERN COc1ccc([C@@H](C)Nc2ccncc2Cl)cc1OC ZINC000094266988 525164787 /nfs/dbraw/zinc/16/47/87/525164787.db2.gz RROLCCOXPVANGW-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN Cc1ccccc1C[S@](=O)Cc1cc(N)ccc1Cl ZINC000054964450 525201996 /nfs/dbraw/zinc/20/19/96/525201996.db2.gz KZBGRGFIRDRDGN-LJQANCHMSA-N 0 0 293.819 3.680 10 0 CHAERN COc1ccc([C@@H](O)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000055203830 525208921 /nfs/dbraw/zinc/20/89/21/525208921.db2.gz DSUSHHYEULWCFM-HSMVNMDESA-N 0 0 264.365 3.564 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(c3cccc(C)n3)C2)cc1 ZINC000157638216 525265798 /nfs/dbraw/zinc/26/57/98/525265798.db2.gz BSPOGVRYVKOAKY-GOEBONIOSA-N 0 0 282.387 3.781 10 0 CHAERN C[C@]1(O)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(C[C@@H]4CO)CC[C@H]12 ZINC000248021542 525308531 /nfs/dbraw/zinc/30/85/31/525308531.db2.gz LZAZGDZVFQSCFO-RMVVIVTNSA-N 0 0 292.463 3.753 10 0 CHAERN C[C@@H]1C[C@@H]1c1[nH]nc(N)c1-c1ccccc1Br ZINC000055333986 525350452 /nfs/dbraw/zinc/35/04/52/525350452.db2.gz WTIINLSFYIZKGM-APPZFPTMSA-N 0 0 292.180 3.545 10 0 CHAERN C[C@H](NCc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000054788752 525471103 /nfs/dbraw/zinc/47/11/03/525471103.db2.gz YNQBULUWUKJZHW-VIFPVBQESA-N 0 0 282.174 3.634 10 0 CHAERN COc1ccc2c(C)c([C@@H](N)c3ccsc3)oc2c1 ZINC000050339722 525496561 /nfs/dbraw/zinc/49/65/61/525496561.db2.gz YGTJHRHUENVLOM-AWEZNQCLSA-N 0 0 273.357 3.859 10 0 CHAERN Cc1cccnc1[C@@H](O)c1cccc(Cl)c1Cl ZINC000055203575 525548793 /nfs/dbraw/zinc/54/87/93/525548793.db2.gz VTYWFSKEUNKXAT-ZDUSSCGKSA-N 0 0 268.143 3.779 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000190291883 525557291 /nfs/dbraw/zinc/55/72/91/525557291.db2.gz MFMWKGRPYTXOCL-WPRPVWTQSA-N 0 0 288.174 3.747 10 0 CHAERN Cc1cc2c(N[C@H]3CCC[C@@H](C(F)(F)F)C3)nccn2n1 ZINC000274685017 525588233 /nfs/dbraw/zinc/58/82/33/525588233.db2.gz OSAQHYHYYWMXIK-MNOVXSKESA-N 0 0 298.312 3.571 10 0 CHAERN C[C@@H](N[C@@H](C)c1cc[nH]n1)c1ccc(Br)cc1 ZINC000049515653 525604254 /nfs/dbraw/zinc/60/42/54/525604254.db2.gz LPBQCMYHEVEYIQ-ZJUUUORDSA-N 0 0 294.196 3.584 10 0 CHAERN Cc1cc2nc(-c3ccc(F)cc3N)[nH]c2cc1C ZINC000051847947 525669200 /nfs/dbraw/zinc/66/92/00/525669200.db2.gz JOXGDHHEYYKXOX-UHFFFAOYSA-N 0 0 255.296 3.568 10 0 CHAERN C[C@@H](Nc1ncc(Br)cc1Cl)C1CC1 ZINC000235259357 525727997 /nfs/dbraw/zinc/72/79/97/525727997.db2.gz QSVVPNSEBUCHMD-ZCFIWIBFSA-N 0 0 275.577 3.708 10 0 CHAERN C[C@@H](Nc1ncnc(Cl)c1N)c1cccc(Cl)c1 ZINC000062363520 525731629 /nfs/dbraw/zinc/73/16/29/525731629.db2.gz FQXZOWYMYTZEID-SSDOTTSWSA-N 0 0 283.162 3.539 10 0 CHAERN CS[C@@H](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000128795914 525792809 /nfs/dbraw/zinc/79/28/09/525792809.db2.gz ZRKLRXZVBOWSHC-AAEUAGOBSA-N 0 0 293.432 3.547 10 0 CHAERN COc1cccc(C(=O)c2ccc(Cl)cc2F)c1 ZINC000062785260 525840501 /nfs/dbraw/zinc/84/05/01/525840501.db2.gz KURJSJOOFSABME-UHFFFAOYSA-N 0 0 264.683 3.719 10 0 CHAERN C[C@@H](O)c1ccc(N(C)CC2CCC2)c(Cl)c1 ZINC000061697118 525868547 /nfs/dbraw/zinc/86/85/47/525868547.db2.gz SSAYNOHUGSATPJ-SNVBAGLBSA-N 0 0 253.773 3.630 10 0 CHAERN COc1cccc(CC2(O)CCC(C(C)C)CC2)c1 ZINC000054557414 525877273 /nfs/dbraw/zinc/87/72/73/525877273.db2.gz IKIFNVKUEYONKU-UHFFFAOYSA-N 0 0 262.393 3.815 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C2CCC2)o1 ZINC000102902027 525896254 /nfs/dbraw/zinc/89/62/54/525896254.db2.gz XLWZVGJMRSZVBV-GXTWGEPZSA-N 0 0 276.380 3.623 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)o1 ZINC000129097538 525993377 /nfs/dbraw/zinc/99/33/77/525993377.db2.gz WFXYUWXPLYRRDG-CYBMUJFWSA-N 0 0 292.766 3.937 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)o1 ZINC000127965145 525993396 /nfs/dbraw/zinc/99/33/96/525993396.db2.gz QROVTLJPEDIJJM-LSDHHAIUSA-N 0 0 273.376 3.998 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)c1ncnc(Cl)c1N ZINC000062364688 526050642 /nfs/dbraw/zinc/05/06/42/526050642.db2.gz HXVHCUSWZRVPIA-MRVPVSSYSA-N 0 0 297.189 3.563 10 0 CHAERN Cc1ccc(C(C)C)c(Oc2ncnc(Cl)c2N)c1 ZINC000062364887 526249767 /nfs/dbraw/zinc/24/97/67/526249767.db2.gz OCTNOVMDJSQNKU-UHFFFAOYSA-N 0 0 277.755 3.936 10 0 CHAERN C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755166 526255518 /nfs/dbraw/zinc/25/55/18/526255518.db2.gz JAGJVTYIHOMUBT-ZQDZILKHSA-N 0 0 267.413 3.530 10 0 CHAERN C[C@H]1CCCC[C@@]1(O)Cc1c(F)cccc1Cl ZINC000049346195 526259838 /nfs/dbraw/zinc/25/98/38/526259838.db2.gz PWWOCSZPQDOCAS-IINYFYTJSA-N 0 0 256.748 3.963 10 0 CHAERN O[C@H](Cc1cc(F)cc(F)c1)c1ccccc1Cl ZINC000049348426 526294853 /nfs/dbraw/zinc/29/48/53/526294853.db2.gz IBQIWYMELZNGJK-CQSZACIVSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1cccs1)Cc1c(F)cccc1Cl ZINC000052900301 526297955 /nfs/dbraw/zinc/29/79/55/526297955.db2.gz WWCCOMQOUNLIRI-SECBINFHSA-N 0 0 270.756 3.687 10 0 CHAERN c1ccc(C2(c3nnc(C4CCCC4)[nH]3)CC2)cc1 ZINC000061618294 526462188 /nfs/dbraw/zinc/46/21/88/526462188.db2.gz CIJICGVCOIXSGZ-UHFFFAOYSA-N 0 0 253.349 3.542 10 0 CHAERN Cc1noc(C)c1COc1cccc2ccc(C)nc21 ZINC000066059369 526523729 /nfs/dbraw/zinc/52/37/29/526523729.db2.gz IHPWYBSFPPEQEL-UHFFFAOYSA-N 0 0 268.316 3.727 10 0 CHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCc2sccc2C1 ZINC000132604381 526566117 /nfs/dbraw/zinc/56/61/17/526566117.db2.gz QQULGGMLTCYKHK-GJZGRUSLSA-N 0 0 289.444 3.849 10 0 CHAERN Cc1nc(-c2ccccc2Cl)sc1[C@H](C)O ZINC000050438927 526606491 /nfs/dbraw/zinc/60/64/91/526606491.db2.gz AVPASLGLPKDQKT-QMMMGPOBSA-N 0 0 253.754 3.825 10 0 CHAERN Nc1nc(-c2csc3ccccc32)cc(C(F)(F)F)n1 ZINC000390825159 526844329 /nfs/dbraw/zinc/84/43/29/526844329.db2.gz UTLMGKJHLUHQHK-UHFFFAOYSA-N 0 0 295.289 3.790 10 0 CHAERN Clc1cc(NCc2cccc3ccccc32)ncn1 ZINC000052064193 526929775 /nfs/dbraw/zinc/92/97/75/526929775.db2.gz PKCUUROGFLCQOV-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN Cc1nc(N)sc1SCc1ccc(F)cc1F ZINC000050884976 526960236 /nfs/dbraw/zinc/96/02/36/526960236.db2.gz LKMZRKUHLLDZGL-UHFFFAOYSA-N 0 0 272.345 3.604 10 0 CHAERN Cc1nc(N2CCC3(CCCCC3)CC2)sc1C=O ZINC000061823658 526965033 /nfs/dbraw/zinc/96/50/33/526965033.db2.gz SBMZQPAULLTGSS-UHFFFAOYSA-N 0 0 278.421 3.815 10 0 CHAERN Clc1nc(C2(c3ccccc3)CC2)nc2c1CCC2 ZINC000062780419 527003911 /nfs/dbraw/zinc/00/39/11/527003911.db2.gz PCYAYJNLWPWSEP-UHFFFAOYSA-N 0 0 270.763 3.699 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(F)c2)cs1 ZINC000187012502 527050853 /nfs/dbraw/zinc/05/08/53/527050853.db2.gz SVJKINNQUSDOGE-AWEZNQCLSA-N 0 0 290.363 3.568 10 0 CHAERN Cc1nc([C@H](C)N[C@@H]2CCOc3ccccc32)cs1 ZINC000037074419 527066176 /nfs/dbraw/zinc/06/61/76/527066176.db2.gz RPOZHSBEWUGQRX-GXFFZTMASA-N 0 0 274.389 3.626 10 0 CHAERN NC(=S)c1cc(Oc2ccc(Cl)c(Cl)c2)ccn1 ZINC000061813536 527117733 /nfs/dbraw/zinc/11/77/33/527117733.db2.gz GLGLUPGQFPLTIG-UHFFFAOYSA-N 0 0 299.182 3.815 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1cc(Cl)ccc1F ZINC000052852624 527121753 /nfs/dbraw/zinc/12/17/53/527121753.db2.gz XKGBBXBICFHRMZ-UHFFFAOYSA-N 0 0 275.714 3.709 10 0 CHAERN CC(C)(c1noc([C@H]2CCC[C@@H](C(N)=O)C2)n1)C1CCC1 ZINC000333225933 527383547 /nfs/dbraw/zinc/38/35/47/527383547.db2.gz NCILAGOKAWQJJZ-MNOVXSKESA-N 0 0 291.395 3.956 10 0 CHAERN Nc1n[nH]c(C2CCC2)c1-c1ccc(F)cc1Cl ZINC000062609571 527422197 /nfs/dbraw/zinc/42/21/97/527422197.db2.gz KSEQNAZUHSFIDI-UHFFFAOYSA-N 0 0 265.719 3.719 10 0 CHAERN Cc1ncsc1[C@H](C)Nc1ccccc1[C@H](C)O ZINC000049543114 527517463 /nfs/dbraw/zinc/51/74/63/527517463.db2.gz LKWNADKNAILCCO-QWRGUYRKSA-N 0 0 262.378 3.678 10 0 CHAERN Nc1cccc(Cl)c1-n1cc(-c2ccccc2)cn1 ZINC000054937931 527518141 /nfs/dbraw/zinc/51/81/41/527518141.db2.gz YYBFMCBAYPZHST-UHFFFAOYSA-N 0 0 269.735 3.775 10 0 CHAERN O[C@@H](Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000049348388 527664177 /nfs/dbraw/zinc/66/41/77/527664177.db2.gz DWRQHXHIZNFKBB-AWEZNQCLSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1Cl)c1ccccc1F ZINC000062607431 527664303 /nfs/dbraw/zinc/66/43/03/527664303.db2.gz RLMYQRVGTAMIDY-AWEZNQCLSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H](c1ccccc1OC(F)(F)F)C1CCCC1 ZINC000055202611 527666765 /nfs/dbraw/zinc/66/67/65/527666765.db2.gz KSVJNBOPUZDXLT-GFCCVEGCSA-N 0 0 260.255 3.809 10 0 CHAERN O[C@H](CCOc1ccccc1)c1ccc(Cl)cc1F ZINC000062785660 527682998 /nfs/dbraw/zinc/68/29/98/527682998.db2.gz PRHZKRMANISBRH-OAHLLOKOSA-N 0 0 280.726 3.982 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(OC(C)C)cc1 ZINC000087407238 527697380 /nfs/dbraw/zinc/69/73/80/527697380.db2.gz YAISGNHDJMALIY-GFCCVEGCSA-N 0 0 273.380 3.689 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCSc2ccc(N)cc21 ZINC000038051281 534983550 /nfs/dbraw/zinc/98/35/50/534983550.db2.gz GYKXTNMOKQTULL-LBPRGKRZSA-N 0 0 292.448 3.924 10 0 CHAERN Brc1ccccc1[C@H]1NCCc2sccc21 ZINC000397232895 570289879 /nfs/dbraw/zinc/28/98/79/570289879.db2.gz SGLPHUNJSIOOIX-CYBMUJFWSA-N 0 0 294.217 3.746 10 0 CHAERN Nc1c(F)ccc(-c2cc(C(F)(F)F)ccn2)c1F ZINC000675059285 570365319 /nfs/dbraw/zinc/36/53/19/570365319.db2.gz MQNIOHKZSHFSKB-UHFFFAOYSA-N 0 0 274.192 3.628 10 0 CHAERN CC1CCC(O)(c2ccccc2Br)CC1 ZINC000521401747 570340125 /nfs/dbraw/zinc/34/01/25/570340125.db2.gz MLQMYLITKDNECF-UHFFFAOYSA-N 0 0 269.182 3.847 10 0 CHAERN O=c1cc(CCc2ccccc2)oc2ccccc12 ZINC000000897928 560179108 /nfs/dbraw/zinc/17/91/08/560179108.db2.gz VNZNWFQJBFLELF-UHFFFAOYSA-N 0 0 250.297 3.578 10 0 biogenic,in-vitro CHAERN C[C@@H]1CCC[C@](O)(c2ccccc2Br)C1 ZINC000521400651 566895144 /nfs/dbraw/zinc/89/51/44/566895144.db2.gz CBNWRLJTBYMBBX-ZWNOBZJWSA-N 0 0 269.182 3.847 10 0 CHAERN CC(=O)C[C@@H](C)Sc1cccc(Br)c1 ZINC000082794418 566943588 /nfs/dbraw/zinc/94/35/88/566943588.db2.gz VSEWTRJWWHGHKI-SECBINFHSA-N 0 0 273.195 3.909 10 0 CHAERN O=C1[C@@H]2[C@H](C[C@@H]2c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000669372339 566949385 /nfs/dbraw/zinc/94/93/85/566949385.db2.gz MKUKVMKYVKARPS-KBAYOESNSA-N 0 0 295.357 3.588 10 0 CHAERN C[C@H]1C(=O)CC[C@@H]1Sc1ccc(Br)cc1 ZINC000083000427 566962434 /nfs/dbraw/zinc/96/24/34/566962434.db2.gz KXPMNMYSFJKHNL-UFBFGSQYSA-N 0 0 285.206 3.909 10 0 CHAERN Cc1sc(-c2cc[nH]n2)cc1NC(=O)C1CCCCC1 ZINC000075519274 566964725 /nfs/dbraw/zinc/96/47/25/566964725.db2.gz RQVRXQDAEAQWOB-UHFFFAOYSA-N 0 0 289.404 3.965 10 0 CHAERN COc1cc(O)cc(-c2cc3c(cccc3O)o2)c1 ZINC000013340660 567019487 /nfs/dbraw/zinc/01/94/87/567019487.db2.gz LNYJPSJEXBTRPO-UHFFFAOYSA-N 0 0 256.257 3.520 10 0 biogenic,in-vitro CHAERN Cc1c(N)cc(-c2nccs2)cc1C(F)(F)F ZINC000675080852 567026847 /nfs/dbraw/zinc/02/68/47/567026847.db2.gz WTSBHPVCUOOLCT-UHFFFAOYSA-N 0 0 258.268 3.720 10 0 CHAERN CC(C)Oc1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000406100750 567039426 /nfs/dbraw/zinc/03/94/26/567039426.db2.gz KMTLYNIRXITHNW-DHZHZOJOSA-N 0 0 262.349 3.829 10 0 CHAERN CC1(C)CC(=O)CC(C)(C)P1(=O)c1ccccc1 ZINC000048523810 567091676 /nfs/dbraw/zinc/09/16/76/567091676.db2.gz VYAMYKUUSCVTBW-UHFFFAOYSA-N 0 0 264.305 3.595 10 0 CHAERN CC(=O)c1ccc(Sc2nc(C)cs2)c(F)c1 ZINC000019871866 567211696 /nfs/dbraw/zinc/21/16/96/567211696.db2.gz AHGOSUZXZNULIM-UHFFFAOYSA-N 0 0 267.350 3.944 10 0 CHAERN Cc1cc(Sc2ccccc2)nc(NC2CC2)n1 ZINC000058825840 567217579 /nfs/dbraw/zinc/21/75/79/567217579.db2.gz JMQPXRNEHUQMTM-UHFFFAOYSA-N 0 0 257.362 3.511 10 0 CHAERN CC(=O)c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000058826102 567217587 /nfs/dbraw/zinc/21/75/87/567217587.db2.gz POWCSJAXNSKDFV-JTQLQIEISA-N 0 0 251.757 3.921 10 0 CHAERN C[C@@H](C1C(C)(C)C1(C)C)N(Cc1ccccc1)C(N)=O ZINC000000044136 567817008 /nfs/dbraw/zinc/81/70/08/567817008.db2.gz RIQHFWRAAARWND-LBPRGKRZSA-N 0 0 274.408 3.638 10 0 CHAERN Cc1cc(NCC(F)(F)F)ccc1Br ZINC000020045382 567845576 /nfs/dbraw/zinc/84/55/76/567845576.db2.gz DBRMBSVHACTSAG-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN CCCc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1 ZINC000004377679 567857451 /nfs/dbraw/zinc/85/74/51/567857451.db2.gz LJLUHCWJHIETCP-RCBQFDQVSA-N 0 0 285.387 3.565 10 0 CHAERN Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 ZINC000019875200 567879797 /nfs/dbraw/zinc/87/97/97/567879797.db2.gz GCEZBESOBSHFHY-UHFFFAOYSA-N 0 0 272.779 3.875 10 0 CHAERN CN(C)c1ncc(-c2ccc(C=O)cc2)cc1C(F)(F)F ZINC000584881294 567882792 /nfs/dbraw/zinc/88/27/92/567882792.db2.gz QPVGBGMGSASZFA-UHFFFAOYSA-N 0 0 294.276 3.646 10 0 CHAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccc(C)cc1 ZINC000041434372 567891289 /nfs/dbraw/zinc/89/12/89/567891289.db2.gz VQMIYQMGNVIHJS-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1cccc2cccnc12 ZINC000406122561 567892742 /nfs/dbraw/zinc/89/27/42/567892742.db2.gz VAMLIHUTOIJCGG-MDZDMXLPSA-N 0 0 255.317 3.590 10 0 CHAERN FC(F)(F)Cc1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245637 567908142 /nfs/dbraw/zinc/90/81/42/567908142.db2.gz KTPFJZUWVIZHAA-UHFFFAOYSA-N 0 0 289.688 3.755 10 0 CHAERN O[C@@H](c1ccc(Br)c(Cl)c1)C(F)(F)F ZINC000236546856 567910372 /nfs/dbraw/zinc/91/03/72/567910372.db2.gz GRRMRHIHIKXJGB-ZETCQYMHSA-N 0 0 289.478 3.698 10 0 CHAERN Cc1cccc2c1NC[C@H](C)[C@H]2CC(=O)OC(C)(C)C ZINC000725253702 567911159 /nfs/dbraw/zinc/91/11/59/567911159.db2.gz FWQFCTTXQBGXJE-GXTWGEPZSA-N 0 0 275.392 3.872 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)c2c(CO)cc(Cl)nc21 ZINC000725259083 567917070 /nfs/dbraw/zinc/91/70/70/567917070.db2.gz CFPRZWRDJYNMOP-ONGXEEELSA-N 0 0 253.773 3.864 10 0 CHAERN CC(C)(C)OC(=O)Nc1c(C=O)ccc2ccccc21 ZINC000725262406 567922152 /nfs/dbraw/zinc/92/21/52/567922152.db2.gz YGHDTHYKHQXALZ-UHFFFAOYSA-N 0 0 271.316 3.999 10 0 CHAERN CC1(C)CCN(c2cc(N)ccc2C(F)(F)F)CC1 ZINC000725263610 567922951 /nfs/dbraw/zinc/92/29/51/567922951.db2.gz VIHPJPGPYIUIFW-UHFFFAOYSA-N 0 0 272.314 3.914 10 0 CHAERN C[C@@H]1CCCN(c2cc(N)ccc2C(F)(F)F)[C@H]1C ZINC000725263645 567922969 /nfs/dbraw/zinc/92/29/69/567922969.db2.gz YFEOCEOYEHITLI-ZJUUUORDSA-N 0 0 272.314 3.912 10 0 CHAERN CCC1(C)CC[NH+](C2CCC(C)(C(=O)[O-])CC2)CC1 ZINC000725263907 567923043 /nfs/dbraw/zinc/92/30/43/567923043.db2.gz ARQXDXDUJGCOTK-UHFFFAOYSA-N 0 0 267.413 3.532 10 0 CHAERN CCCCCCC1N=NC(=S)N1C1CCCC1 ZINC000725265534 567923556 /nfs/dbraw/zinc/92/35/56/567923556.db2.gz MNVFRCGHZYSCQK-UHFFFAOYSA-N 0 0 253.415 3.805 10 0 CHAERN CC(C)[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265579 567923577 /nfs/dbraw/zinc/92/35/77/567923577.db2.gz KUEZLOMFVIWPHO-LLVKDONJSA-N 0 0 258.340 3.977 10 0 CHAERN COCC[C@H](CNc1ccccc1)c1ccccc1 ZINC000725266971 567923886 /nfs/dbraw/zinc/92/38/86/567923886.db2.gz OITSNCZYCPHGBC-MRXNPFEDSA-N 0 0 255.361 3.919 10 0 CHAERN CCc1ccc2c(c1)C[C@H](O)[C@@H](C1CCCCC1)N2 ZINC000725267991 567924032 /nfs/dbraw/zinc/92/40/32/567924032.db2.gz DVSLHNXDKYOHBH-DLBZAZTESA-N 0 0 259.393 3.527 10 0 CHAERN NNc1cc2c(Br)cccc2nc1C1CCC1 ZINC000725268457 567924098 /nfs/dbraw/zinc/92/40/98/567924098.db2.gz RJMCLDPLKMBYSE-UHFFFAOYSA-N 0 0 292.180 3.550 10 0 CHAERN O=c1[nH]c(-c2ccccc2C(F)(F)F)nc2ccccc21 ZINC000053845831 570239538 /nfs/dbraw/zinc/23/95/38/570239538.db2.gz HTYVBBVHPPVOSE-UHFFFAOYSA-N 0 0 290.244 3.609 10 0 CHAERN CCOC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000065335549 570243587 /nfs/dbraw/zinc/24/35/87/570243587.db2.gz NLIAYNFHYPCGFM-UHFFFAOYSA-N 0 0 254.376 3.516 10 0 CHAERN Cc1nn(C(C)C)cc1NCc1ccc(O)c(Cl)c1 ZINC000725242689 570254755 /nfs/dbraw/zinc/25/47/55/570254755.db2.gz VHWSRXXXRAYPCD-UHFFFAOYSA-N 0 0 279.771 3.744 10 0 CHAERN CCCc1cc2nc(C(C)(C)C)nn2c(Br)c1 ZINC000725248376 570256175 /nfs/dbraw/zinc/25/61/75/570256175.db2.gz SOMNEIIAGYWWTB-UHFFFAOYSA-N 0 0 296.212 3.742 10 0 CHAERN CC(C)c1cc2nc(C3CCC3)nn2c(Br)c1 ZINC000725248215 570256042 /nfs/dbraw/zinc/25/60/42/570256042.db2.gz OJCISKFCRXUGSM-UHFFFAOYSA-N 0 0 294.196 3.883 10 0 CHAERN CC(C)c1nn(C)cc1-c1cccc(Br)c1 ZINC000675070222 570366599 /nfs/dbraw/zinc/36/65/99/570366599.db2.gz RYRBPNSGYNYIQU-UHFFFAOYSA-N 0 0 279.181 3.973 10 0 CHAERN CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC1 ZINC000675059166 570365361 /nfs/dbraw/zinc/36/53/61/570365361.db2.gz AJASNCMSFPRBMJ-RAFNIBEQSA-N 0 0 281.440 3.539 10 0 CHAERN CCCN(CC)[S@@](=O)(=N[C@H](C)CC)c1cccc(N)c1 ZINC000675075474 570368087 /nfs/dbraw/zinc/36/80/87/570368087.db2.gz PIKXKARFAHGAPI-XCLFUZPHSA-N 0 0 297.468 3.541 10 0 CHAERN CC(C)(C)CCCC(=O)CNC(=O)OCc1ccccc1 ZINC000405872807 570411430 /nfs/dbraw/zinc/41/14/30/570411430.db2.gz CVBURLRJQGKDFU-UHFFFAOYSA-N 0 0 291.391 3.698 10 0 CHAERN CC[C@@H]1[C@@H](C)CNc2c(Br)c(C(C)C)nn21 ZINC000233928698 570411885 /nfs/dbraw/zinc/41/18/85/570411885.db2.gz PNARRIZHJRWUIF-DTWKUNHWSA-N 0 0 286.217 3.782 10 0 CHAERN CC(C)(C)C[N@H+](CC/C=C/c1ccccc1)CC(=O)[O-] ZINC000700927091 954879726 /nfs/dbraw/zinc/87/97/26/954879726.db2.gz RBJYKJRFBDTKNK-YRNVUSSQSA-N 0 0 275.392 3.523 10 0 CHAERN CC(C)[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000703646359 977174409 /nfs/dbraw/zinc/17/44/09/977174409.db2.gz KEKQNLJUIGLWFJ-LBPRGKRZSA-N 0 0 295.810 3.906 10 0 CHAERN CCC[N@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccccc1 ZINC000711415468 977545061 /nfs/dbraw/zinc/54/50/61/977545061.db2.gz GCPIMSVXXGNPDW-UHFFFAOYSA-N 0 0 289.400 3.859 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000721397238 978102145 /nfs/dbraw/zinc/10/21/45/978102145.db2.gz GHSCGYHWRNIYES-UHFFFAOYSA-N 0 0 279.355 3.679 10 0 CHAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1cccnc1Cl ZINC000103056904 1129694879 /nfs/dbraw/zinc/69/48/79/1129694879.db2.gz CJCKWFCUEACYKA-DGCLKSJQSA-N 0 0 280.799 3.680 10 0 CHAERN COc1ccccc1CN1CCC[C@H]1c1csc(C)n1 ZINC000189931669 1126937099 /nfs/dbraw/zinc/93/70/99/1126937099.db2.gz YPTHBUGGUYCZIQ-HNNXBMFYSA-N 0 0 288.416 3.797 10 0 CHAERN CC/C=C\CCSCc1cc(-c2cnn(C)c2)no1 ZINC000588480750 1127018159 /nfs/dbraw/zinc/01/81/59/1127018159.db2.gz NUFFCSBNFDMCGW-PLNGDYQASA-N 0 0 277.393 3.665 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000362837276 1127651404 /nfs/dbraw/zinc/65/14/04/1127651404.db2.gz CNRQKNHGZNVXAD-ZBFHGGJFSA-N 0 0 268.360 3.573 10 0 CHAERN COc1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000003104066 1117783568 /nfs/dbraw/zinc/78/35/68/1117783568.db2.gz NXVGMVWPGARCGS-IZZDOVSWSA-N 0 0 288.730 3.967 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CCCC12CCCC2 ZINC000365538837 1118050552 /nfs/dbraw/zinc/05/05/52/1118050552.db2.gz OUVIUEAANOJWGO-UHFFFAOYSA-N 0 0 261.340 3.683 10 0 CHAERN CC[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606807 1118058022 /nfs/dbraw/zinc/05/80/22/1118058022.db2.gz FZIWBHUZSMQUDU-VXGBXAGGSA-N 0 0 261.394 3.590 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000588390934 1118513802 /nfs/dbraw/zinc/51/38/02/1118513802.db2.gz GLELSQLUIOBITQ-CKXPSTMWSA-N 0 0 291.366 3.758 10 0 CHAERN CCOC(=O)c1ncc(-c2cccc3ccccc32)o1 ZINC000409427128 1118544455 /nfs/dbraw/zinc/54/44/55/1118544455.db2.gz HPLIAFAQCJPABJ-UHFFFAOYSA-N 0 0 267.284 3.672 10 0 CHAERN OCC1(c2ccc(Br)cc2)CC2(CCC2)C1 ZINC000409425666 1118544521 /nfs/dbraw/zinc/54/45/21/1118544521.db2.gz MOKSJIFNAFQEPT-UHFFFAOYSA-N 0 0 281.193 3.643 10 0 CHAERN Cn1nc(C2CCCC2)cc1NC(=O)/C=C\C(C)(C)C ZINC000588420075 1118642236 /nfs/dbraw/zinc/64/22/36/1118642236.db2.gz JDLAEKDBBWMIAN-KTKRTIGZSA-N 0 0 275.396 3.619 10 0 CHAERN Cc1nc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)c(C)o1 ZINC000293647135 1118766756 /nfs/dbraw/zinc/76/67/56/1118766756.db2.gz UXHIKGZFNAXDCZ-MEBBXXQBSA-N 0 0 284.359 3.660 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000588449066 1118788999 /nfs/dbraw/zinc/78/89/99/1118788999.db2.gz AFWSDXLQFCRMPE-OBBGCOQJSA-N 0 0 294.778 3.852 10 0 CHAERN CC[C@H](CNC(=O)/C=C\c1ncccc1C)c1ccccc1 ZINC000588451633 1118797147 /nfs/dbraw/zinc/79/71/47/1118797147.db2.gz GAOSCBLEZCKCBK-YUQCYMQKSA-N 0 0 294.398 3.713 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(Cl)c1 ZINC000588451354 1118797515 /nfs/dbraw/zinc/79/75/15/1118797515.db2.gz BMOZIMHNBCOOGT-FPLPWBNLSA-N 0 0 272.735 3.695 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(C)C1CCCCCCC1 ZINC000588452615 1118798437 /nfs/dbraw/zinc/79/84/37/1118798437.db2.gz VRBOKMFJZIQOMU-SEYXRHQNSA-N 0 0 286.419 3.975 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(F)c(Cl)c1 ZINC000588452315 1118798679 /nfs/dbraw/zinc/79/86/79/1118798679.db2.gz MEEHPYDTYWBONZ-SREVYHEPSA-N 0 0 290.725 3.834 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@H]1CCCc2sccc21 ZINC000588474851 1118899079 /nfs/dbraw/zinc/89/90/79/1118899079.db2.gz MBKATFGRMCXNNK-UPZNUWHASA-N 0 0 263.406 3.844 10 0 CHAERN Cc1ccsc1COC(=O)/C=C\c1scnc1C ZINC000588520010 1119086563 /nfs/dbraw/zinc/08/65/63/1119086563.db2.gz WFRZOMFLQGFZDX-ARJAWSKDSA-N 0 0 279.386 3.578 10 0 CHAERN CC/C=C(/C)C(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000588540464 1119155356 /nfs/dbraw/zinc/15/53/56/1119155356.db2.gz LMZQGELRIAHFHS-NSIKDUERSA-N 0 0 284.403 3.502 10 0 CHAERN C/C=C(/CC)C(=O)O[C@@H](c1ncccn1)C1CCCC1 ZINC000588570168 1119321410 /nfs/dbraw/zinc/32/14/10/1119321410.db2.gz DHQQCTUAMBJSGR-BOTKQDERSA-N 0 0 274.364 3.607 10 0 CHAERN O=C(C/C=C\c1cccc(F)c1)O[C@@H]1CCc2cccnc21 ZINC000588573795 1119333229 /nfs/dbraw/zinc/33/32/29/1119333229.db2.gz HEVLJZKBIQADOD-SVERHTFXSA-N 0 0 297.329 3.855 10 0 CHAERN C/C(=C/C(=O)NCc1ccc(C2CC2)cc1)C1CC1 ZINC000588583695 1119418714 /nfs/dbraw/zinc/41/87/14/1119418714.db2.gz PTCFSMUKPBFMHR-BENRWUELSA-N 0 0 255.361 3.537 10 0 CHAERN C/C=C(/CC)C(=O)OCC1(c2ccccc2)CCOCC1 ZINC000588599807 1119529017 /nfs/dbraw/zinc/52/90/17/1119529017.db2.gz FQSIGGIIEOECQL-CQPUUCJISA-N 0 0 288.387 3.634 10 0 CHAERN CCCn1nccc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000102380726 1119964380 /nfs/dbraw/zinc/96/43/80/1119964380.db2.gz QAVPPTIAGOGLLB-UHFFFAOYSA-N 0 0 288.395 3.545 10 0 CHAERN C[C@@H](NC(=O)Nc1cccc2ccsc21)[C@@H]1CCCO1 ZINC000332699430 1121472985 /nfs/dbraw/zinc/47/29/85/1121472985.db2.gz RBLUTKAKQXPECC-MFKMUULPSA-N 0 0 290.388 3.590 10 0 CHAERN CC(C)=CC(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000103807732 1122095928 /nfs/dbraw/zinc/09/59/28/1122095928.db2.gz POTJEVBMYOXFKM-KRWDZBQOSA-N 0 0 285.318 3.820 10 0 CHAERN Cc1nnc(CN(c2ccc(C)cc2)C(C)C)n1C1CC1 ZINC000101550749 1122828838 /nfs/dbraw/zinc/82/88/38/1122828838.db2.gz BIWMPIIVMXAFMW-UHFFFAOYSA-N 0 0 284.407 3.645 10 0 CHAERN CSc1cccc(N(C)C(=O)CSC(C)(C)C)c1 ZINC000101837423 1122859131 /nfs/dbraw/zinc/85/91/31/1122859131.db2.gz ZBUFYUGJJUWEQT-UHFFFAOYSA-N 0 0 283.462 3.903 10 0 CHAERN CCc1onc(C)c1NC(=O)c1cccn1C1CCCC1 ZINC000182784658 1123176889 /nfs/dbraw/zinc/17/68/89/1123176889.db2.gz KZYAEDWCFBQIHY-UHFFFAOYSA-N 0 0 287.363 3.714 10 0 CHAERN CC1(C)CC[C@@H](CN2CCCC[C@@H]2c2nccs2)O1 ZINC000184672076 1123209424 /nfs/dbraw/zinc/20/94/24/1123209424.db2.gz VCFDEVJAGLMYRV-QWHCGFSZSA-N 0 0 280.437 3.628 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@@]3(C)CCC(=O)NC3)n2)C[C@@H](C)C1 ZINC000329600109 1123445264 /nfs/dbraw/zinc/44/52/64/1123445264.db2.gz PXYGMQKQZIKZAX-LGSVPQMISA-N 0 0 291.395 3.617 10 0 CHAERN Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C)c23)s1 ZINC000103129739 1123784026 /nfs/dbraw/zinc/78/40/26/1123784026.db2.gz WQFSZGOCYRLIGQ-UHFFFAOYSA-N 0 0 298.411 3.819 10 0 CHAERN Cc1oc2ccc(NC(=O)N[C@@H]3C[C@@H]3C)cc2c1C ZINC000186455092 1129633623 /nfs/dbraw/zinc/63/36/23/1129633623.db2.gz ZDZMOWTZYMCPMI-ISVAXAHUSA-N 0 0 258.321 3.580 10 0 CHAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1cccnc1Cl ZINC000103056900 1129694776 /nfs/dbraw/zinc/69/47/76/1129694776.db2.gz CJCKWFCUEACYKA-YPMHNXCESA-N 0 0 280.799 3.680 10 0 CHAERN O=C(OCC(F)F)c1cc2cc(Cl)ccc2o1 ZINC000103653930 1131943323 /nfs/dbraw/zinc/94/33/23/1131943323.db2.gz FBWXAXKMUWBPEP-UHFFFAOYSA-N 0 0 260.623 3.508 10 0 CHAERN Cc1oc(-c2ccsc2)nc1CC(=O)OCC(C)(C)C ZINC000103699812 1132276801 /nfs/dbraw/zinc/27/68/01/1132276801.db2.gz PRLTXHNDOLRCEO-UHFFFAOYSA-N 0 0 293.388 3.843 10 0 CHAERN CC(C)(C)c1nccc(Br)c1OC1CC1 ZINC000095723117 185020306 /nfs/dbraw/zinc/02/03/06/185020306.db2.gz FHXQAWOQDRTZGQ-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)(C)Oc1cc(Br)c(OC2CC2)cn1 ZINC000095725213 185021019 /nfs/dbraw/zinc/02/10/19/185021019.db2.gz ZVAWOTOUODJKLE-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN O=C1CCCNc2ccc(OCc3ccccc3)cc21 ZINC000095751264 185025645 /nfs/dbraw/zinc/02/56/45/185025645.db2.gz PATYBBVBQNYFMB-UHFFFAOYSA-N 0 0 267.328 3.654 10 0 CHAERN Clc1nc(NCc2cccnc2)cc(-c2ccccc2)n1 ZINC000082501855 178066227 /nfs/dbraw/zinc/06/62/27/178066227.db2.gz XCHGTINULSZFBI-UHFFFAOYSA-N 0 0 296.761 3.804 10 0 CHAERN Cc1c(Br)cnc(Br)c1Cl ZINC000095829896 185028704 /nfs/dbraw/zinc/02/87/04/185028704.db2.gz QTGZZZRTMBRPFJ-UHFFFAOYSA-N 0 0 285.366 3.568 10 0 CHAERN O=C1CCC[C@H](c2cc(-c3ccccc3)ccn2)C1 ZINC000095831370 185029378 /nfs/dbraw/zinc/02/93/78/185029378.db2.gz USOSLYUSDDXVJX-HNNXBMFYSA-N 0 0 251.329 3.975 10 0 CHAERN COc1ccc(-c2nc3ccc(Cl)nc3o2)cc1 ZINC000095835596 185029805 /nfs/dbraw/zinc/02/98/05/185029805.db2.gz TYFRVQWVBDOBLC-UHFFFAOYSA-N 0 0 260.680 3.552 10 0 CHAERN CCCNC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000095938600 185035287 /nfs/dbraw/zinc/03/52/87/185035287.db2.gz HFICIPCZFYUNPF-XQRVVYSFSA-N 0 0 258.148 3.533 10 0 CHAERN Cc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)c(C)c1 ZINC000082698308 178198083 /nfs/dbraw/zinc/19/80/83/178198083.db2.gz NCCOOEZMTCPHSM-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000082718600 178233597 /nfs/dbraw/zinc/23/35/97/178233597.db2.gz YYTUSUNHSLVBTO-QMMMGPOBSA-N 0 0 257.177 3.528 10 0 CHAERN CCc1cccc2c(C)cc(Br)nc12 ZINC000082788553 178293628 /nfs/dbraw/zinc/29/36/28/178293628.db2.gz LLKJJGYVYCUDPC-UHFFFAOYSA-N 0 0 250.139 3.868 10 0 CHAERN C[C@H](O)c1ccc(Br)c2ccccc21 ZINC000083165695 178347988 /nfs/dbraw/zinc/34/79/88/178347988.db2.gz RGSAPALBKFKSDP-QMMMGPOBSA-N 0 0 251.123 3.656 10 0 CHAERN Oc1cccc(NCc2cccc(Cl)c2F)c1 ZINC000083385642 178394679 /nfs/dbraw/zinc/39/46/79/178394679.db2.gz OHWUBGGVDAUWPQ-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN N[C@@H](c1nc2c(s1)CCC2)c1cc(Cl)ccc1Cl ZINC000096795253 185114280 /nfs/dbraw/zinc/11/42/80/185114280.db2.gz LNZHTNNOACEDKT-GFCCVEGCSA-N 0 0 299.226 3.987 10 0 CHAERN COc1ccc(Br)c2c(Cl)nccc12 ZINC000096850557 185116963 /nfs/dbraw/zinc/11/69/63/185116963.db2.gz OPRMBHTUZDGKCE-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN FC(F)(F)c1noc2cc(Br)ccc21 ZINC000096898104 185125789 /nfs/dbraw/zinc/12/57/89/185125789.db2.gz YKTCJWNDJNURQS-UHFFFAOYSA-N 0 0 266.016 3.609 10 0 CHAERN OCc1ccc(NCc2ccc3ccccc3c2)cc1 ZINC000083459600 178481342 /nfs/dbraw/zinc/48/13/42/178481342.db2.gz PNEZCBMJMDZNPF-UHFFFAOYSA-N 0 0 263.340 3.944 10 0 CHAERN CN(CCC1CC1)c1ccc(-c2ccc(F)cc2)nn1 ZINC000301808132 529876749 /nfs/dbraw/zinc/87/67/49/529876749.db2.gz ZAIGTSZGJPHXJV-UHFFFAOYSA-N 0 0 271.339 3.519 10 0 CHAERN CCOC(=O)c1c(Cl)nc2cc(F)ccc2c1Cl ZINC000085345736 179028331 /nfs/dbraw/zinc/02/83/31/179028331.db2.gz WDLUDKOJGNQIJN-UHFFFAOYSA-N 0 0 288.105 3.857 10 0 CHAERN Fc1ccc(C(F)(F)Br)c(F)c1F ZINC000085477489 179079363 /nfs/dbraw/zinc/07/93/63/179079363.db2.gz MAPGPYUCWDFONP-UHFFFAOYSA-N 0 0 260.987 3.548 10 0 CHAERN CC(C)(C)OC(=O)c1ccc(-c2ccc(O)cc2)c(N)c1 ZINC000085483165 179080565 /nfs/dbraw/zinc/08/05/65/179080565.db2.gz OKDPEWMGBLATNX-UHFFFAOYSA-N 0 0 285.343 3.597 10 0 CHAERN Cc1cc(OC(=O)c2ccccc2)nc2ccccc12 ZINC000098180489 185699003 /nfs/dbraw/zinc/69/90/03/185699003.db2.gz HWDFJBIKJILHJK-UHFFFAOYSA-N 0 0 263.296 3.762 10 0 CHAERN Nc1sccc1-c1nc2cc(F)ccc2n1C1CC1 ZINC000102938943 185799854 /nfs/dbraw/zinc/79/98/54/185799854.db2.gz FYFHOKPGBCVJTC-UHFFFAOYSA-N 0 0 273.336 3.821 10 0 CHAERN Nc1c(Cl)cc(Br)c2ccccc12 ZINC000086436949 179293028 /nfs/dbraw/zinc/29/30/28/179293028.db2.gz SMGQPSINQDUPQY-UHFFFAOYSA-N 0 0 256.530 3.838 10 0 CHAERN FC(F)(F)c1cc(-n2cnnc2Cl)ccc1Cl ZINC000103923618 185862538 /nfs/dbraw/zinc/86/25/38/185862538.db2.gz FWBFVDWZJKSIIY-UHFFFAOYSA-N 0 0 282.052 3.593 10 0 CHAERN CCOc1cccc2cc(C(C)(C)C)c(NC)nc21 ZINC000103926922 185862611 /nfs/dbraw/zinc/86/26/11/185862611.db2.gz JYFRCUHGNNABDZ-UHFFFAOYSA-N 0 0 258.365 3.973 10 0 CHAERN CCOc1cccc(Oc2cc(Cl)ccc2N)n1 ZINC000104114609 185897797 /nfs/dbraw/zinc/89/77/97/185897797.db2.gz PBOYOIASIGCQEQ-UHFFFAOYSA-N 0 0 264.712 3.508 10 0 CHAERN CCCC[C@@H](CC)CN(C)c1cccc(C(N)=S)c1 ZINC000104170162 185916109 /nfs/dbraw/zinc/91/61/09/185916109.db2.gz RYLRYIKGKHLJGA-CYBMUJFWSA-N 0 0 278.465 3.973 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1ncnc(Cl)c1C ZINC000104221379 185935475 /nfs/dbraw/zinc/93/54/75/185935475.db2.gz WUNNMJLCOQCGKP-WDEREUQCSA-N 0 0 253.777 3.819 10 0 CHAERN CCc1cc2c(nc(-c3ccc(F)cc3)nc2N)s1 ZINC000104365441 185985604 /nfs/dbraw/zinc/98/56/04/185985604.db2.gz NOUYSZVWWCXMSX-UHFFFAOYSA-N 0 0 273.336 3.642 10 0 CHAERN C[C@@H](Cc1nc2cc(Br)cnc2[nH]1)C(C)(C)C ZINC000104440475 186003330 /nfs/dbraw/zinc/00/33/30/186003330.db2.gz LPNZYYVQFBINHG-QMMMGPOBSA-N 0 0 296.212 3.945 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2scnc2C)c(Cl)c1 ZINC000104440888 186003441 /nfs/dbraw/zinc/00/34/41/186003441.db2.gz LIIKQCMHCAOLJJ-UHFFFAOYSA-N 0 0 294.807 3.944 10 0 CHAERN COc1ccc(F)cc1[C@H](O)C[C@@H](C)C(C)(C)C ZINC000104432838 186000546 /nfs/dbraw/zinc/00/05/46/186000546.db2.gz OKFWWUXHHXJFBL-ZWNOBZJWSA-N 0 0 254.345 3.940 10 0 CHAERN COc1ccc(Nc2nc(C)nc3ccccc32)cc1F ZINC000090548065 180001709 /nfs/dbraw/zinc/00/17/09/180001709.db2.gz PSMICHNTVHSBNC-UHFFFAOYSA-N 0 0 283.306 3.830 10 0 CHAERN CCC(CC)[C@H](C)Nc1ccc(C(N)=S)cc1 ZINC000104438472 186002013 /nfs/dbraw/zinc/00/20/13/186002013.db2.gz OMMNAEVRGZSFNQ-JTQLQIEISA-N 0 0 250.411 3.557 10 0 CHAERN CCC(CC)[C@@H](C)Nc1ccc(C(N)=S)cc1 ZINC000104438471 186002626 /nfs/dbraw/zinc/00/26/26/186002626.db2.gz OMMNAEVRGZSFNQ-SNVBAGLBSA-N 0 0 250.411 3.557 10 0 CHAERN O=Cc1ccccc1-c1ccc(Oc2cccnc2)nc1 ZINC000090669404 180020221 /nfs/dbraw/zinc/02/02/21/180020221.db2.gz KOTPMZUQHIJYBB-UHFFFAOYSA-N 0 0 276.295 3.748 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H](SC(F)(F)F)C1 ZINC000091252865 180114841 /nfs/dbraw/zinc/11/48/41/180114841.db2.gz SELSKIXNXXXBHH-QMMMGPOBSA-N 0 0 285.331 3.639 10 0 CHAERN Fc1ccccc1Nc1c(Cl)ncnc1Cl ZINC000091351590 180137882 /nfs/dbraw/zinc/13/78/82/180137882.db2.gz CMCOTUMBHPTHJN-UHFFFAOYSA-N 0 0 258.083 3.666 10 0 CHAERN Cc1c[nH]c(SC2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000091353258 180138374 /nfs/dbraw/zinc/13/83/74/180138374.db2.gz LOTAXQSGENPJJW-UHFFFAOYSA-N 0 0 296.436 3.711 10 0 CHAERN FC(F)(F)c1ccc2c(n1)CN(Cc1ccccc1)CC2 ZINC000091368560 180143044 /nfs/dbraw/zinc/14/30/44/180143044.db2.gz NYEBGBPLHYNMJI-UHFFFAOYSA-N 0 0 292.304 3.659 10 0 CHAERN C/C(I)=C/C1CCCCC1 ZINC000104837471 186028024 /nfs/dbraw/zinc/02/80/24/186028024.db2.gz XPACFBRIJNYSKW-FPLPWBNLSA-N 0 0 250.123 3.906 10 0 CHAERN CCNc1cc(C2CC2)nc(-c2cccc(F)c2)n1 ZINC000110910259 186331873 /nfs/dbraw/zinc/33/18/73/186331873.db2.gz VTEXJCOZERFXEA-UHFFFAOYSA-N 0 0 257.312 3.592 10 0 CHAERN Cc1ccc([C@@H](C)O)c(OCc2cccc(F)c2)c1 ZINC000110964323 186337665 /nfs/dbraw/zinc/33/76/65/186337665.db2.gz ZUDNBNLDDCBGAV-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000114879119 186646982 /nfs/dbraw/zinc/64/69/82/186646982.db2.gz NWWOTCODERDUTN-ZTFGCOKTSA-N 0 0 281.355 3.940 10 0 CHAERN O=C([O-])[C@@H](CCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000169805960 188665357 /nfs/dbraw/zinc/66/53/57/188665357.db2.gz MYTBLCSYYWKMOA-HNNXBMFYSA-N 0 0 295.810 3.774 10 0 CHAERN C[Si](C)(C)c1[nH]nc2cccc(OCc3ccccc3)c21 ZINC000211466161 189687461 /nfs/dbraw/zinc/68/74/61/189687461.db2.gz FMLXMMHVFMQEGZ-UHFFFAOYSA-N 0 0 296.446 3.687 10 0 CHAERN Cn1nnc(CSc2ccc(F)cc2)c1-c1ccccc1 ZINC000334162829 206123991 /nfs/dbraw/zinc/12/39/91/206123991.db2.gz SHCPKRFGHZBUFO-UHFFFAOYSA-N 0 0 299.374 3.914 10 0 CHAERN CC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)s1 ZINC000257351951 190037851 /nfs/dbraw/zinc/03/78/51/190037851.db2.gz ICDKFXHOJNWDKQ-UHFFFAOYSA-N 0 0 268.260 3.509 10 0 CHAERN Cc1nnc(NCc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000181496636 261899016 /nfs/dbraw/zinc/89/90/16/261899016.db2.gz HDJKEDQNWALIBW-UHFFFAOYSA-N 0 0 291.660 3.662 10 0 CHAERN CC(C)CC[C@@H](C)Nc1ccccc1-n1cncn1 ZINC000037042134 184538481 /nfs/dbraw/zinc/53/84/81/184538481.db2.gz NHWHIBIXIJFJNF-CYBMUJFWSA-N 0 0 258.369 3.504 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)Br)c(C)c1 ZINC000041688135 184553345 /nfs/dbraw/zinc/55/33/45/184553345.db2.gz XYJDCUWTSUEBCP-LLVKDONJSA-N 0 0 298.224 3.654 10 0 CHAERN COc1ccc(-c2ccc(Br)cn2)cc1 ZINC000039402280 184547021 /nfs/dbraw/zinc/54/70/21/184547021.db2.gz RNHJUTIKTVYRAJ-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN C[C@H](OC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccco1 ZINC000095089387 184940074 /nfs/dbraw/zinc/94/00/74/184940074.db2.gz DCPVDUXPIDLJOW-QWHCGFSZSA-N 0 0 295.379 3.757 10 0 CHAERN C[C@H]1C[C@H](C)CN(c2nc3ccccc3cc2C=O)C1 ZINC000020303901 134726035 /nfs/dbraw/zinc/72/60/35/134726035.db2.gz KEQZEAQKZJLTBB-STQMWFEESA-N 0 0 268.360 3.530 10 0 CHAERN CC[C@H]1CCCCN1c1ccc([C@@H](C)O)cc1F ZINC000035631623 134800551 /nfs/dbraw/zinc/80/05/51/134800551.db2.gz UFQCQKCKQSKAPC-YPMHNXCESA-N 0 0 251.345 3.648 10 0 CHAERN C[C@H]1c2ccsc2CCN1c1cccc(F)c1N ZINC000042740570 134896304 /nfs/dbraw/zinc/89/63/04/134896304.db2.gz VBSPEKXRHOOXAE-VIFPVBQESA-N 0 0 262.353 3.593 10 0 CHAERN COc1ccccc1COC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000001866887 169761582 /nfs/dbraw/zinc/76/15/82/169761582.db2.gz ISNDXSGYKWDBBH-HOCLYGCPSA-N 0 0 288.387 3.977 10 0 CHAERN CCCn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000001939601 169764433 /nfs/dbraw/zinc/76/44/33/169764433.db2.gz RFYPJSMGDHCOSI-UHFFFAOYSA-N 0 0 288.347 3.674 10 0 CHAERN C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cccc2)C1 ZINC000005055310 170061681 /nfs/dbraw/zinc/06/16/81/170061681.db2.gz IXRUOXJERBPCSM-AEFFLSMTSA-N 0 0 296.414 3.530 10 0 CHAERN CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000005052709 170061871 /nfs/dbraw/zinc/06/18/71/170061871.db2.gz UOJZWVFKNRFOEY-OAHLLOKOSA-N 0 0 269.369 3.887 10 0 CHAERN Cc1ccccc1-c1nc(-c2ccc(N(C)C)cc2)n[nH]1 ZINC000005161352 170072260 /nfs/dbraw/zinc/07/22/60/170072260.db2.gz BGPXWMCXAFYSQY-UHFFFAOYSA-N 0 0 278.359 3.513 10 0 CHAERN CCO[C@H](CCn1nnc2ccccc21)c1ccccc1 ZINC000005335405 170087077 /nfs/dbraw/zinc/08/70/77/170087077.db2.gz UEOFJTZQQXGWAY-QGZVFWFLSA-N 0 0 281.359 3.599 10 0 CHAERN CCCCc1ccc(Cn2nnc3ccccc32)cc1 ZINC000005468000 170102126 /nfs/dbraw/zinc/10/21/26/170102126.db2.gz UTMZIGPPAWGMPM-UHFFFAOYSA-N 0 0 265.360 3.822 10 0 CHAERN Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005751469 170137022 /nfs/dbraw/zinc/13/70/22/170137022.db2.gz AZZFGWWOGRBVOV-UHFFFAOYSA-N 0 0 266.300 3.870 10 0 in-vivo CHAERN Clc1cccc(Nc2nc(Cl)nc(Cl)n2)c1 ZINC000005785092 170140516 /nfs/dbraw/zinc/14/05/16/170140516.db2.gz RSHGXJKVPOGSSV-UHFFFAOYSA-N 0 0 275.526 3.575 10 0 CHAERN Cc1cccnc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000005936190 170158200 /nfs/dbraw/zinc/15/82/00/170158200.db2.gz SWGAIGPXLJFWCT-BQYQJAHWSA-N 0 0 272.735 3.695 10 0 CHAERN Cc1cccc2c1SN(Cc1ccccc1)[S@]2=O ZINC000006523185 170210034 /nfs/dbraw/zinc/21/00/34/170210034.db2.gz QVKKVXISEUAWME-GOSISDBHSA-N 0 0 275.398 3.541 10 0 CHAERN O=C([O-])[C@@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000006582655 170215615 /nfs/dbraw/zinc/21/56/15/170215615.db2.gz HWRRSDLNMJQUGH-GOSISDBHSA-N 0 0 295.382 3.965 10 0 CHAERN CCNc1nc(-c2ccc(F)cc2)nc2ccccc21 ZINC000006775202 170242680 /nfs/dbraw/zinc/24/26/80/170242680.db2.gz INLDEEGHHDUVRE-UHFFFAOYSA-N 0 0 267.307 3.868 10 0 CHAERN Cc1ccc(O)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000007264009 170274547 /nfs/dbraw/zinc/27/45/47/170274547.db2.gz QVSCQFYMYOUHML-MRXNPFEDSA-N 0 0 281.355 3.508 10 0 CHAERN CCCCCC(=O)NC(=S)Nc1c(C)cccc1CC ZINC000007446036 170285446 /nfs/dbraw/zinc/28/54/46/170285446.db2.gz DXPFIAZFBBRBHM-UHFFFAOYSA-N 0 0 292.448 3.951 10 0 CHAERN CCc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1 ZINC000007587665 170291994 /nfs/dbraw/zinc/29/19/94/170291994.db2.gz RFLAVISTOWHMOZ-CQSZACIVSA-N 0 0 294.398 3.639 10 0 CHAERN O=C1c2ccccc2[C@H]2Nc3cccc4cccc(c43)N12 ZINC000007654860 170296234 /nfs/dbraw/zinc/29/62/34/170296234.db2.gz UKHJAICDZISVRB-KRWDZBQOSA-N 0 0 272.307 3.924 10 0 CHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCCCC1 ZINC000007754297 170300908 /nfs/dbraw/zinc/30/09/08/170300908.db2.gz MJAACGUECUDUSI-UHFFFAOYSA-N 0 0 292.429 3.888 10 0 CHAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 ZINC000007885401 170306217 /nfs/dbraw/zinc/30/62/17/170306217.db2.gz RLPDVMXOEOEZFZ-BZNIZROVSA-N 0 0 284.359 3.953 10 0 CHAERN CCOC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000008227971 170326101 /nfs/dbraw/zinc/32/61/01/170326101.db2.gz HMSYSKHFSRSHGR-UHFFFAOYSA-N 0 0 283.327 3.794 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000008276607 170328622 /nfs/dbraw/zinc/32/86/22/170328622.db2.gz SSCOBIJQPAFDBT-AGEWCLKBSA-N 0 0 257.377 3.703 10 0 CHAERN COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000008496506 170338203 /nfs/dbraw/zinc/33/82/03/170338203.db2.gz REDQSIOVHYXDRM-OAHLLOKOSA-N 0 0 286.762 3.787 10 0 CHAERN O=C(CNc1ccncc1)c1ccc(Cl)cc1Cl ZINC000008699363 170346460 /nfs/dbraw/zinc/34/64/60/170346460.db2.gz VBVOSIGQBGUBCC-UHFFFAOYSA-N 0 0 281.142 3.683 10 0 CHAERN CCOc1cccc2cc(C(=O)NCc3ccccc3)oc21 ZINC000008960894 170359981 /nfs/dbraw/zinc/35/99/81/170359981.db2.gz JZHDDMGWELXMOL-UHFFFAOYSA-N 0 0 295.338 3.762 10 0 CHAERN CSc1ccc(CC(=O)Nc2nc(C)c(C)s2)cc1 ZINC000010590868 170409936 /nfs/dbraw/zinc/40/99/36/170409936.db2.gz GOQDOSUGXUCTMJ-UHFFFAOYSA-N 0 0 292.429 3.663 10 0 CHAERN NC(=S)c1cc(Cl)ccc1OCc1ccccc1 ZINC000011951243 170461354 /nfs/dbraw/zinc/46/13/54/170461354.db2.gz LSTNGMCYYJQXBL-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN CCCCC(=O)N1CCc2cc3cccc(Cl)c3nc21 ZINC000012032244 170467562 /nfs/dbraw/zinc/46/75/62/170467562.db2.gz PMHFHFLCULOIFE-UHFFFAOYSA-N 0 0 288.778 3.968 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CCCC[C@@]43C)[C@@H]1CCC2=O ZINC000013470378 170552852 /nfs/dbraw/zinc/55/28/52/170552852.db2.gz UPJODXGWEXHPEK-DQXCSHPPSA-N 0 0 288.431 3.879 10 0 CHAERN CCNC(=O)NC1CCCCCCCCCCC1 ZINC000013493661 170556803 /nfs/dbraw/zinc/55/68/03/170556803.db2.gz YCFSEXPTCSCLMA-UHFFFAOYSA-N 0 0 254.418 3.979 10 0 CHAERN FC(F)(F)c1cccc(NC2N=NC(=S)S2)c1 ZINC000015015126 170654192 /nfs/dbraw/zinc/65/41/92/170654192.db2.gz CBLLVFZFGFPFDH-UHFFFAOYSA-N 0 0 277.296 3.589 10 0 CHAERN O=C(Nc1cccc2c1NCCC2)c1cc(F)cc(F)c1 ZINC000019263997 170763470 /nfs/dbraw/zinc/76/34/70/170763470.db2.gz LOKJGJMUBQTTNF-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OCCC(=O)Nc1cccc(N)c1 ZINC000019278449 170770463 /nfs/dbraw/zinc/77/04/63/170770463.db2.gz BNCPUUVAOGMYJQ-BBRMVZONSA-N 0 0 290.407 3.583 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2C[C@H](C)Nc3ccccc32)cc1 ZINC000019472518 170805470 /nfs/dbraw/zinc/80/54/70/170805470.db2.gz BPEARTZMFMFFGF-XJKSGUPXSA-N 0 0 280.371 3.921 10 0 CHAERN COC(=O)c1c(C)nc(-c2cc(C)ccc2C)[nH]c1=S ZINC000019504195 170816662 /nfs/dbraw/zinc/81/66/62/170816662.db2.gz AONXSYGRWNUCEN-UHFFFAOYSA-N 0 0 288.372 3.518 10 0 CHAERN NC(=S)Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000019805436 170874466 /nfs/dbraw/zinc/87/44/66/170874466.db2.gz LPDVQCZNDODJGN-UHFFFAOYSA-N 0 0 291.803 3.748 10 0 CHAERN NC(=S)c1cccc(COc2cccc(Cl)c2)c1 ZINC000019806140 170875060 /nfs/dbraw/zinc/87/50/60/170875060.db2.gz IASJYCVBZMVMHS-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000019845985 170894407 /nfs/dbraw/zinc/89/44/07/170894407.db2.gz YTZVOUAEDFDWTF-GFCCVEGCSA-N 0 0 286.400 3.697 10 0 CHAERN COc1ccc([C@H](C)Nc2ccccc2)c(OC)c1 ZINC000019879609 170907770 /nfs/dbraw/zinc/90/77/70/170907770.db2.gz NUGIOOLJDWWFOL-LBPRGKRZSA-N 0 0 257.333 3.877 10 0 CHAERN Oc1ccc([C@@H](Nc2cccnc2)c2ccccc2)cc1 ZINC000019884298 170909171 /nfs/dbraw/zinc/90/91/71/170909171.db2.gz CNNVMYULXYSWDL-SFHVURJKSA-N 0 0 276.339 3.989 10 0 CHAERN CC[C@H](Nc1ccc(NC(C)=O)cc1)c1ccc(O)cc1 ZINC000019885883 170909598 /nfs/dbraw/zinc/90/95/98/170909598.db2.gz PKYPZBKMUPXZOV-KRWDZBQOSA-N 0 0 284.359 3.914 10 0 CHAERN CSc1cccc(N[C@@H]2COc3cc(O)ccc32)c1 ZINC000019900653 170912615 /nfs/dbraw/zinc/91/26/15/170912615.db2.gz RLDORAAXXYRCSN-CQSZACIVSA-N 0 0 273.357 3.660 10 0 CHAERN Cc1ccc(OC/C=C/Cl)c(Br)c1 ZINC000020077757 170985024 /nfs/dbraw/zinc/98/50/24/170985024.db2.gz WPMCKVILXKRYMD-GORDUTHDSA-N 0 0 261.546 3.889 10 0 CHAERN CNC(=O)c1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000020124676 171007108 /nfs/dbraw/zinc/00/71/08/171007108.db2.gz ZUZXZWYOTHJHEC-OAHLLOKOSA-N 0 0 298.411 3.695 10 0 CHAERN COc1ccc(CNc2ccc3[nH]ccc3c2)cc1 ZINC000020132244 171020512 /nfs/dbraw/zinc/02/05/12/171020512.db2.gz HFJGLKGJMZEOOS-UHFFFAOYSA-N 0 0 252.317 3.789 10 0 CHAERN Nc1cc(F)ccc1NCCc1c[nH]c2ccc(F)cc12 ZINC000020135535 171023267 /nfs/dbraw/zinc/02/32/67/171023267.db2.gz KREDNKJJKUAWEL-UHFFFAOYSA-N 0 0 287.313 3.683 10 0 CHAERN CCCCCCn1c(C)nc2sc(C)c(C)c2c1=O ZINC000020157984 171039592 /nfs/dbraw/zinc/03/95/92/171039592.db2.gz ZRISWYSWAOBHFP-UHFFFAOYSA-N 0 0 278.421 3.964 10 0 CHAERN CCc1cc2c(nc(C)n(Cc3ccc(C)cc3)c2=O)s1 ZINC000020158407 171039843 /nfs/dbraw/zinc/03/98/43/171039843.db2.gz PGXJWVLIWZDSPB-UHFFFAOYSA-N 0 0 298.411 3.686 10 0 CHAERN Cn1c(C=O)ccc1-c1cccc(C(F)(F)F)c1 ZINC000020272405 171127304 /nfs/dbraw/zinc/12/73/04/171127304.db2.gz KVBFEWULTFSKJY-UHFFFAOYSA-N 0 0 253.223 3.523 10 0 CHAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000020313925 171145590 /nfs/dbraw/zinc/14/55/90/171145590.db2.gz XVZJLKAXYSBQDO-QMMMGPOBSA-N 0 0 289.206 3.709 10 0 CHAERN CC(C)CNC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000020313779 171145611 /nfs/dbraw/zinc/14/56/11/171145611.db2.gz FYUZMRDQHXPFKF-SECBINFHSA-N 0 0 289.206 3.566 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1cccc(C(C)C)c1 ZINC000020364611 171163002 /nfs/dbraw/zinc/16/30/02/171163002.db2.gz VZDPBMOCWAXCDA-ZDUSSCGKSA-N 0 0 262.397 3.527 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020365049 171163792 /nfs/dbraw/zinc/16/37/92/171163792.db2.gz DXIIQZOUDIPMGF-NSHDSACASA-N 0 0 280.437 3.514 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366400 171165283 /nfs/dbraw/zinc/16/52/83/171165283.db2.gz MRZDUEKTFHPVHV-VIFPVBQESA-N 0 0 289.206 3.710 10 0 CHAERN CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020367552 171165891 /nfs/dbraw/zinc/16/58/91/171165891.db2.gz WRGQBEIGZDXEGH-NWDGAFQWSA-N 0 0 280.437 3.514 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020368119 171166428 /nfs/dbraw/zinc/16/64/28/171166428.db2.gz OEFYRMIZUIFMHP-SECBINFHSA-N 0 0 289.206 3.710 10 0 CHAERN N[C@@H](c1cc2ccccc2o1)c1ccc(F)c(F)c1 ZINC000020369102 171167126 /nfs/dbraw/zinc/16/71/26/171167126.db2.gz GQHYAMJGLNRFTH-OAHLLOKOSA-N 0 0 259.255 3.759 10 0 CHAERN O=C(c1cc2ccccc2o1)c1c(F)cccc1F ZINC000020369322 171167137 /nfs/dbraw/zinc/16/71/37/171167137.db2.gz NYPKFPCGDYTBNU-UHFFFAOYSA-N 0 0 258.223 3.942 10 0 CHAERN COc1ccc([C@@H](N)c2cc3ccccc3o2)cc1F ZINC000020369196 171167208 /nfs/dbraw/zinc/16/72/08/171167208.db2.gz JCHQUUUNLJRPEH-MRXNPFEDSA-N 0 0 271.291 3.629 10 0 CHAERN Cc1ccc(C(C)C)c(OCc2csc(N)n2)c1 ZINC000020393090 171181137 /nfs/dbraw/zinc/18/11/37/171181137.db2.gz UPDCALWTIYILSP-UHFFFAOYSA-N 0 0 262.378 3.736 10 0 CHAERN Nc1ccc2nc(-c3cc4c(s3)CCC4)oc2c1 ZINC000020424008 171190959 /nfs/dbraw/zinc/19/09/59/171190959.db2.gz UERNXPKBEOKTFQ-UHFFFAOYSA-N 0 0 256.330 3.627 10 0 CHAERN CN(c1cccc(Cl)c1CO)C1CCCCC1 ZINC000020434986 171200795 /nfs/dbraw/zinc/20/07/95/171200795.db2.gz ABUKCSCJFRMDCN-UHFFFAOYSA-N 0 0 253.773 3.601 10 0 CHAERN COc1ccccc1Oc1cccc(Cl)c1CO ZINC000020435405 171201139 /nfs/dbraw/zinc/20/11/39/171201139.db2.gz BQQVVJBPUCADLN-UHFFFAOYSA-N 0 0 264.708 3.633 10 0 CHAERN OCc1ccc2c(ccn2Cc2ccccc2Cl)c1 ZINC000020495210 171226921 /nfs/dbraw/zinc/22/69/21/171226921.db2.gz RRACTRIIWZHTTE-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN O=Cc1c(Cl)cccc1OCCc1ccccc1 ZINC000020517210 171232842 /nfs/dbraw/zinc/23/28/42/171232842.db2.gz NXLDNLAJFBRIAS-UHFFFAOYSA-N 0 0 260.720 3.774 10 0 CHAERN COC(C)(C)C[C@H](C)Nc1cccc2ncccc21 ZINC000020524278 171237387 /nfs/dbraw/zinc/23/73/87/171237387.db2.gz ZCVKGFFITIFCRE-LBPRGKRZSA-N 0 0 258.365 3.850 10 0 CHAERN Cc1cnn(C2CCC(c3ccccc3)CC2)c1N ZINC000020579092 171256716 /nfs/dbraw/zinc/25/67/16/171256716.db2.gz HCDILKSPKIHIDF-UHFFFAOYSA-N 0 0 255.365 3.673 10 0 CHAERN Cc1cnn([C@@H](C)c2cc(Cl)ccc2Cl)c1N ZINC000020579001 171256785 /nfs/dbraw/zinc/25/67/85/171256785.db2.gz KDTCORJHNGMOFQ-QMMMGPOBSA-N 0 0 270.163 3.690 10 0 CHAERN Cc1cnn([C@@H](C)c2ccc(Cl)c(Cl)c2)c1N ZINC000020578601 171256901 /nfs/dbraw/zinc/25/69/01/171256901.db2.gz QTEWFTWKMKJTOI-QMMMGPOBSA-N 0 0 270.163 3.690 10 0 CHAERN C[C@H](n1cn[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020583342 171257997 /nfs/dbraw/zinc/25/79/97/171257997.db2.gz LSOWKXUGPBQFFK-BRZBPJHZSA-N 0 0 263.410 3.718 10 0 CHAERN CCCc1n[nH]c(=S)n1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020590428 171260681 /nfs/dbraw/zinc/26/06/81/171260681.db2.gz DWLJMENHNQYHGM-OUAUKWLOSA-N 0 0 253.415 3.890 10 0 CHAERN N[C@@H](c1cc2cc(Cl)ccc2o1)c1ccccn1 ZINC000020592857 171262403 /nfs/dbraw/zinc/26/24/03/171262403.db2.gz HKNHBVBMCHFSQE-CQSZACIVSA-N 0 0 258.708 3.529 10 0 CHAERN Cc1cc([C@H](N)c2oc3ccccc3c2C)c(C)o1 ZINC000020592889 171262591 /nfs/dbraw/zinc/26/25/91/171262591.db2.gz BZMURURCRSAJMK-HNNXBMFYSA-N 0 0 255.317 3.999 10 0 CHAERN CCCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 ZINC000020983603 171282989 /nfs/dbraw/zinc/28/29/89/171282989.db2.gz YRKOPCFFVVPUJP-UHFFFAOYSA-N 0 0 285.343 3.742 10 0 CHAERN CCCCCC(=O)Nc1ccc(OC)cc1NC(=O)CC ZINC000021003946 171284830 /nfs/dbraw/zinc/28/48/30/171284830.db2.gz XUUNWOKOGREUEP-UHFFFAOYSA-N 0 0 292.379 3.563 10 0 CHAERN Cc1c(Cl)cc(C(=O)N2CCCCCC2)c(F)c1F ZINC000021266623 171300460 /nfs/dbraw/zinc/30/04/60/171300460.db2.gz UCZFHKVEEXGILS-UHFFFAOYSA-N 0 0 287.737 3.943 10 0 CHAERN COc1ccccc1NC(=O)Nc1ccc(Cl)cc1N ZINC000021954391 171340938 /nfs/dbraw/zinc/34/09/38/171340938.db2.gz RXICEETUYUSPOD-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)c(C)c1 ZINC000021962233 171342692 /nfs/dbraw/zinc/34/26/92/171342692.db2.gz MVPBHIGJVJDWAX-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12 ZINC000021984511 171345169 /nfs/dbraw/zinc/34/51/69/171345169.db2.gz BEXXCWDIWBCVFX-MRXNPFEDSA-N 0 0 279.339 3.545 10 0 CHAERN O=C1c2ccc(F)cc2C[C@@H]1Cc1ccc(F)cc1 ZINC000021989883 171346442 /nfs/dbraw/zinc/34/64/42/171346442.db2.gz WDYSYBGYFHZJAI-LBPRGKRZSA-N 0 0 258.267 3.563 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)Nc1ccccc1F ZINC000022148666 171357666 /nfs/dbraw/zinc/35/76/66/171357666.db2.gz ZYRQFDCTRXUGDO-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN O=Cc1c(Sc2ccc(F)cc2F)nc2sccn12 ZINC000022157235 171362918 /nfs/dbraw/zinc/36/29/18/171362918.db2.gz BNTIFSQQMIIXDP-UHFFFAOYSA-N 0 0 296.323 3.638 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1nc2sccn2c1C=O ZINC000022158704 171363363 /nfs/dbraw/zinc/36/33/63/171363363.db2.gz OVAJMECNFOOYPG-JQWIXIFHSA-N 0 0 278.377 3.556 10 0 CHAERN Cc1ccc(C)c([C@H](C)NC(=O)c2ccnc(Cl)c2)c1 ZINC000024961954 171444450 /nfs/dbraw/zinc/44/44/50/171444450.db2.gz LKYJYVKUOGGGKP-LBPRGKRZSA-N 0 0 288.778 3.843 10 0 CHAERN C[C@@H](NC(=O)c1cc(Cl)ccn1)c1ccc(F)c(F)c1 ZINC000025129611 171449638 /nfs/dbraw/zinc/44/96/38/171449638.db2.gz KPVCBVXNSSRCKJ-MRVPVSSYSA-N 0 0 296.704 3.504 10 0 CHAERN Nc1nc(-c2ccccc2)ncc1-c1ccc(F)cc1 ZINC000026465819 171485689 /nfs/dbraw/zinc/48/56/89/171485689.db2.gz YRERPCCFOVQPFS-UHFFFAOYSA-N 0 0 265.291 3.532 10 0 CHAERN c1ccc(Nc2nnc3ccc4ccccc4n32)cc1 ZINC000026479242 171486738 /nfs/dbraw/zinc/48/67/38/171486738.db2.gz SAZMNXHPRSYQJY-UHFFFAOYSA-N 0 0 260.300 3.626 10 0 CHAERN S=C1Nc2ccccc2C[C@H](c2ccccc2)N1 ZINC000027329163 171513703 /nfs/dbraw/zinc/51/37/03/171513703.db2.gz NSSYEKVPXHGNQC-CQSZACIVSA-N 0 0 254.358 3.682 10 0 CHAERN CCCCC[C@@]1(C)C[C@@H](O)c2ccc(OC)cc2O1 ZINC000027551782 171520503 /nfs/dbraw/zinc/52/05/03/171520503.db2.gz IBHRUFHOZGMTJR-ZBFHGGJFSA-N 0 0 264.365 3.850 10 0 CHAERN N=C(Nc1nsc2ccccc21)c1ccccc1 ZINC000028712981 171571951 /nfs/dbraw/zinc/57/19/51/171571951.db2.gz TXSDJKIBJLSCTF-UHFFFAOYSA-N 0 0 253.330 3.734 10 0 CHAERN COC(=O)Nc1cn2cc(Sc3ccccc3)ccc2n1 ZINC000029306457 171592673 /nfs/dbraw/zinc/59/26/73/171592673.db2.gz AZVVTQGWPFAASW-UHFFFAOYSA-N 0 0 299.355 3.664 10 0 CHAERN S=C1N=NC(c2ccc(Cl)cc2Cl)S1 ZINC000030714620 171622140 /nfs/dbraw/zinc/62/21/40/171622140.db2.gz LRPFZDAHTZZHNF-UHFFFAOYSA-N 0 0 263.174 3.801 10 0 CHAERN COc1ccc(-c2ccc(Cl)c(N)c2)cc1OC ZINC000032003641 171683248 /nfs/dbraw/zinc/68/32/48/171683248.db2.gz SHNDWTXFDOGXEQ-UHFFFAOYSA-N 0 0 263.724 3.606 10 0 CHAERN COc1ccc(-c2ccc(Cl)c(N)c2)c(OC)c1OC ZINC000032004282 171683530 /nfs/dbraw/zinc/68/35/30/171683530.db2.gz KMMDATGCUOXFOL-UHFFFAOYSA-N 0 0 293.750 3.615 10 0 CHAERN Cc1nnc(N[C@@H]2CCCC[C@H]2C)c2ccccc12 ZINC000032830749 171754348 /nfs/dbraw/zinc/75/43/48/171754348.db2.gz RWEBBPBLGCZZII-IAQYHMDHSA-N 0 0 255.365 3.929 10 0 CHAERN CC(C)CCNC(=O)c1ccc(-c2cccnc2)cc1 ZINC000033282193 171776697 /nfs/dbraw/zinc/77/66/97/171776697.db2.gz FRLSORIUDXZXPH-UHFFFAOYSA-N 0 0 268.360 3.525 10 0 CHAERN C[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1ccnc1 ZINC000033637222 171816277 /nfs/dbraw/zinc/81/62/77/171816277.db2.gz SFMBWOWMCGHHQM-QMMMGPOBSA-N 0 0 269.131 3.634 10 0 CHAERN Cc1ccc2c(c1)/C(=C\c1ccccc1F)C(=O)N2 ZINC000033678980 171817428 /nfs/dbraw/zinc/81/74/28/171817428.db2.gz RDQMWTVUMTXRLF-UKTHLTGXSA-N 0 0 253.276 3.627 10 0 CHAERN OC[C@H](N[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000034576559 171844908 /nfs/dbraw/zinc/84/49/08/171844908.db2.gz JLIRBUBWOCOSNE-LSDHHAIUSA-N 0 0 295.304 3.613 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1F)C(=O)c1ccc(F)c(F)c1 ZINC000034980946 171913762 /nfs/dbraw/zinc/91/37/62/171913762.db2.gz PSHIGBYEPGBUIN-MRVPVSSYSA-N 0 0 298.235 3.893 10 0 CHAERN NC(=O)c1ccc(N[C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035054658 171957185 /nfs/dbraw/zinc/95/71/85/171957185.db2.gz BLMGJAGQNAWPSM-XPKDYRNWSA-N 0 0 272.392 3.556 10 0 CHAERN Cc1nnc(N[C@@H](C)c2ccncc2)c2ccccc12 ZINC000035122327 171992866 /nfs/dbraw/zinc/99/28/66/171992866.db2.gz BTFPQHACTRDCJV-NSHDSACASA-N 0 0 264.332 3.506 10 0 CHAERN C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccco1 ZINC000035137107 172003774 /nfs/dbraw/zinc/00/37/74/172003774.db2.gz SPDRYVOWRRIALN-SECBINFHSA-N 0 0 279.723 3.513 10 0 CHAERN C[C@H](NCc1ccc(F)cc1Cl)c1ccco1 ZINC000035142488 172009315 /nfs/dbraw/zinc/00/93/15/172009315.db2.gz PKZSPNTWMVRJLT-VIFPVBQESA-N 0 0 253.704 3.923 10 0 CHAERN Cc1cc(NC[C@H]2CCCCO2)ccc1Br ZINC000035150795 172013538 /nfs/dbraw/zinc/01/35/38/172013538.db2.gz UDKCOCUPQKPIFC-GFCCVEGCSA-N 0 0 284.197 3.739 10 0 CHAERN CC(C)c1ccccc1OCc1nnsc1Cl ZINC000035163637 172024615 /nfs/dbraw/zinc/02/46/15/172024615.db2.gz XOSAACSEBVKIOI-UHFFFAOYSA-N 0 0 268.769 3.894 10 0 CHAERN Cc1ccc(OCCn2cnc3ccccc32)cc1C ZINC000035181580 172035499 /nfs/dbraw/zinc/03/54/99/172035499.db2.gz YHBCFQLRHGWAAN-UHFFFAOYSA-N 0 0 266.344 3.732 10 0 CHAERN O=C1CCC[C@H]1Sc1ccc(Br)cc1 ZINC000035182782 172035956 /nfs/dbraw/zinc/03/59/56/172035956.db2.gz PLNQWBZUSLYZNZ-LLVKDONJSA-N 0 0 271.179 3.663 10 0 CHAERN CC[C@@H](C)SCCOc1ccccc1C(C)=O ZINC000035182635 172035959 /nfs/dbraw/zinc/03/59/59/172035959.db2.gz NRVMNKGPVKIORX-LLVKDONJSA-N 0 0 252.379 3.800 10 0 CHAERN CC[C@H](C)SCc1cc(C(C)=O)ccc1OC ZINC000035182594 172036065 /nfs/dbraw/zinc/03/60/65/172036065.db2.gz DUVDYUKSDMLSCN-JTQLQIEISA-N 0 0 252.379 3.930 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2ccccc2)cc1C ZINC000035183907 172037325 /nfs/dbraw/zinc/03/73/25/172037325.db2.gz OIFPGHMLJPBYJW-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN CCn1c(C)cc(C(=O)COc2ccc(F)cc2)c1C ZINC000035183819 172037379 /nfs/dbraw/zinc/03/73/79/172037379.db2.gz MVDQFFABLZPYGN-UHFFFAOYSA-N 0 0 275.323 3.526 10 0 CHAERN Cc1ccc(C(=O)COc2cccc(C)c2C)cc1 ZINC000035184363 172038221 /nfs/dbraw/zinc/03/82/21/172038221.db2.gz NEZGPDPRXCZJCR-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN COC(=O)[C@@H](N[C@@H](CC(C)C)c1ccccc1)C(C)C ZINC000035185740 172040120 /nfs/dbraw/zinc/04/01/20/172040120.db2.gz WBZTZRRWXUCDDM-HOTGVXAUSA-N 0 0 277.408 3.561 10 0 CHAERN O=C(c1cc(Cl)ccc1O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035219401 172059817 /nfs/dbraw/zinc/05/98/17/172059817.db2.gz YHHYTTGHPHROFN-RISCZKNCSA-N 0 0 293.794 3.840 10 0 CHAERN Cc1nc2ccccc2n1CC(=O)c1ccc(F)cc1F ZINC000035230330 172071045 /nfs/dbraw/zinc/07/10/45/172071045.db2.gz AWZNNIHIKXCGBU-UHFFFAOYSA-N 0 0 286.281 3.506 10 0 CHAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1ccco1 ZINC000035238124 172076396 /nfs/dbraw/zinc/07/63/96/172076396.db2.gz WBDQPNZHNCNACD-MRVPVSSYSA-N 0 0 256.227 3.867 10 0 CHAERN Cc1nc(CN[C@@H](C)c2cc(F)ccc2F)cs1 ZINC000035256259 172085958 /nfs/dbraw/zinc/08/59/58/172085958.db2.gz SWFOTZUPEALXRB-QMMMGPOBSA-N 0 0 268.332 3.581 10 0 CHAERN Cc1c(N)cccc1OCc1cccc(Br)c1 ZINC000035283183 172101311 /nfs/dbraw/zinc/10/13/11/172101311.db2.gz XURPEBDFXAGCSH-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Cc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1N ZINC000035283772 172102194 /nfs/dbraw/zinc/10/21/94/172102194.db2.gz XIPYSKUBWKMRQM-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035284561 172102830 /nfs/dbraw/zinc/10/28/30/172102830.db2.gz SHVDQFOSRCLSPP-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN COC(=O)c1nc(-c2ccc(Cl)cc2)[nH]c1C(C)C ZINC000035320721 172123819 /nfs/dbraw/zinc/12/38/19/172123819.db2.gz DIUAWWXIEIPVCH-UHFFFAOYSA-N 0 0 278.739 3.640 10 0 CHAERN COC(=O)c1nc(-c2ccccc2Cl)[nH]c1C(C)C ZINC000035320742 172124154 /nfs/dbraw/zinc/12/41/54/172124154.db2.gz YYWRMFWXZQHUKQ-UHFFFAOYSA-N 0 0 278.739 3.640 10 0 CHAERN Nc1ccc(Oc2ccc(F)cc2)c2cccnc12 ZINC000035340895 172133186 /nfs/dbraw/zinc/13/31/86/172133186.db2.gz ONGMWXZMHQEHCZ-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1ccc(F)c(F)c1 ZINC000035368774 172160419 /nfs/dbraw/zinc/16/04/19/172160419.db2.gz CMWXZTHJEUTJQH-UHFFFAOYSA-N 0 0 264.296 3.746 10 0 CHAERN CCc1ccc(C(=O)c2ccc(Br)o2)s1 ZINC000035369017 172160873 /nfs/dbraw/zinc/16/08/73/172160873.db2.gz FZLYPSOOTJCSHN-UHFFFAOYSA-N 0 0 285.162 3.897 10 0 CHAERN COc1ccc(C(=O)c2ccco2)c2ccccc12 ZINC000035369405 172160922 /nfs/dbraw/zinc/16/09/22/172160922.db2.gz MRAQHIGDPGNNEV-UHFFFAOYSA-N 0 0 252.269 3.672 10 0 CHAERN COc1ccc(C(=O)c2sccc2C)cc1Cl ZINC000035369324 172161041 /nfs/dbraw/zinc/16/10/41/172161041.db2.gz DOIOQNVMUJEDDI-UHFFFAOYSA-N 0 0 266.749 3.950 10 0 CHAERN Cc1ccc(Cn2nc(C(C)C)c(C=O)c2Cl)cc1 ZINC000035412647 172184756 /nfs/dbraw/zinc/18/47/56/172184756.db2.gz VFIAABWZFKOFPM-UHFFFAOYSA-N 0 0 276.767 3.829 10 0 CHAERN CN[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035501471 172235909 /nfs/dbraw/zinc/23/59/09/172235909.db2.gz ZCYQAYNNJQZQSX-MRVPVSSYSA-N 0 0 258.070 3.816 10 0 CHAERN CCN[C@@H](c1occc1C)c1cc(F)ccc1F ZINC000035543408 172251023 /nfs/dbraw/zinc/25/10/23/172251023.db2.gz YMILCBFZQZGLBO-CYBMUJFWSA-N 0 0 251.276 3.565 10 0 CHAERN Cc1cccc(OCc2nnc(-c3ccccc3C)[nH]2)c1 ZINC000035551833 172258848 /nfs/dbraw/zinc/25/88/48/172258848.db2.gz UXFUULXEEGQWCE-UHFFFAOYSA-N 0 0 279.343 3.668 10 0 CHAERN O=Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000035576525 172272831 /nfs/dbraw/zinc/27/28/31/172272831.db2.gz QTHUXFGNJIKPAW-UHFFFAOYSA-N 0 0 274.707 3.797 10 0 CHAERN CCCN[C@@H](c1ccc(F)c(F)c1)C(F)(F)F ZINC000035582378 172280376 /nfs/dbraw/zinc/28/03/76/172280376.db2.gz RFTDUVQVACFJQV-JTQLQIEISA-N 0 0 253.214 3.568 10 0 CHAERN CCCN[C@@H](c1cc(C)sc1C)C(F)(F)F ZINC000035583261 172281905 /nfs/dbraw/zinc/28/19/05/172281905.db2.gz NRKDUGHQEKVTCV-JTQLQIEISA-N 0 0 251.317 3.968 10 0 CHAERN CCN(Cc1ccccc1)c1ccc([C@@H](C)O)cc1 ZINC000035631560 172313557 /nfs/dbraw/zinc/31/35/57/172313557.db2.gz YAIBEFCMZPVIPS-CQSZACIVSA-N 0 0 255.361 3.766 10 0 CHAERN C[C@H](O)c1ccc(N2CCCCCCC2)c(F)c1 ZINC000035631508 172313743 /nfs/dbraw/zinc/31/37/43/172313743.db2.gz XZSWNLGJPPXKHZ-LBPRGKRZSA-N 0 0 251.345 3.650 10 0 CHAERN C[C@@H](O)c1ccc(N2CCc3ccccc32)c(F)c1 ZINC000035631352 172313771 /nfs/dbraw/zinc/31/37/71/172313771.db2.gz ALBBOAPLGDEXAG-LLVKDONJSA-N 0 0 257.308 3.573 10 0 CHAERN CCOc1ccccc1Oc1ccc([C@@H](C)O)cc1 ZINC000035632122 172314425 /nfs/dbraw/zinc/31/44/25/172314425.db2.gz YVKKBVWAWSNHTC-GFCCVEGCSA-N 0 0 258.317 3.931 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1cccc(F)c1 ZINC000035632354 172314884 /nfs/dbraw/zinc/31/48/84/172314884.db2.gz WKLOVXOYSSGZOO-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN Cc1c(N)cccc1COc1cccc(Br)c1 ZINC000035649369 172325169 /nfs/dbraw/zinc/32/51/69/172325169.db2.gz DCHOCWQIEYSGMH-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN COc1cccc(SCc2cccc(N)c2C)c1 ZINC000035649516 172326092 /nfs/dbraw/zinc/32/60/92/172326092.db2.gz AIJSWLRWUZGHQS-UHFFFAOYSA-N 0 0 259.374 3.878 10 0 CHAERN Nc1ccc(Sc2ccc3ccccc3c2)cn1 ZINC000035676433 172347271 /nfs/dbraw/zinc/34/72/71/172347271.db2.gz ZFSFQVHPWBDGAD-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN C[C@H](c1cccnc1)n1c2ccccc2[nH]c1=S ZINC000035692403 172361705 /nfs/dbraw/zinc/36/17/05/172361705.db2.gz XNIIVHNAGQURLM-SNVBAGLBSA-N 0 0 255.346 3.703 10 0 CHAERN C[C@H](Nc1ccnc2cc(Cl)ccc21)[C@@H]1CCCO1 ZINC000035736203 172389261 /nfs/dbraw/zinc/38/92/61/172389261.db2.gz CMUMDHCDYVYCCW-BONVTDFDSA-N 0 0 276.767 3.868 10 0 CHAERN C[C@@H](Nc1nc2cccc(Cl)c2s1)[C@H]1CCCO1 ZINC000035736358 172389291 /nfs/dbraw/zinc/38/92/91/172389291.db2.gz SNEFPPSMNZZITJ-LDYMZIIASA-N 0 0 282.796 3.929 10 0 CHAERN C[C@H](Nc1ccccc1C(N)=S)c1cccs1 ZINC000035736888 172390006 /nfs/dbraw/zinc/39/00/06/172390006.db2.gz OZYMGSJHMQSWEL-VIFPVBQESA-N 0 0 262.403 3.555 10 0 CHAERN COC(=O)C[C@H](C)Sc1ccc(C(C)C)cc1 ZINC000035741021 172394888 /nfs/dbraw/zinc/39/48/88/172394888.db2.gz CMNOFAODPCLTNA-NSHDSACASA-N 0 0 252.379 3.854 10 0 CHAERN C/C(=C\c1ccccc1F)C(=O)NCCc1ccccc1 ZINC000036172348 172491307 /nfs/dbraw/zinc/49/13/07/172491307.db2.gz FGLUPQREKPXPEW-BUHFOSPRSA-N 0 0 283.346 3.588 10 0 CHAERN Cc1ccc(-c2nc3ccc(Cl)cn3c2N)cc1 ZINC000036222213 172519644 /nfs/dbraw/zinc/51/96/44/172519644.db2.gz WSNXQGNOXGDMKS-UHFFFAOYSA-N 0 0 257.724 3.545 10 0 CHAERN Cc1cc(Br)cn2c(C=O)c(C(C)(C)C)nc12 ZINC000036244281 172543279 /nfs/dbraw/zinc/54/32/79/172543279.db2.gz ZOSMTSKZYWHVHH-UHFFFAOYSA-N 0 0 295.180 3.515 10 0 CHAERN CCCCS[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000036332858 172617331 /nfs/dbraw/zinc/61/73/31/172617331.db2.gz HWPDMMQUBFWKPN-SECBINFHSA-N 0 0 286.828 3.783 10 0 CHAERN CCc1noc(N)c1-c1cccc(C(F)(F)F)c1 ZINC000036937104 172816118 /nfs/dbraw/zinc/81/61/18/172816118.db2.gz DLEOBQRQYQHFRE-UHFFFAOYSA-N 0 0 256.227 3.505 10 0 CHAERN FC(F)(F)CSc1ccccc1NC[C@H]1CCOC1 ZINC000036990216 172852860 /nfs/dbraw/zinc/85/28/60/172852860.db2.gz MHHVPUFCYVQNIW-SNVBAGLBSA-N 0 0 291.338 3.789 10 0 CHAERN CCc1cc(Oc2cc(C(N)=S)ccn2)ccc1Cl ZINC000037024290 172888328 /nfs/dbraw/zinc/88/83/28/172888328.db2.gz SXPKVOXSKJWJMH-UHFFFAOYSA-N 0 0 292.791 3.724 10 0 CHAERN CCOc1ncccc1N[C@H](C)c1nc(C)sc1C ZINC000037025674 172889829 /nfs/dbraw/zinc/88/98/29/172889829.db2.gz OFTMLDQENIUQOY-SECBINFHSA-N 0 0 277.393 3.727 10 0 CHAERN CC(C)CC[C@H](C)Nc1ccc(-n2ccnc2)nc1 ZINC000037040448 172910490 /nfs/dbraw/zinc/91/04/90/172910490.db2.gz CYFAVMQNDKJRAD-ZDUSSCGKSA-N 0 0 258.369 3.504 10 0 CHAERN Oc1cccc2c(NCc3ccccn3)cccc12 ZINC000037132346 172974782 /nfs/dbraw/zinc/97/47/82/172974782.db2.gz DOHJJEDFVKUXQO-UHFFFAOYSA-N 0 0 250.301 3.553 10 0 CHAERN CC(C)(C)c1nc(CSc2ccncc2N)cs1 ZINC000037189724 173019206 /nfs/dbraw/zinc/01/92/06/173019206.db2.gz NGKYQQFYTXEJAF-UHFFFAOYSA-N 0 0 279.434 3.710 10 0 CHAERN Nc1ccc(SCCSc2ccc(F)cc2)cn1 ZINC000037192095 173020831 /nfs/dbraw/zinc/02/08/31/173020831.db2.gz ONBKYJHECISBJE-UHFFFAOYSA-N 0 0 280.393 3.687 10 0 CHAERN Clc1ccc2sc(NCc3ccncc3)nc2c1 ZINC000037206803 173027280 /nfs/dbraw/zinc/02/72/80/173027280.db2.gz XTVYLJZJPQJGLR-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN Clc1cccc2nc(NCc3ccncc3)sc21 ZINC000037206799 173027819 /nfs/dbraw/zinc/02/78/19/173027819.db2.gz FMLOWYHTKIJCDP-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN CC(C)[C@@H](Nc1cccc(C(N)=O)c1)c1cccs1 ZINC000037219751 173037244 /nfs/dbraw/zinc/03/72/44/173037244.db2.gz RUBAYLVFOFZADT-CQSZACIVSA-N 0 0 274.389 3.656 10 0 CHAERN COc1cc(C)ccc1[C@@H](C)Nc1cccc(O)c1 ZINC000037238111 173055088 /nfs/dbraw/zinc/05/50/88/173055088.db2.gz NPQSFXSXPCLHJV-GFCCVEGCSA-N 0 0 257.333 3.882 10 0 CHAERN CC[C@@H](Nc1cccc(O)c1)c1ccccc1OC ZINC000037237809 173055441 /nfs/dbraw/zinc/05/54/41/173055441.db2.gz KYOBGHWTORBLKT-OAHLLOKOSA-N 0 0 257.333 3.964 10 0 CHAERN COc1cc(C)ccc1[C@H](C)Nc1cccc(O)c1 ZINC000037238114 173055446 /nfs/dbraw/zinc/05/54/46/173055446.db2.gz NPQSFXSXPCLHJV-LBPRGKRZSA-N 0 0 257.333 3.882 10 0 CHAERN Fc1cccc(F)c1N[C@H]1CCc2ccccc2C1 ZINC000037247246 173060304 /nfs/dbraw/zinc/06/03/04/173060304.db2.gz DSFHJNZRYCHNNU-ZDUSSCGKSA-N 0 0 259.299 3.934 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1ccc2nc(C)sc2c1 ZINC000037278476 173088247 /nfs/dbraw/zinc/08/82/47/173088247.db2.gz RWUFYJHFYBTCKB-OCCSQVGLSA-N 0 0 276.405 3.974 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1cnc2ccccc2c1 ZINC000037284147 173091329 /nfs/dbraw/zinc/09/13/29/173091329.db2.gz BOZKFNHPEHUGGZ-CVEARBPZSA-N 0 0 256.349 3.604 10 0 CHAERN CCCC[C@H](C)Nc1ccccc1CN(C)C(C)=O ZINC000037284335 173091588 /nfs/dbraw/zinc/09/15/88/173091588.db2.gz UJKIQYPZTYXYLT-ZDUSSCGKSA-N 0 0 262.397 3.656 10 0 CHAERN CC(C)c1cc(N)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000037291246 173096916 /nfs/dbraw/zinc/09/69/16/173096916.db2.gz YNYQABZUJXNIJD-UHFFFAOYSA-N 0 0 270.163 3.885 10 0 CHAERN OCc1ccccc1N[C@H]1CSCc2ccccc21 ZINC000037317166 173117348 /nfs/dbraw/zinc/11/73/48/173117348.db2.gz XPCJEZLRGKLMQZ-INIZCTEOSA-N 0 0 271.385 3.579 10 0 CHAERN CCCn1c2ccccc2nc1-c1ccccc1O ZINC000037323753 173124125 /nfs/dbraw/zinc/12/41/25/173124125.db2.gz CTHIBWOCKKNOQH-UHFFFAOYSA-N 0 0 252.317 3.819 10 0 CHAERN C[C@H]1CCC[C@H](OCCC(=O)c2ccc(F)cc2)C1 ZINC000037330651 173131721 /nfs/dbraw/zinc/13/17/21/173131721.db2.gz HWJFWEQJNABHRP-WFASDCNBSA-N 0 0 264.340 3.994 10 0 CHAERN CCOc1cc(Cl)c([C@@H](N)C(F)(F)F)cc1OCC ZINC000037332882 173133597 /nfs/dbraw/zinc/13/35/97/173133597.db2.gz ZPGRRHGEGNERKX-LLVKDONJSA-N 0 0 297.704 3.700 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)c1ccc(F)cc1 ZINC000037342433 173142279 /nfs/dbraw/zinc/14/22/79/173142279.db2.gz BEUSCUNWNFWNGW-WBMJQRKESA-N 0 0 264.340 3.994 10 0 CHAERN Cc1ccccc1-c1c(N)n[nH]c1-c1ccc(F)cc1 ZINC000037348288 173144082 /nfs/dbraw/zinc/14/40/82/173144082.db2.gz UYJRFPCXARYDAO-UHFFFAOYSA-N 0 0 267.307 3.773 10 0 CHAERN CC[C@@H](C)c1noc(N)c1-c1ccc(C)c(OC)c1 ZINC000037350907 173144643 /nfs/dbraw/zinc/14/46/43/173144643.db2.gz NRMHISCPNAJMOE-SECBINFHSA-N 0 0 260.337 3.754 10 0 CHAERN CCCC[C@H](CC)C(=O)c1ccc2c(c1)OCCO2 ZINC000037354110 173147064 /nfs/dbraw/zinc/14/70/64/173147064.db2.gz DFMMSDMYXSPELH-LBPRGKRZSA-N 0 0 262.349 3.857 10 0 CHAERN O=C(c1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000037364582 173154140 /nfs/dbraw/zinc/15/41/40/173154140.db2.gz JHGAOPJAZGDZBC-UHFFFAOYSA-N 0 0 280.751 3.874 10 0 CHAERN C[C@@H](c1ccccn1)n1c2cccc(F)c2[nH]c1=S ZINC000037422817 173198227 /nfs/dbraw/zinc/19/82/27/173198227.db2.gz GODQJNVMDGSPKS-VIFPVBQESA-N 0 0 273.336 3.842 10 0 CHAERN Cn1c2cccc(F)c2nc1-c1cc(Cl)ccc1N ZINC000037442536 173211089 /nfs/dbraw/zinc/21/10/89/173211089.db2.gz LJJIJWMCUWOWTC-UHFFFAOYSA-N 0 0 275.714 3.615 10 0 CHAERN Oc1ccc(Cc2nc3c(cccc3Cl)[nH]2)cc1 ZINC000037444515 173212069 /nfs/dbraw/zinc/21/20/69/173212069.db2.gz HFUAPLFVXIFBJN-UHFFFAOYSA-N 0 0 258.708 3.513 10 0 CHAERN CCCN[C@H](C(=O)OCC)c1ccc(Cl)cc1Cl ZINC000037513745 173244933 /nfs/dbraw/zinc/24/49/33/173244933.db2.gz YOYOZGDFUAKBNK-LBPRGKRZSA-N 0 0 290.190 3.597 10 0 CHAERN C[C@](O)(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529270 173252961 /nfs/dbraw/zinc/25/29/61/173252961.db2.gz BFPZTTKKCXYQFC-AWEZNQCLSA-N 0 0 295.151 3.844 10 0 CHAERN COc1cccc([C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532132 173253564 /nfs/dbraw/zinc/25/35/64/173253564.db2.gz UJFAKWBPOFZYOR-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN Cc1c2ccccc2oc1[C@@H](C)Nc1ccn(C)n1 ZINC000037560612 173270689 /nfs/dbraw/zinc/27/06/89/173270689.db2.gz BQUJJOYAQNAGBG-LLVKDONJSA-N 0 0 255.321 3.648 10 0 CHAERN Cn1ccc(N[C@@H]2CCC(C)(C)c3ccccc32)n1 ZINC000037560359 173270785 /nfs/dbraw/zinc/27/07/85/173270785.db2.gz NGSLZWPDVHWJRG-CQSZACIVSA-N 0 0 255.365 3.645 10 0 CHAERN COCCCNc1ccc(Cl)cc1C(F)(F)F ZINC000037753679 173677545 /nfs/dbraw/zinc/67/75/45/173677545.db2.gz ZXTQFLIMBXGWKH-UHFFFAOYSA-N 0 0 267.678 3.807 10 0 CHAERN OCc1nc2scc(-c3ccccc3)c2c(Cl)n1 ZINC000037757026 173680636 /nfs/dbraw/zinc/68/06/36/173680636.db2.gz FCIIIJCZTRHDTB-UHFFFAOYSA-N 0 0 276.748 3.504 10 0 CHAERN Clc1ccc(NCc2ccccn2)c2ncccc12 ZINC000037767198 173696639 /nfs/dbraw/zinc/69/66/39/173696639.db2.gz AUACSSIKYYRGKE-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN CCNC(=O)c1ccc(N[C@@H](C)[C@@H](C)CC)c(C)c1 ZINC000037780001 173710341 /nfs/dbraw/zinc/71/03/41/173710341.db2.gz ZVOQFXZBJKQEII-AAEUAGOBSA-N 0 0 262.397 3.591 10 0 CHAERN NC(=O)[C@H](Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000037945238 173886422 /nfs/dbraw/zinc/88/64/22/173886422.db2.gz GLZLJAGMDRMJLV-CYBMUJFWSA-N 0 0 295.169 3.632 10 0 CHAERN CCCC(CCC)(Nc1ccc(C)cc1)C(=O)OC ZINC000037953396 173895537 /nfs/dbraw/zinc/89/55/37/173895537.db2.gz DKANQUOBSHPJFV-UHFFFAOYSA-N 0 0 263.381 3.919 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2Cl)CCC[C@H](C)C1 ZINC000037955121 173896772 /nfs/dbraw/zinc/89/67/72/173896772.db2.gz KIFWJNIVTYCYHY-NHYWBVRUSA-N 0 0 281.783 3.874 10 0 CHAERN Nc1ccc(Cl)c(Nc2ncnc3ccsc32)c1 ZINC000038033891 174031805 /nfs/dbraw/zinc/03/18/05/174031805.db2.gz YIWUVAQLYJTPIM-UHFFFAOYSA-N 0 0 276.752 3.671 10 0 CHAERN Nc1cc(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000038039953 174039751 /nfs/dbraw/zinc/03/97/51/174039751.db2.gz CUODBDSHPSLGJV-UHFFFAOYSA-N 0 0 278.346 3.928 10 0 CHAERN Nc1cc(F)c(N2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000038040165 174040341 /nfs/dbraw/zinc/04/03/41/174040341.db2.gz HVPZBNHPUINHIE-HNNXBMFYSA-N 0 0 274.314 3.889 10 0 CHAERN Nc1cc(F)c(Oc2cccc3cccnc32)c(F)c1 ZINC000038040341 174040487 /nfs/dbraw/zinc/04/04/87/174040487.db2.gz ORKOQAWZFBGZMN-UHFFFAOYSA-N 0 0 272.254 3.888 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1c(F)cc(N)cc1F ZINC000038040306 174040543 /nfs/dbraw/zinc/04/05/43/174040543.db2.gz WJHPEHZDGPQEKX-TVQRCGJNSA-N 0 0 255.308 3.895 10 0 CHAERN CCn1c(CNc2cccnc2Cl)nc2ccccc21 ZINC000038046806 174055968 /nfs/dbraw/zinc/05/59/68/174055968.db2.gz IVMCHEBCKKWCFN-UHFFFAOYSA-N 0 0 286.766 3.717 10 0 CHAERN CC(C)c1ccc(C(=O)Cn2cc(Cl)cn2)cc1 ZINC000038053774 174065223 /nfs/dbraw/zinc/06/52/23/174065223.db2.gz XNLCTCYNRQQHHD-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Cc1ccc(C)c(C(=O)[C@H](C)n2cc(Cl)cn2)c1 ZINC000038053818 174065325 /nfs/dbraw/zinc/06/53/25/174065325.db2.gz VPTUKTZICLYIPH-NSHDSACASA-N 0 0 262.740 3.597 10 0 CHAERN O=C(c1cccc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000038057537 174068221 /nfs/dbraw/zinc/06/82/21/174068221.db2.gz RAMDZTNPRIKZNY-UHFFFAOYSA-N 0 0 272.731 3.896 10 0 CHAERN CNc1ccc(Oc2ncnc3sccc32)cc1 ZINC000038057290 174068264 /nfs/dbraw/zinc/06/82/64/174068264.db2.gz SJKMCDUBJSPGDS-UHFFFAOYSA-N 0 0 257.318 3.525 10 0 CHAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000038066551 174077560 /nfs/dbraw/zinc/07/75/60/174077560.db2.gz JUYSLGXMEAVGLR-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000038067697 174078969 /nfs/dbraw/zinc/07/89/69/174078969.db2.gz LKUVTNDYSTUPOD-NHYWBVRUSA-N 0 0 283.799 3.506 10 0 CHAERN CCCC1CCC(N[C@@H](C)CC)(C(=O)OCC)CC1 ZINC000038067484 174079467 /nfs/dbraw/zinc/07/94/67/174079467.db2.gz CAIUILQGDPQRSF-HLIUYOAVSA-N 0 0 269.429 3.667 10 0 CHAERN COc1ccc(Cl)cc1-c1ccc(F)c(C=O)c1 ZINC000038069676 174081125 /nfs/dbraw/zinc/08/11/25/174081125.db2.gz ZYRPGTCFYBEAOC-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN COc1ccc(F)cc1CSc1ccc(O)cc1 ZINC000038078857 174088535 /nfs/dbraw/zinc/08/85/35/174088535.db2.gz HSYIYEMVRDCDFE-UHFFFAOYSA-N 0 0 264.321 3.832 10 0 CHAERN Cc1ccc2cccc(Oc3cncc(Cl)n3)c2n1 ZINC000038082405 174091224 /nfs/dbraw/zinc/09/12/24/174091224.db2.gz GSPOHNDRRVVZBN-UHFFFAOYSA-N 0 0 271.707 3.779 10 0 CHAERN COc1ccc(Cl)cc1C(=O)Cc1ccc(F)cc1 ZINC000038126351 174131233 /nfs/dbraw/zinc/13/12/33/174131233.db2.gz IWATXYKQRTVGMV-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN Fc1cccc2c(NNc3ccccc3)ccnc12 ZINC000039963685 174179684 /nfs/dbraw/zinc/17/96/84/174179684.db2.gz UAJPWWHVHMZDBB-UHFFFAOYSA-N 0 0 253.280 3.813 10 0 CHAERN CCc1nc2ccccc2n1CCOc1cccc(OC)c1 ZINC000040227383 174208836 /nfs/dbraw/zinc/20/88/36/174208836.db2.gz XNNQHPDOQHBYEQ-UHFFFAOYSA-N 0 0 296.370 3.686 10 0 CHAERN Cc1ccc([C@H](O)c2c(F)cccc2Cl)cc1 ZINC000040244339 174214388 /nfs/dbraw/zinc/21/43/88/174214388.db2.gz LXRWVORISZYEEP-AWEZNQCLSA-N 0 0 250.700 3.869 10 0 CHAERN O[C@@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000040249059 174215494 /nfs/dbraw/zinc/21/54/94/174215494.db2.gz DDPFNIBCVAYIES-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN CCCCCCn1c(CNC(=O)CC)nc2ccccc21 ZINC000040274370 174218588 /nfs/dbraw/zinc/21/85/88/174218588.db2.gz ICUUXQXWKWOFBD-UHFFFAOYSA-N 0 0 287.407 3.643 10 0 CHAERN CCCC(=S)SCC(=O)c1ccc(NC(C)=O)cc1 ZINC000040431274 174259978 /nfs/dbraw/zinc/25/99/78/174259978.db2.gz DNEBYPSAEUCKGV-UHFFFAOYSA-N 0 0 295.429 3.688 10 0 CHAERN Nc1c(Cl)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040571885 174338698 /nfs/dbraw/zinc/33/86/98/174338698.db2.gz SJVSLHDCGRQKPJ-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN CCOc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040701100 174378951 /nfs/dbraw/zinc/37/89/51/174378951.db2.gz BZVXZAUIVCXBBQ-UHFFFAOYSA-N 0 0 299.161 3.508 10 0 CHAERN COc1ccc2nccc(NC(=O)c3cccc(C)c3)c2c1 ZINC000041058052 174465408 /nfs/dbraw/zinc/46/54/08/174465408.db2.gz OJDGHIPYZUHLRT-UHFFFAOYSA-N 0 0 292.338 3.804 10 0 CHAERN Cc1ccc(C[C@@H](CO)Cc2ccccc2C)cc1 ZINC000041324615 174521413 /nfs/dbraw/zinc/52/14/13/174521413.db2.gz YYLOLRAVVOUFFU-QGZVFWFLSA-N 0 0 254.373 3.697 10 0 CHAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccccc1C ZINC000041434360 174552501 /nfs/dbraw/zinc/55/25/01/174552501.db2.gz YAUUXVRCVBBKMT-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1Cl ZINC000042289874 174675161 /nfs/dbraw/zinc/67/51/61/174675161.db2.gz ODURMLRHNXGAPV-NOZJJQNGSA-N 0 0 267.756 3.658 10 0 CHAERN Cc1nc2cc(N(CC(C)C)C3CC3)c(N)cc2s1 ZINC000042556607 174793828 /nfs/dbraw/zinc/79/38/28/174793828.db2.gz UYLOJLBZEHJGHE-UHFFFAOYSA-N 0 0 275.421 3.812 10 0 CHAERN CC(C)C[C@H](C)N(C)c1ccc2scnc2c1N ZINC000042578003 174802948 /nfs/dbraw/zinc/80/29/48/174802948.db2.gz GPPVFQWGJAIGME-JTQLQIEISA-N 0 0 263.410 3.749 10 0 CHAERN CCN(CC(F)(F)F)c1cc2nc(C)sc2cc1N ZINC000042739888 174861693 /nfs/dbraw/zinc/86/16/93/174861693.db2.gz LANJQHBNQKGLBG-UHFFFAOYSA-N 0 0 289.326 3.576 10 0 CHAERN Cc1ccc2c(c1)[nH]c(=S)n2C[C@@H]1CCCCO1 ZINC000042823514 174887822 /nfs/dbraw/zinc/88/78/22/174887822.db2.gz WIJXSWWMPGTDHT-NSHDSACASA-N 0 0 262.378 3.576 10 0 CHAERN Cc1ccnc(Oc2ccccc2Br)c1 ZINC000043561351 175066607 /nfs/dbraw/zinc/06/66/07/175066607.db2.gz JIJCFRSFTFXFQM-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN O[C@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000043658468 175085842 /nfs/dbraw/zinc/08/58/42/175085842.db2.gz BMLIQHBCFAMJGD-RISCZKNCSA-N 0 0 299.208 3.769 10 0 CHAERN Cc1nn(Cc2ccc(C(C)(C)C)cc2)c(N)c1Cl ZINC000043667255 175086449 /nfs/dbraw/zinc/08/64/49/175086449.db2.gz BIVFCWSJIATUKL-UHFFFAOYSA-N 0 0 277.799 3.773 10 0 CHAERN Cc1nn([C@H](C)c2ccccc2Cl)c(N)c1Cl ZINC000043667684 175086755 /nfs/dbraw/zinc/08/67/55/175086755.db2.gz YCJZUSQMQVFADS-MRVPVSSYSA-N 0 0 270.163 3.690 10 0 CHAERN O=C1CCCC[C@@H]1Cc1sccc1Br ZINC000043676108 175088325 /nfs/dbraw/zinc/08/83/25/175088325.db2.gz FUWQNVGYYBHRDT-MRVPVSSYSA-N 0 0 273.195 3.812 10 0 CHAERN CCCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000043826652 175115018 /nfs/dbraw/zinc/11/50/18/175115018.db2.gz ILQFGASTRYEGPJ-MNOVXSKESA-N 0 0 265.319 3.804 10 0 CHAERN Cc1cc(F)ccc1-c1cccc(Br)n1 ZINC000044120199 175142740 /nfs/dbraw/zinc/14/27/40/175142740.db2.gz YSZUBRJZZANQAU-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN CCN(C[C@H](O)c1ccccc1OC)c1cccc(C)c1 ZINC000044161890 175147420 /nfs/dbraw/zinc/14/74/20/175147420.db2.gz VOHHVMRHHGJXNO-KRWDZBQOSA-N 0 0 285.387 3.564 10 0 CHAERN O=Cc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000044266103 175157904 /nfs/dbraw/zinc/15/79/04/175157904.db2.gz HXFONKJWWISEBU-UHFFFAOYSA-N 0 0 272.156 3.853 10 0 CHAERN O=C(C1CCCC1)N(Cc1ccsc1)CC(F)(F)F ZINC000044447434 175176415 /nfs/dbraw/zinc/17/64/15/175176415.db2.gz VPOALKMFYYHMKM-UHFFFAOYSA-N 0 0 291.338 3.829 10 0 CHAERN c1ccc(CNCc2nc3c(s2)CCCCC3)cc1 ZINC000045205949 175327569 /nfs/dbraw/zinc/32/75/69/175327569.db2.gz ZEUOBFCJSWWXTG-UHFFFAOYSA-N 0 0 272.417 3.702 10 0 CHAERN O=C1C[C@@H](c2ccc(F)cc2)Oc2cc(F)ccc21 ZINC000045370063 175363610 /nfs/dbraw/zinc/36/36/10/175363610.db2.gz YKJLGNVYFBPKJK-AWEZNQCLSA-N 0 0 260.239 3.671 10 0 in-vivo CHAERN CCOC(=O)[C@@H](Oc1cccc(Cl)c1Cl)C(C)C ZINC000045923708 175386945 /nfs/dbraw/zinc/38/69/45/175386945.db2.gz WARLATOTTXQOQE-LBPRGKRZSA-N 0 0 291.174 3.960 10 0 CHAERN CC(C)(C)C1CCC(C(=O)N2CCCCC2)CC1 ZINC000046462486 175396805 /nfs/dbraw/zinc/39/68/05/175396805.db2.gz BXKUOQHFNYEBQB-UHFFFAOYSA-N 0 0 251.414 3.851 10 0 CHAERN CC(C)N(Cc1nccn1C(C)C)c1ccccc1 ZINC000171632715 335072873 /nfs/dbraw/zinc/07/28/73/335072873.db2.gz GNFDAMSXKNPLDJ-UHFFFAOYSA-N 0 0 257.381 3.879 10 0 CHAERN COC(=O)c1cc(-c2ccc(O)c(OC)c2)ccc1Cl ZINC000065342909 175712447 /nfs/dbraw/zinc/71/24/47/175712447.db2.gz BFDCBIKFRBTKOM-UHFFFAOYSA-N 0 0 292.718 3.508 10 0 CHAERN Nc1cc(Cl)ccc1C(=O)OCc1ccccc1Cl ZINC000070135897 175873623 /nfs/dbraw/zinc/87/36/23/175873623.db2.gz BNVQJLVTDRMYLI-UHFFFAOYSA-N 0 0 296.153 3.933 10 0 CHAERN CCCNC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000070191836 175881465 /nfs/dbraw/zinc/88/14/65/175881465.db2.gz WQENWBKARCJDHB-CYBMUJFWSA-N 0 0 253.773 3.606 10 0 CHAERN Cc1c(Cl)nnc(OC2CCCCCC2)c1C ZINC000071170883 176051500 /nfs/dbraw/zinc/05/15/00/176051500.db2.gz HDJRUTARYAZGEH-UHFFFAOYSA-N 0 0 254.761 3.848 10 0 CHAERN Cc1ccccc1Cn1nc(C(C)C)c(C=O)c1Cl ZINC000071187390 176060508 /nfs/dbraw/zinc/06/05/08/176060508.db2.gz FSPJXIATOTVKST-UHFFFAOYSA-N 0 0 276.767 3.829 10 0 CHAERN C[C@H]1CCC[C@H]1Nc1nnc(Cl)c2ccccc21 ZINC000071210660 176082741 /nfs/dbraw/zinc/08/27/41/176082741.db2.gz JNSNAAJTPQQOAI-JOYOIKCWSA-N 0 0 261.756 3.884 10 0 CHAERN CCc1cccc(C)c1NC1=NC[C@H](C2CC2)S1 ZINC000071306655 176115887 /nfs/dbraw/zinc/11/58/87/176115887.db2.gz GZYQOZPOWOGEHZ-CYBMUJFWSA-N 0 0 260.406 3.851 10 0 CHAERN Cc1cccnc1Cn1c2ccc(F)cc2[nH]c1=S ZINC000071344570 176131209 /nfs/dbraw/zinc/13/12/09/176131209.db2.gz HACOLHWUOJSBDA-UHFFFAOYSA-N 0 0 273.336 3.590 10 0 CHAERN C[C@@H](O)c1c(Cl)[nH]c2ccc(Br)cc21 ZINC000071465456 176181569 /nfs/dbraw/zinc/18/15/69/176181569.db2.gz FLTNYAXMMDZLPV-RXMQYKEDSA-N 0 0 274.545 3.637 10 0 CHAERN OCc1c2cccc(F)c2n(Cc2ccccc2)c1Cl ZINC000071465971 176182066 /nfs/dbraw/zinc/18/20/66/176182066.db2.gz FURZRVARUXJDJP-UHFFFAOYSA-N 0 0 289.737 3.974 10 0 CHAERN OCc1c(Cl)[nH]c2c1ccc(Cl)c2Cl ZINC000071466171 176182116 /nfs/dbraw/zinc/18/21/16/176182116.db2.gz KPCLSQYLYFRLJD-UHFFFAOYSA-N 0 0 250.512 3.620 10 0 CHAERN CCc1cc(Cl)n2nc(-c3cccs3)cc2n1 ZINC000071466751 176182729 /nfs/dbraw/zinc/18/27/29/176182729.db2.gz JXOUTCCSHSUCMO-UHFFFAOYSA-N 0 0 263.753 3.674 10 0 CHAERN CC(C)(C)c1cc2ccccn2c1Br ZINC000071477158 176187529 /nfs/dbraw/zinc/18/75/29/176187529.db2.gz UZWQSAYBDZSAQZ-UHFFFAOYSA-N 0 0 252.155 3.999 10 0 CHAERN Clc1nc(NCc2ccccc2)nc2sccc21 ZINC000071671429 176242494 /nfs/dbraw/zinc/24/24/94/176242494.db2.gz IBTCJRDKNCUATG-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN Clc1ccc(-n2nccc2-c2cccnc2)cc1 ZINC000072190565 176336373 /nfs/dbraw/zinc/33/63/73/176336373.db2.gz VUFQTYKEZZUAMS-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Cc1ccccc1-c1scnc1Br ZINC000072192323 176336873 /nfs/dbraw/zinc/33/68/73/176336873.db2.gz NWMZGSYDMMCQQM-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN COc1ccccc1-c1cc(Br)ccn1 ZINC000072204593 176342329 /nfs/dbraw/zinc/34/23/29/176342329.db2.gz LFIMWWFSDRPIMW-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN Cc1ccc(-c2nnc(-c3cccc(Cl)c3)[nH]2)cc1N ZINC000072236711 176345489 /nfs/dbraw/zinc/34/54/89/176345489.db2.gz SEBXGTNRLSWPQF-UHFFFAOYSA-N 0 0 284.750 3.683 10 0 CHAERN Cc1[nH]nc2c1[C@H](O)C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415161 176399740 /nfs/dbraw/zinc/39/97/40/176399740.db2.gz URGIKBWPMHYLKC-GDBMZVCRSA-N 0 0 270.376 3.605 10 0 CHAERN Fc1ccc(-c2cnn3c2ncc2c3CCCCC2)cc1 ZINC000072451936 176405258 /nfs/dbraw/zinc/40/52/58/176405258.db2.gz ZOTJAHUBDTTXRV-UHFFFAOYSA-N 0 0 281.334 3.804 10 0 CHAERN Fc1ccc(-c2nc(Cl)cc(-c3ccccn3)n2)cc1 ZINC000073695398 176486353 /nfs/dbraw/zinc/48/63/53/176486353.db2.gz MBEHULUNZVGOCZ-UHFFFAOYSA-N 0 0 285.709 3.998 10 0 CHAERN Fc1cccc2[nH]c(=S)n(Cc3ccccc3)c21 ZINC000075953617 176844293 /nfs/dbraw/zinc/84/42/93/176844293.db2.gz QLPSPYCDYLNWPY-UHFFFAOYSA-N 0 0 258.321 3.886 10 0 CHAERN Cc1nc(NCc2ccccc2)sc1Br ZINC000076484794 177027106 /nfs/dbraw/zinc/02/71/06/177027106.db2.gz XZUPRTDSBIQVFW-UHFFFAOYSA-N 0 0 283.194 3.826 10 0 CHAERN CSc1nc2c(Br)csc2c(Cl)n1 ZINC000077025092 177154118 /nfs/dbraw/zinc/15/41/18/177154118.db2.gz WKBPXKRVFXSEGY-UHFFFAOYSA-N 0 0 295.614 3.829 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[C@H]32)c1C ZINC000334707071 225281464 /nfs/dbraw/zinc/28/14/64/225281464.db2.gz BZOGZRJDETWBPT-DGCLKSJQSA-N 0 0 278.783 3.973 10 0 CHAERN Cc1cnc([C@@H](C)NC(=O)N2CC(C)(C)CC(C)(C)C2)o1 ZINC000336450104 227021544 /nfs/dbraw/zinc/02/15/44/227021544.db2.gz PCRDZHRZJZZQSY-GFCCVEGCSA-N 0 0 293.411 3.512 10 0 CHAERN C[C@H](Nc1nc2ccccc2c(=O)[nH]1)c1cccs1 ZINC000301132606 227458965 /nfs/dbraw/zinc/45/89/65/227458965.db2.gz UGPPDINUGLOXKL-VIFPVBQESA-N 0 0 271.345 3.570 10 0 CHAERN Cc1cc(N2CCC(CCc3ccccc3)CC2)nnc1C ZINC000302297800 227837327 /nfs/dbraw/zinc/83/73/27/227837327.db2.gz MPBRPEPBXALZBY-UHFFFAOYSA-N 0 0 295.430 3.943 10 0 CHAERN COCCc1nsc(Nc2ccc(C(C)C)c(F)c2)n1 ZINC000302830807 227891700 /nfs/dbraw/zinc/89/17/00/227891700.db2.gz QJLBHSMGTKASKN-UHFFFAOYSA-N 0 0 295.383 3.733 10 0 CHAERN CSc1cccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)n1 ZINC000333837763 228216254 /nfs/dbraw/zinc/21/62/54/228216254.db2.gz KOAXUCMVPHREDK-IWIIMEHWSA-N 0 0 287.388 3.757 10 0 CHAERN CN(C(=O)N[C@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000179640389 260060041 /nfs/dbraw/zinc/06/00/41/260060041.db2.gz QJLHDOHWVDMJMK-INIZCTEOSA-N 0 0 290.382 3.787 10 0 CHAERN CC[C@@H](NC(=O)c1cccc(N)c1)c1cccc(Cl)c1 ZINC000037007284 260061480 /nfs/dbraw/zinc/06/14/80/260061480.db2.gz OAWCJTOKYBPKKZ-OAHLLOKOSA-N 0 0 288.778 3.803 10 0 CHAERN Cc1ccc(F)c(N[C@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000037245727 260077934 /nfs/dbraw/zinc/07/79/34/260077934.db2.gz FYWKKCNRYJUDQO-AWEZNQCLSA-N 0 0 284.334 3.654 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1cccnc1 ZINC000180112848 260093880 /nfs/dbraw/zinc/09/38/80/260093880.db2.gz MRMZQCMOJWTNSR-UONOGXRCSA-N 0 0 274.408 3.897 10 0 CHAERN CC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCCC1 ZINC000180490907 260103841 /nfs/dbraw/zinc/10/38/41/260103841.db2.gz WCOVDDSARIBVNN-HUUCEWRRSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](CC2CCC2)c2ccccc2)O1 ZINC000180636109 260107730 /nfs/dbraw/zinc/10/77/30/260107730.db2.gz FCUPUHJCVRXFID-COXVUDFISA-N 0 0 287.403 3.602 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000230054923 260145207 /nfs/dbraw/zinc/14/52/07/260145207.db2.gz WHUDALCAJAMQOI-ZWNOBZJWSA-N 0 0 296.208 3.502 10 0 CHAERN CC[C@H](Nc1nccc(C(F)(F)F)n1)c1nccs1 ZINC000077898315 260167424 /nfs/dbraw/zinc/16/74/24/260167424.db2.gz SLJOOFABSNXZMC-ZETCQYMHSA-N 0 0 288.298 3.515 10 0 CHAERN CC[C@@H](NC(=O)c1cc(Br)ccc1C)C(C)C ZINC000087745258 260224688 /nfs/dbraw/zinc/22/46/88/260224688.db2.gz NBGHWJZSFRZXGZ-CYBMUJFWSA-N 0 0 298.224 3.922 10 0 CHAERN CC1CCC(CNc2cccc(Cn3cncn3)c2)CC1 ZINC000089576699 260237801 /nfs/dbraw/zinc/23/78/01/260237801.db2.gz OZRDINTWTNQXNT-UHFFFAOYSA-N 0 0 284.407 3.565 10 0 CHAERN CCCn1ccc(CNc2cc(NC(C)=O)ccc2C)c1 ZINC000091011826 260264436 /nfs/dbraw/zinc/26/44/36/260264436.db2.gz FKMMQWMVXVOPBY-UHFFFAOYSA-N 0 0 285.391 3.777 10 0 CHAERN O=C(CCC1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000127568789 260368066 /nfs/dbraw/zinc/36/80/66/260368066.db2.gz AEIBZJJLWBUCJU-SJLPKXTDSA-N 0 0 293.451 3.501 10 0 CHAERN O=C(CCC1CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000127569416 260368104 /nfs/dbraw/zinc/36/81/04/260368104.db2.gz AEIBZJJLWBUCJU-WMZOPIPTSA-N 0 0 293.451 3.501 10 0 CHAERN Cc1ccc(F)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000129011075 260380663 /nfs/dbraw/zinc/38/06/63/260380663.db2.gz YFDIOIAEHCQQLQ-MRXNPFEDSA-N 0 0 271.335 3.748 10 0 CHAERN CC(C)COc1ccc([C@H](C)NCc2ccno2)cc1 ZINC000223894118 260399555 /nfs/dbraw/zinc/39/95/55/260399555.db2.gz VEDXGMLMXTWWKH-ZDUSSCGKSA-N 0 0 274.364 3.560 10 0 CHAERN Cc1nn(C)cc1[C@H](C)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000181253501 260575802 /nfs/dbraw/zinc/57/58/02/260575802.db2.gz JBILBQDQFLRNJE-CABZTGNLSA-N 0 0 291.361 3.746 10 0 CHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000171727262 260947963 /nfs/dbraw/zinc/94/79/63/260947963.db2.gz OUKJDAPBBNNDMV-QWRGUYRKSA-N 0 0 298.839 3.548 10 0 CHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N(C)C(C)C)cc1 ZINC000155406575 261101698 /nfs/dbraw/zinc/10/16/98/261101698.db2.gz WPYABNNYFJIXIF-CQSZACIVSA-N 0 0 292.423 3.832 10 0 CHAERN Cc1cccc([C@H](C)N2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000173705704 261168919 /nfs/dbraw/zinc/16/89/19/261168919.db2.gz LDKCKULMBBVUEV-HNNXBMFYSA-N 0 0 297.446 3.971 10 0 CHAERN C[C@H]1COc2ccccc2N1C(=O)c1ccc2cc[nH]c2c1 ZINC000175371964 261224031 /nfs/dbraw/zinc/22/40/31/261224031.db2.gz PDYNFYGZLQGYAV-LBPRGKRZSA-N 0 0 292.338 3.596 10 0 CHAERN CCCn1nccc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000102604290 261268313 /nfs/dbraw/zinc/26/83/13/261268313.db2.gz NBLSLYLVCOOPJK-GFCCVEGCSA-N 0 0 289.354 3.565 10 0 CHAERN CC1(C)CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000102920000 261272477 /nfs/dbraw/zinc/27/24/77/261272477.db2.gz OWCLIAAOQFMBFT-UHFFFAOYSA-N 0 0 299.414 3.539 10 0 CHAERN Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)ccn1 ZINC000104827769 261303213 /nfs/dbraw/zinc/30/32/13/261303213.db2.gz OOTMAGWAZWYPCF-UHFFFAOYSA-N 0 0 295.317 3.572 10 0 CHAERN c1cc(-c2noc(CSCc3ccccc3)n2)co1 ZINC000105571882 261312571 /nfs/dbraw/zinc/31/25/71/261312571.db2.gz JDFROGULDPXRMD-UHFFFAOYSA-N 0 0 272.329 3.763 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105850622 261317681 /nfs/dbraw/zinc/31/76/81/261317681.db2.gz WLOVTVYMSPTVCM-DOMZBBRYSA-N 0 0 291.439 3.527 10 0 CHAERN CCC[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)cs1 ZINC000301755393 261340165 /nfs/dbraw/zinc/34/01/65/261340165.db2.gz KKMFTPNONHEYTL-BQBZGAKWSA-N 0 0 250.289 3.762 10 0 CHAERN C[C@H](Nc1nnc(C2CC2)s1)c1cccs1 ZINC000301733327 261340236 /nfs/dbraw/zinc/34/02/36/261340236.db2.gz QEPXLADZZVOADI-ZETCQYMHSA-N 0 0 251.380 3.650 10 0 CHAERN CC(C)c1ccc([C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164630214 261355918 /nfs/dbraw/zinc/35/59/18/261355918.db2.gz QIPBMRKZEKOQPC-BBRMVZONSA-N 0 0 284.407 3.587 10 0 CHAERN CC(C)c1ccc([C@@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164629842 261356262 /nfs/dbraw/zinc/35/62/62/261356262.db2.gz QIPBMRKZEKOQPC-CZUORRHYSA-N 0 0 284.407 3.587 10 0 CHAERN CCc1ccc([C@@H](C)Nc2nc(C)cnc2C)cc1 ZINC000105665502 261360572 /nfs/dbraw/zinc/36/05/72/261360572.db2.gz IGFBTBPZVCPIPA-GFCCVEGCSA-N 0 0 255.365 3.829 10 0 CHAERN Cc1cccc([C@@H](C)OC(=O)[C@@H](C)c2cccnc2)c1 ZINC000174040845 261554796 /nfs/dbraw/zinc/55/47/96/261554796.db2.gz VQOKHELCVKDAEF-UONOGXRCSA-N 0 0 269.344 3.798 10 0 CHAERN CCCCc1noc(CSCc2nccn2C(C)C)n1 ZINC000175288158 261601926 /nfs/dbraw/zinc/60/19/26/261601926.db2.gz VZPVFSZILYRCMR-UHFFFAOYSA-N 0 0 294.424 3.623 10 0 CHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1C ZINC000180586890 261866883 /nfs/dbraw/zinc/86/68/83/261866883.db2.gz XIBCYTTVICDHSQ-MRXNPFEDSA-N 0 0 298.390 3.786 10 0 CHAERN CC(C)c1nnc(CSCc2ccc(F)cc2)n1C ZINC000182344979 261935900 /nfs/dbraw/zinc/93/59/00/261935900.db2.gz RBHBQEBXCIZBGL-UHFFFAOYSA-N 0 0 279.384 3.511 10 0 CHAERN Cc1ccc([C@@H](C)NCc2noc(C3CCCCC3)n2)o1 ZINC000182602544 261945058 /nfs/dbraw/zinc/94/50/58/261945058.db2.gz ULLCDDCTHZVSTQ-GFCCVEGCSA-N 0 0 289.379 3.870 10 0 CHAERN COc1ccc([C@@H](C)NC(=O)[C@H](C)CC(C)C)cc1OC ZINC000185151794 262043628 /nfs/dbraw/zinc/04/36/28/262043628.db2.gz XFEYMENXCZOUCQ-CHWSQXEVSA-N 0 0 293.407 3.563 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccccc2CC)C12CCOCC2 ZINC000186444526 262094193 /nfs/dbraw/zinc/09/41/93/262094193.db2.gz XNKMOCSLKCAPCL-DLBZAZTESA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cccc(CC)c2)C12CCOCC2 ZINC000186447586 262094210 /nfs/dbraw/zinc/09/42/10/262094210.db2.gz DKGGFUUOLSZMAX-DLBZAZTESA-N 0 0 289.419 3.635 10 0 CHAERN CC(C)C[C@@H](C)Nc1ccccc1N1CCCC1=O ZINC000020147418 262194380 /nfs/dbraw/zinc/19/43/80/262194380.db2.gz HGALMYOPFUJWMU-CYBMUJFWSA-N 0 0 260.381 3.660 10 0 CHAERN CC(C)C(C)(C)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000186874643 262325976 /nfs/dbraw/zinc/32/59/76/262325976.db2.gz XBJDUBAQFZRUTQ-ZDUSSCGKSA-N 0 0 278.396 3.808 10 0 CHAERN CCOC(C)(C)CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000187145574 262384706 /nfs/dbraw/zinc/38/47/06/262384706.db2.gz RKAZUURVTBNEPZ-NSHDSACASA-N 0 0 298.814 3.515 10 0 CHAERN CCc1csc(N[C@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000061894527 262406121 /nfs/dbraw/zinc/40/61/21/262406121.db2.gz NRLUFGHTBIBKHM-SNVBAGLBSA-N 0 0 292.404 3.896 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000126813506 264232743 /nfs/dbraw/zinc/23/27/43/264232743.db2.gz UYFPNRKJVHYAHT-CVEARBPZSA-N 0 0 298.430 3.764 10 0 CHAERN Cc1nnc(N[C@@H](C)c2cccc(Br)c2)s1 ZINC000077188883 264349751 /nfs/dbraw/zinc/34/97/51/264349751.db2.gz WHBURJPRJZYRCT-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000106516370 264931224 /nfs/dbraw/zinc/93/12/24/264931224.db2.gz BNHACVFRANCTBE-GHMZBOCLSA-N 0 0 297.468 3.845 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1C ZINC000116043862 267121088 /nfs/dbraw/zinc/12/10/88/267121088.db2.gz VUNLIMCXIBTSSJ-HNNXBMFYSA-N 0 0 269.344 3.874 10 0 CHAERN Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116045528 267121200 /nfs/dbraw/zinc/12/12/00/267121200.db2.gz NSQIKPNZPDMRGN-HNNXBMFYSA-N 0 0 269.344 3.874 10 0 CHAERN Cc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1C ZINC000116048237 267121280 /nfs/dbraw/zinc/12/12/80/267121280.db2.gz FSSHPVKWYUCNIA-OAHLLOKOSA-N 0 0 269.344 3.874 10 0 CHAERN CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2ccco2)c1C ZINC000116211575 267133685 /nfs/dbraw/zinc/13/36/85/267133685.db2.gz PNNNUMXXNQJAHQ-OAHLLOKOSA-N 0 0 286.375 3.695 10 0 CHAERN O=C(Nc1ccc(F)c(F)c1)N1CCC[C@H]1c1ccco1 ZINC000116475572 267153036 /nfs/dbraw/zinc/15/30/36/267153036.db2.gz ZKWZVKWTAUUMHA-ZDUSSCGKSA-N 0 0 292.285 3.927 10 0 CHAERN O=C(Nc1cc(F)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116475370 267153099 /nfs/dbraw/zinc/15/30/99/267153099.db2.gz UFQIAEHTPIEKFI-CYBMUJFWSA-N 0 0 292.285 3.927 10 0 CHAERN CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117566787 267216060 /nfs/dbraw/zinc/21/60/60/267216060.db2.gz FFWQOUIRZFBOAV-PXAZEXFGSA-N 0 0 297.354 3.589 10 0 CHAERN COc1ccc(C)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117565688 267216714 /nfs/dbraw/zinc/21/67/14/267216714.db2.gz KHJRUHCCNHCVHW-YVEFUNNKSA-N 0 0 297.354 3.507 10 0 CHAERN COc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117646154 267218287 /nfs/dbraw/zinc/21/82/87/267218287.db2.gz LAYUVZGNRNPVJL-SJCJKPOMSA-N 0 0 297.354 3.507 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CCCCC[C@H]21 ZINC000370241679 267302678 /nfs/dbraw/zinc/30/26/78/267302678.db2.gz GEDKCZRVIASLFS-CZUORRHYSA-N 0 0 268.360 3.573 10 0 CHAERN CC[C@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119142356 267303664 /nfs/dbraw/zinc/30/36/64/267303664.db2.gz APBAWMCWSXNXBL-XHDPSFHLSA-N 0 0 278.371 3.643 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119155134 267305256 /nfs/dbraw/zinc/30/52/56/267305256.db2.gz TVBCMLYIBLZECT-MRXNPFEDSA-N 0 0 290.382 3.645 10 0 CHAERN CCN(C(=O)N[C@@H]1CCCc2cc(F)ccc21)C(C)C ZINC000119188429 267306034 /nfs/dbraw/zinc/30/60/34/267306034.db2.gz WJKZIVQBKQKNKQ-OAHLLOKOSA-N 0 0 278.371 3.643 10 0 CHAERN C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000121554294 267686098 /nfs/dbraw/zinc/68/60/98/267686098.db2.gz AKJJSLXXDXVRHP-KWCYVHTRSA-N 0 0 287.334 3.742 10 0 CHAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1cccs1 ZINC000121959429 267781490 /nfs/dbraw/zinc/78/14/90/267781490.db2.gz RZHYMZSBBUGKLU-SRVKXCTJSA-N 0 0 275.373 3.712 10 0 CHAERN CCC(CC)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122055096 267800129 /nfs/dbraw/zinc/80/01/29/267800129.db2.gz LCXVCYVZIZNBOL-CZUORRHYSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1ccc(F)c(C(=O)N2CCC[C@@H]2c2nccs2)c1 ZINC000377253957 268059877 /nfs/dbraw/zinc/05/98/77/268059877.db2.gz DJNRODUAKXXINS-CYBMUJFWSA-N 0 0 290.363 3.568 10 0 CHAERN CC(C)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000042238904 328766481 /nfs/dbraw/zinc/76/64/81/328766481.db2.gz LNKLJYMVLOFOQK-JTQLQIEISA-N 0 0 284.197 3.672 10 0 CHAERN CC(=O)c1ccc(N[C@@H](C)c2ccccc2C)nc1 ZINC000179054762 327798423 /nfs/dbraw/zinc/79/84/23/327798423.db2.gz MMESMIGRQVQDGM-LBPRGKRZSA-N 0 0 254.333 3.766 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063010779 327905282 /nfs/dbraw/zinc/90/52/82/327905282.db2.gz KXYDURJLRPDUAS-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN c1cnn(-c2cccc(N[C@@H]3CCCc4occc43)c2)c1 ZINC000122175929 327925264 /nfs/dbraw/zinc/92/52/64/327925264.db2.gz BOSPJBIAIIONRZ-MRXNPFEDSA-N 0 0 279.343 3.955 10 0 CHAERN O=C(Nc1cc(F)cc(F)c1)c1cccc2c1CCCN2 ZINC000061411242 327946152 /nfs/dbraw/zinc/94/61/52/327946152.db2.gz YRJQGUAMCRCPOJ-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CCc1ccsc1CNc1ncnc2ccccc21 ZINC000094882831 327959029 /nfs/dbraw/zinc/95/90/29/327959029.db2.gz UGQVWKAIJYTASG-UHFFFAOYSA-N 0 0 269.373 3.866 10 0 CHAERN CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000040858633 328021682 /nfs/dbraw/zinc/02/16/82/328021682.db2.gz XINQFHCORGTNRQ-ZDUSSCGKSA-N 0 0 274.408 3.599 10 0 CHAERN CC(C)c1nccnc1N[C@@H]1CCCc2sccc21 ZINC000413235245 328143049 /nfs/dbraw/zinc/14/30/49/328143049.db2.gz QAAVQRFCDPFPJG-GFCCVEGCSA-N 0 0 273.405 3.573 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(F)c(Cl)c2)o1 ZINC000220933275 329204086 /nfs/dbraw/zinc/20/40/86/329204086.db2.gz ATCOEUALEBSAOV-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN C[C@]1(C(=O)Nc2ccccc2O)CCCc2ccccc21 ZINC000101630792 328364061 /nfs/dbraw/zinc/36/40/61/328364061.db2.gz BCUALCNMEPNURK-SFHVURJKSA-N 0 0 281.355 3.625 10 0 CHAERN Oc1cc2ccccc2cc1-c1nc(CC(F)(F)F)no1 ZINC000111689224 328374739 /nfs/dbraw/zinc/37/47/39/328374739.db2.gz CCVOOBDJAOJUEC-UHFFFAOYSA-N 0 0 294.232 3.700 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000112214250 328391505 /nfs/dbraw/zinc/39/15/05/328391505.db2.gz KRZYKBANIMOSHU-JTQLQIEISA-N 0 0 298.789 3.982 10 0 CHAERN CCC1CCC(NC(=O)N[C@@H](C)c2cccc(O)c2)CC1 ZINC000112443215 328437549 /nfs/dbraw/zinc/43/75/49/328437549.db2.gz BESNQAFOHRZDNJ-OPFPJEHXSA-N 0 0 290.407 3.721 10 0 CHAERN OCCCCCOc1ccc(Br)cc1Cl ZINC000051020379 328452024 /nfs/dbraw/zinc/45/20/24/328452024.db2.gz GDYHAKOZMMHCRU-UHFFFAOYSA-N 0 0 293.588 3.644 10 0 CHAERN c1ncc(-c2cccc(NC(C3CC3)C3CC3)c2)o1 ZINC000037779449 326861781 /nfs/dbraw/zinc/86/17/81/326861781.db2.gz FYICVOCIOHXMMO-UHFFFAOYSA-N 0 0 254.333 3.942 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CC=CCC1 ZINC000153208220 326944162 /nfs/dbraw/zinc/94/41/62/326944162.db2.gz UTIGFIBQQAWSQO-BLLLJJGKSA-N 0 0 273.351 3.676 10 0 CHAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cccnc1C ZINC000091495621 327102856 /nfs/dbraw/zinc/10/28/56/327102856.db2.gz OSQNZKVJPPDFBG-KRWDZBQOSA-N 0 0 268.360 3.888 10 0 CHAERN CC[C@H](C)Oc1cccc(NCc2cnn(C)c2C)c1 ZINC000093650232 327132928 /nfs/dbraw/zinc/13/29/28/327132928.db2.gz KWPWPPXYPNVCAZ-LBPRGKRZSA-N 0 0 273.380 3.518 10 0 CHAERN CC(C)c1nnc(CNC(=O)C2(C)CCCCCC2)s1 ZINC000408166551 327175414 /nfs/dbraw/zinc/17/54/14/327175414.db2.gz ZBABPKSBFLFETG-UHFFFAOYSA-N 0 0 295.452 3.638 10 0 CHAERN CC(C)OC[C@H](O)CSc1c(Cl)cccc1Cl ZINC000102663985 327227495 /nfs/dbraw/zinc/22/74/95/327227495.db2.gz IRCYPMJPLCEEJQ-VIFPVBQESA-N 0 0 295.231 3.871 10 0 CHAERN Fc1ccccc1OCCc1nc(-c2ccsc2)no1 ZINC000113705919 328633075 /nfs/dbraw/zinc/63/30/75/328633075.db2.gz DSQISQAZXSGLSA-UHFFFAOYSA-N 0 0 290.319 3.559 10 0 CHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCS[C@@H](C)C1 ZINC000114329423 328644153 /nfs/dbraw/zinc/64/41/53/328644153.db2.gz WJJMMGWRXMCMCN-JSGCOSHPSA-N 0 0 269.454 3.557 10 0 CHAERN COC[C@@H](C)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000103361692 328768004 /nfs/dbraw/zinc/76/80/04/328768004.db2.gz ZHNFKPXTAGVPEF-CQSZACIVSA-N 0 0 289.419 3.584 10 0 CHAERN C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccc2ccccc2c1 ZINC000043633404 328808672 /nfs/dbraw/zinc/80/86/72/328808672.db2.gz ONXMURMYHAGNNS-QWHCGFSZSA-N 0 0 282.387 3.999 10 0 CHAERN Cc1ccc([C@H]2CCCN2c2nc(C)cnc2C)s1 ZINC000302241587 328831877 /nfs/dbraw/zinc/83/18/77/328831877.db2.gz YAJCQCIUDABMEE-CYBMUJFWSA-N 0 0 273.405 3.805 10 0 CHAERN CCOC(=O)[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000194021910 329064981 /nfs/dbraw/zinc/06/49/81/329064981.db2.gz HQJKZHLSUAJOGJ-BBRMVZONSA-N 0 0 287.359 3.543 10 0 CHAERN COc1c(C)ccc(NC(=O)N[C@H](C)CC2CC2)c1C ZINC000171862346 329080703 /nfs/dbraw/zinc/08/07/03/329080703.db2.gz GZSFJYCQMLDBAS-LLVKDONJSA-N 0 0 276.380 3.622 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)C1CCCC1 ZINC000172122890 329081591 /nfs/dbraw/zinc/08/15/91/329081591.db2.gz AEEJVKAMYXHSTG-OCCSQVGLSA-N 0 0 276.380 3.705 10 0 CHAERN Cc1cc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)n1 ZINC000172044232 329083718 /nfs/dbraw/zinc/08/37/18/329083718.db2.gz WWENZHULWIWFQW-YVEFUNNKSA-N 0 0 296.370 3.510 10 0 CHAERN O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccco1 ZINC000172243045 329084086 /nfs/dbraw/zinc/08/40/86/329084086.db2.gz KXKOWOMXWPYVPN-QGZVFWFLSA-N 0 0 295.382 3.675 10 0 CHAERN Fc1ccc2oc(N[C@@H]3CCOc4ccccc43)nc2c1 ZINC000172238043 329084142 /nfs/dbraw/zinc/08/41/42/329084142.db2.gz YVXFDJHXKMGOSQ-GFCCVEGCSA-N 0 0 284.290 3.903 10 0 CHAERN C/C=C/C[S@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000172834641 329139176 /nfs/dbraw/zinc/13/91/76/329139176.db2.gz RCHSELDGMIEFGX-PHXNAMCJSA-N 0 0 295.791 3.820 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173454132 329146948 /nfs/dbraw/zinc/14/69/48/329146948.db2.gz XMFVUWZAUGDNJO-CYBMUJFWSA-N 0 0 293.411 3.827 10 0 CHAERN CC(C)c1nc([C@H]2CCCN2C(=O)C[C@@H](C)C(C)C)no1 ZINC000173439419 329146951 /nfs/dbraw/zinc/14/69/51/329146951.db2.gz CLWZELFMLACVKF-CHWSQXEVSA-N 0 0 293.411 3.539 10 0 CHAERN CCCCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173475543 329147234 /nfs/dbraw/zinc/14/72/34/329147234.db2.gz SKOWZBPBEQPGIY-CYBMUJFWSA-N 0 0 295.452 3.531 10 0 CHAERN Cc1cccc(C)c1NCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000173784687 329152101 /nfs/dbraw/zinc/15/21/01/329152101.db2.gz UHWLDKFQFJHCDX-OAHLLOKOSA-N 0 0 298.386 3.672 10 0 CHAERN CC1(C)C(C(=O)N2CCC[C@@H](c3nccs3)C2)C1(C)C ZINC000174580465 329160166 /nfs/dbraw/zinc/16/01/66/329160166.db2.gz GKQFXCIHDZIRSX-LLVKDONJSA-N 0 0 292.448 3.531 10 0 CHAERN Clc1ncc(CN2CCC[C@@H](c3nccs3)C2)s1 ZINC000175419414 329165725 /nfs/dbraw/zinc/16/57/25/329165725.db2.gz KJLLQIYKKAWCCZ-SECBINFHSA-N 0 0 299.852 3.633 10 0 CHAERN Cc1cscc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000175277705 329167054 /nfs/dbraw/zinc/16/70/54/329167054.db2.gz XCJGCXHNGINBJD-UHFFFAOYSA-N 0 0 283.396 3.986 10 0 CHAERN Cc1csc(C2CCN(C(=O)CCC3CCC3)CC2)n1 ZINC000176385940 329175101 /nfs/dbraw/zinc/17/51/01/329175101.db2.gz KNNQTZYHTOMXFO-UHFFFAOYSA-N 0 0 292.448 3.738 10 0 CHAERN CC[C@@H](NC(=O)N1CCC2(CCC2)C1)c1cccs1 ZINC000176849762 329179271 /nfs/dbraw/zinc/17/92/71/329179271.db2.gz NGYBHEQSRKCMGO-GFCCVEGCSA-N 0 0 278.421 3.785 10 0 CHAERN Cc1csc([C@H]2CCCN(c3ccncc3Cl)C2)n1 ZINC000176886658 329179464 /nfs/dbraw/zinc/17/94/64/329179464.db2.gz OXWFFQDQEXDNBX-NSHDSACASA-N 0 0 293.823 3.884 10 0 CHAERN CCCC(CCC)[S@@](=O)Cc1nccn1C(C)C ZINC000177109210 329180940 /nfs/dbraw/zinc/18/09/40/329180940.db2.gz OGBPPPYUJCSCOU-SFHVURJKSA-N 0 0 270.442 3.682 10 0 CHAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422967 329208099 /nfs/dbraw/zinc/20/80/99/329208099.db2.gz WGSINSYBUDGCSD-XJKSGUPXSA-N 0 0 295.411 3.978 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2ccccn2)n1 ZINC000179603989 329210497 /nfs/dbraw/zinc/21/04/97/329210497.db2.gz SGOQBCMNRYYWEU-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN COCCC1(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CCC1 ZINC000180448703 329217206 /nfs/dbraw/zinc/21/72/06/329217206.db2.gz JBUUUDNQIGSXGQ-HUUCEWRRSA-N 0 0 295.467 3.772 10 0 CHAERN COc1c(C)cc(C(=O)N2CCC[C@H]2c2ccco2)cc1C ZINC000180183573 329218159 /nfs/dbraw/zinc/21/81/59/329218159.db2.gz RLBAZRJQPYPAQT-HNNXBMFYSA-N 0 0 299.370 3.882 10 0 CHAERN CSCCCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180219250 329218634 /nfs/dbraw/zinc/21/86/34/329218634.db2.gz JUNQIVMJABEKLC-CHWSQXEVSA-N 0 0 271.470 3.708 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180616813 329221362 /nfs/dbraw/zinc/22/13/62/329221362.db2.gz OYSKFSANDYVWIF-VXGBXAGGSA-N 0 0 294.826 3.814 10 0 CHAERN CC(=O)c1ccc(N2CC=C(c3ccccc3)CC2)nc1 ZINC000180961874 329224478 /nfs/dbraw/zinc/22/44/78/329224478.db2.gz XTKOKMRXTRTWTG-UHFFFAOYSA-N 0 0 278.355 3.578 10 0 CHAERN CC(=O)c1ccc(N[C@@H]2CCCc3cc(F)ccc32)nc1 ZINC000181245842 329227493 /nfs/dbraw/zinc/22/74/93/329227493.db2.gz AQWNRHGJMZUUGW-MRXNPFEDSA-N 0 0 284.334 3.913 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccco1)[C@@H](C)C2 ZINC000181254520 329227908 /nfs/dbraw/zinc/22/79/08/329227908.db2.gz NGAHTZYNADBZEE-SCLBCKFNSA-N 0 0 283.371 3.570 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1nccs1)[C@@H](C)C2 ZINC000181332284 329231959 /nfs/dbraw/zinc/23/19/59/329231959.db2.gz DNIWIEHMXQGQEU-GWCFXTLKSA-N 0 0 287.388 3.507 10 0 CHAERN Cc1nn(-c2ccccc2)cc1Nc1ccnc(C2CC2)n1 ZINC000182805020 329242125 /nfs/dbraw/zinc/24/21/25/329242125.db2.gz WFWXNXNRLKPKNB-UHFFFAOYSA-N 0 0 291.358 3.592 10 0 CHAERN CC(C)OCCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000182754785 329244308 /nfs/dbraw/zinc/24/43/08/329244308.db2.gz GBIIJDVEIPPLKH-UHFFFAOYSA-N 0 0 293.432 3.569 10 0 CHAERN CCc1nc(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000183714200 329249787 /nfs/dbraw/zinc/24/97/87/329249787.db2.gz AUPGAYYCFBTDTG-RYUDHWBXSA-N 0 0 294.464 3.784 10 0 CHAERN C[C@H](CCc1ccco1)Nc1cccc2c1OCC[C@@H]2O ZINC000184567673 329259899 /nfs/dbraw/zinc/25/98/99/329259899.db2.gz GSAULQRYVOJBFJ-WBMJQRKESA-N 0 0 287.359 3.529 10 0 CHAERN C[C@@H]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000185951695 329333091 /nfs/dbraw/zinc/33/30/91/329333091.db2.gz NVAXEIFXXSEAPP-MGPQQGTHSA-N 0 0 261.365 3.769 10 0 CHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000185942547 329333167 /nfs/dbraw/zinc/33/31/67/329333167.db2.gz SEROAOFFZZEICE-JKSUJKDBSA-N 0 0 287.378 3.734 10 0 CHAERN CCC[C@@H](CC)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186478786 329343027 /nfs/dbraw/zinc/34/30/27/329343027.db2.gz OTAJRQANXVLOKT-OCCSQVGLSA-N 0 0 295.452 3.877 10 0 CHAERN CCC[C@H](CC)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186478803 329343047 /nfs/dbraw/zinc/34/30/47/329343047.db2.gz OTAJRQANXVLOKT-JSGCOSHPSA-N 0 0 295.452 3.877 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000187762878 329360449 /nfs/dbraw/zinc/36/04/49/329360449.db2.gz YYMUXWWPBDSSBK-CYBMUJFWSA-N 0 0 289.354 3.582 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000187763041 329360466 /nfs/dbraw/zinc/36/04/66/329360466.db2.gz VWWAORYJDTULDH-CQSZACIVSA-N 0 0 283.375 3.587 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CCCOc2c(Cl)cccc21 ZINC000187777844 329360643 /nfs/dbraw/zinc/36/06/43/329360643.db2.gz MCUKPDPNCZRGEC-ZDUSSCGKSA-N 0 0 291.782 3.708 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)co1 ZINC000188353319 329366346 /nfs/dbraw/zinc/36/63/46/329366346.db2.gz VXQYXFZNWNIWJH-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NC2(Cc3ccccc3)CC2)o1 ZINC000188217725 329366813 /nfs/dbraw/zinc/36/68/13/329366813.db2.gz ZPKDCUMPTPYDOH-AWEZNQCLSA-N 0 0 298.386 3.724 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)NC2(Cc3ccccc3)CC2)o1 ZINC000188217702 329366821 /nfs/dbraw/zinc/36/68/21/329366821.db2.gz ZPKDCUMPTPYDOH-CQSZACIVSA-N 0 0 298.386 3.724 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)co1 ZINC000188759156 329373078 /nfs/dbraw/zinc/37/30/78/329373078.db2.gz QAESADHRQOOIOO-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN Cc1cnc([C@H](C)Nc2nccc(C)c2Br)o1 ZINC000231747146 329378708 /nfs/dbraw/zinc/37/87/08/329378708.db2.gz KYWQHTSVYIGRKY-VIFPVBQESA-N 0 0 296.168 3.622 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCc3c(O)cccc32)o1 ZINC000190121742 329392133 /nfs/dbraw/zinc/39/21/33/329392133.db2.gz XLIKEPVJCPVWBM-SWLSCSKDSA-N 0 0 299.370 3.591 10 0 CHAERN O=C(C1CC=CC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190266287 329394293 /nfs/dbraw/zinc/39/42/93/329394293.db2.gz YMECRGQLSOYRED-ZDUSSCGKSA-N 0 0 291.341 3.637 10 0 CHAERN O=C(CCC1CCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898479 329543152 /nfs/dbraw/zinc/54/31/52/329543152.db2.gz GOYNXWTWTDPANA-MRXNPFEDSA-N 0 0 289.423 3.824 10 0 CHAERN O=C(CCCc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116046119 329544313 /nfs/dbraw/zinc/54/43/13/329544313.db2.gz NIETZRIMZQHQCW-INIZCTEOSA-N 0 0 283.371 3.966 10 0 CHAERN Cc1ccccc1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116522594 329545285 /nfs/dbraw/zinc/54/52/85/329545285.db2.gz SLDAFSFRTQZXQZ-HNNXBMFYSA-N 0 0 284.359 3.635 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2c(F)cccc2F)o1 ZINC000043265737 329580523 /nfs/dbraw/zinc/58/05/23/329580523.db2.gz UWBNFUWDYGOHMN-SECBINFHSA-N 0 0 280.274 3.749 10 0 CHAERN COc1cccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c1 ZINC000127541720 329600676 /nfs/dbraw/zinc/60/06/76/329600676.db2.gz HXZIHYXYSSZWQM-INIZCTEOSA-N 0 0 299.370 3.964 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)sc1C ZINC000046641788 329610976 /nfs/dbraw/zinc/61/09/76/329610976.db2.gz MMCFONKIWMJPAR-CYBMUJFWSA-N 0 0 287.384 3.619 10 0 CHAERN CSCCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000130717679 329627400 /nfs/dbraw/zinc/62/74/00/329627400.db2.gz YTBNTNCEMDIKMK-UHFFFAOYSA-N 0 0 289.444 3.836 10 0 CHAERN CCC[C@H](CC)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000130849924 329629029 /nfs/dbraw/zinc/62/90/29/329629029.db2.gz MUVYZPZZYXYYSZ-WFASDCNBSA-N 0 0 291.370 3.775 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2F)o1 ZINC000131025235 329630942 /nfs/dbraw/zinc/63/09/42/329630942.db2.gz BDIUWDZZPMCGOJ-SECBINFHSA-N 0 0 281.714 3.872 10 0 CHAERN O=C(NCc1cccs1)N1CC=C(c2ccccc2)CC1 ZINC000053248918 329663671 /nfs/dbraw/zinc/66/36/71/329663671.db2.gz CEGHECZFPDSOKZ-UHFFFAOYSA-N 0 0 298.411 3.747 10 0 CHAERN Cc1nccc(N[C@H](C)c2cccc(Br)c2)n1 ZINC000054935984 329673001 /nfs/dbraw/zinc/67/30/01/329673001.db2.gz YHXADYBAUPCIMM-SECBINFHSA-N 0 0 292.180 3.721 10 0 CHAERN Cc1cc(C(=O)N[C@H]2COc3ccccc32)c(C)n1C(C)C ZINC000058970091 329679149 /nfs/dbraw/zinc/67/91/49/329679149.db2.gz GQHUNUFUCDRLBH-INIZCTEOSA-N 0 0 298.386 3.549 10 0 CHAERN Cc1cccc(C2=CCN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)c1 ZINC000245619203 329714420 /nfs/dbraw/zinc/71/44/20/329714420.db2.gz QNZRXWHTIYBNGB-PIIMJCKOSA-N 0 0 281.399 3.657 10 0 CHAERN COc1c(F)cc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1F ZINC000245650558 329719865 /nfs/dbraw/zinc/71/98/65/329719865.db2.gz ATKPCINZPIONMQ-VCTAVGKDSA-N 0 0 297.345 3.589 10 0 CHAERN Clc1ccccc1CN[C@H]1COc2ccccc21 ZINC000070070272 329855006 /nfs/dbraw/zinc/85/50/06/329855006.db2.gz JUJJRBDRYVCQEU-AWEZNQCLSA-N 0 0 259.736 3.563 10 0 CHAERN Cc1c(F)cccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000073393353 329860759 /nfs/dbraw/zinc/86/07/59/329860759.db2.gz PALUTQLVEZZTTM-QFYYESIMSA-N 0 0 285.318 3.637 10 0 CHAERN C[C@@H]1CCN(C(=O)c2ccc(C=O)cc2)[C@@H](c2ccco2)C1 ZINC000075389535 329866514 /nfs/dbraw/zinc/86/65/14/329866514.db2.gz OJHBJNYYZTYTCF-CZUORRHYSA-N 0 0 297.354 3.706 10 0 CHAERN C[C@@H]1C[C@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000247177969 329877122 /nfs/dbraw/zinc/87/71/22/329877122.db2.gz YZCZMXUUPKECLU-YUELXQCFSA-N 0 0 285.387 3.595 10 0 CHAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000247177955 329877263 /nfs/dbraw/zinc/87/72/63/329877263.db2.gz YZCZMXUUPKECLU-SNPRPXQTSA-N 0 0 285.387 3.595 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)C(C)C ZINC000079411362 330033850 /nfs/dbraw/zinc/03/38/50/330033850.db2.gz KYTLWOMDQAHXTI-SNVBAGLBSA-N 0 0 280.437 3.883 10 0 CHAERN Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CC(C)C)C(=O)[O-])[C@H](C)C2 ZINC000263057132 330041305 /nfs/dbraw/zinc/04/13/05/330041305.db2.gz LVNDQMVLJICINF-FRFSOERESA-N 0 0 289.419 3.565 10 0 CHAERN CCC(CC)(C[NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263085799 330042801 /nfs/dbraw/zinc/04/28/01/330042801.db2.gz SMIOAJSZDSTWKT-GFCCVEGCSA-N 0 0 297.826 3.752 10 0 CHAERN CCCC[C@@H]([NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263396044 330054074 /nfs/dbraw/zinc/05/40/74/330054074.db2.gz GQBZLBBYKDZGPT-BXUZGUMPSA-N 0 0 283.799 3.504 10 0 CHAERN COCc1ccccc1N[C@H](C)CCc1ccc(O)cc1 ZINC000036939031 330317517 /nfs/dbraw/zinc/31/75/17/330317517.db2.gz OLCLOIDGHDLDOJ-CQSZACIVSA-N 0 0 285.387 3.972 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000107330235 330348918 /nfs/dbraw/zinc/34/89/18/330348918.db2.gz HLWZHWTZZCKMLG-SNVBAGLBSA-N 0 0 286.778 3.665 10 0 CHAERN C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000046743137 330355549 /nfs/dbraw/zinc/35/55/49/330355549.db2.gz HFJFUAJLDGPRNY-DYVFJYSZSA-N 0 0 283.371 3.586 10 0 CHAERN CCn1ccnc1CSCc1ccccc1Cl ZINC000083631574 330358617 /nfs/dbraw/zinc/35/86/17/330358617.db2.gz PGQQWAAPMOXGQX-UHFFFAOYSA-N 0 0 266.797 3.990 10 0 CHAERN C[C@H](NC(=O)[C@H]1CC1(C)C)c1ccc(F)c(Cl)c1 ZINC000119617499 330377451 /nfs/dbraw/zinc/37/74/51/330377451.db2.gz SPDQQXVNUAPIRW-WCBMZHEXSA-N 0 0 269.747 3.702 10 0 CHAERN Fc1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 ZINC000536937688 330382023 /nfs/dbraw/zinc/38/20/23/330382023.db2.gz DLRJSQOPOBQYQM-UHFFFAOYSA-N 0 0 276.620 3.955 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536952118 330382472 /nfs/dbraw/zinc/38/24/72/330382472.db2.gz BFVJIROVRMRTLQ-XJKSGUPXSA-N 0 0 281.396 3.559 10 0 CHAERN Fc1cccc(-c2cc(C(F)(F)F)c(Cl)nn2)c1 ZINC000536957579 330383475 /nfs/dbraw/zinc/38/34/75/330383475.db2.gz BXOQYANRNYCOEF-UHFFFAOYSA-N 0 0 276.620 3.955 10 0 CHAERN C[C@H](NC(=O)N(C)CCC1CC1)c1ccc(F)c(Cl)c1 ZINC000120335867 330387091 /nfs/dbraw/zinc/38/70/91/330387091.db2.gz HRGKXENQOHINNL-JTQLQIEISA-N 0 0 298.789 3.982 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)O1 ZINC000125333234 330397579 /nfs/dbraw/zinc/39/75/79/330397579.db2.gz LECUIYYQQSFUFU-KDOFPFPSSA-N 0 0 295.382 3.783 10 0 CHAERN CCCn1ccc(CN[C@@H](CC)c2nccs2)c1 ZINC000091015879 330397906 /nfs/dbraw/zinc/39/79/06/330397906.db2.gz VFSDGBAHVBZFFJ-ZDUSSCGKSA-N 0 0 263.410 3.596 10 0 CHAERN CCc1ncc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000453389913 331127141 /nfs/dbraw/zinc/12/71/41/331127141.db2.gz PWCBRXMMXIAHTM-OAHLLOKOSA-N 0 0 274.339 3.543 10 0 CHAERN CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2cncs2)c1 ZINC000164930017 331305466 /nfs/dbraw/zinc/30/54/66/331305466.db2.gz VKZFTJLURBYMIG-NSHDSACASA-N 0 0 289.404 3.973 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1cncs1 ZINC000165018346 331305587 /nfs/dbraw/zinc/30/55/87/331305587.db2.gz YIDVCMOYIWFCID-SSDOTTSWSA-N 0 0 284.287 3.638 10 0 CHAERN CCCC[C@@H](CC)CNC(=O)c1cccc2c1CCCN2 ZINC000165738753 331306351 /nfs/dbraw/zinc/30/63/51/331306351.db2.gz VGZAYLVFLZFBRG-CQSZACIVSA-N 0 0 288.435 3.991 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)/C=C\c2ccc[nH]2)o1 ZINC000491957777 332377085 /nfs/dbraw/zinc/37/70/85/332377085.db2.gz CIUTUBSHSNFKGU-WKTRQSJXSA-N 0 0 284.359 3.683 10 0 CHAERN Cc1cccc(C(=O)N[C@H](C)COCc2ccccc2)c1C ZINC000172962369 332955373 /nfs/dbraw/zinc/95/53/73/332955373.db2.gz YPSPZHJJTNJZAU-OAHLLOKOSA-N 0 0 297.398 3.639 10 0 CHAERN Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1C ZINC000306504985 333007385 /nfs/dbraw/zinc/00/73/85/333007385.db2.gz RZQCYMYQCYOQGT-UHFFFAOYSA-N 0 0 277.371 3.797 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CC=CCC2)o1 ZINC000175087783 333014534 /nfs/dbraw/zinc/01/45/34/333014534.db2.gz NUIBXJAUGDEDJJ-HUUCEWRRSA-N 0 0 288.391 3.933 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)sn1 ZINC000176416635 333042032 /nfs/dbraw/zinc/04/20/32/333042032.db2.gz MNIBAZMNWGSJRY-NWDGAFQWSA-N 0 0 264.394 3.606 10 0 CHAERN CCc1oc(C(=O)N[C@@H](C)c2cccs2)cc1C ZINC000177719852 333062296 /nfs/dbraw/zinc/06/22/96/333062296.db2.gz RLOHVEKMRHXTJM-JTQLQIEISA-N 0 0 263.362 3.703 10 0 CHAERN CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000311801649 333072863 /nfs/dbraw/zinc/07/28/63/333072863.db2.gz UJHBQRXGXLURKY-YPMHNXCESA-N 0 0 264.413 3.850 10 0 CHAERN Cc1nc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(C)s1 ZINC000178914676 333078383 /nfs/dbraw/zinc/07/83/83/333078383.db2.gz ZQGCNYGQFGUMTH-VIFPVBQESA-N 0 0 292.379 3.698 10 0 CHAERN Cc1cnc([C@@H](C)N[C@@H]2CCCc3ccccc32)o1 ZINC000220881909 333170034 /nfs/dbraw/zinc/17/00/34/333170034.db2.gz CMSDHVOEGNBLHL-IUODEOHRSA-N 0 0 256.349 3.711 10 0 CHAERN CCOc1ccccc1[C@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000220927480 333170834 /nfs/dbraw/zinc/17/08/34/333170834.db2.gz XIJAMVHSWFUUGS-STQMWFEESA-N 0 0 274.364 3.794 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000189493338 333193654 /nfs/dbraw/zinc/19/36/54/333193654.db2.gz GFRDRKHJYRRLAK-DGCLKSJQSA-N 0 0 287.325 3.712 10 0 CHAERN CSC1(C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000189911120 333200345 /nfs/dbraw/zinc/20/03/45/333200345.db2.gz FNSAYBFJONELBI-LBPRGKRZSA-N 0 0 285.412 3.913 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190366664 333206131 /nfs/dbraw/zinc/20/61/31/333206131.db2.gz MGYRAUATTXCYOO-WDEREUQCSA-N 0 0 294.361 3.651 10 0 CHAERN CC(C)=CCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000190597584 333208758 /nfs/dbraw/zinc/20/87/58/333208758.db2.gz PGNUEBQXYMONAU-AWEZNQCLSA-N 0 0 276.380 3.791 10 0 CHAERN CCC1CCC(NC(=O)c2snnc2C(C)(C)C)CC1 ZINC000191364580 333218709 /nfs/dbraw/zinc/21/87/09/333218709.db2.gz ZYCQXERUYWINHX-UHFFFAOYSA-N 0 0 295.452 3.534 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000191835626 333225996 /nfs/dbraw/zinc/22/59/96/333225996.db2.gz RFNXFWYHLMBTHA-OLZOCXBDSA-N 0 0 275.392 3.738 10 0 CHAERN C[C@H]1CCCC[C@@]1(O)c1ccc(Br)cc1 ZINC000521401041 333250006 /nfs/dbraw/zinc/25/00/06/333250006.db2.gz FHOQYJIWJKHJRR-GWCFXTLKSA-N 0 0 269.182 3.847 10 0 CHAERN C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc2ccccc2c1 ZINC000193852313 333259379 /nfs/dbraw/zinc/25/93/79/333259379.db2.gz SSHHYPWPYLCNII-DEYYWGMASA-N 0 0 297.398 3.690 10 0 CHAERN Cc1cc(OCc2nnc(C3CC3)n2C)cc(C)c1Cl ZINC000194693878 333275586 /nfs/dbraw/zinc/27/55/86/333275586.db2.gz IKJZEFZDHCTYCY-UHFFFAOYSA-N 0 0 291.782 3.542 10 0 CHAERN CCCc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194727885 333276495 /nfs/dbraw/zinc/27/64/95/333276495.db2.gz GMMDKZNPTFLCBT-MRXNPFEDSA-N 0 0 296.370 3.894 10 0 CHAERN COCCCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000194736937 333276715 /nfs/dbraw/zinc/27/67/15/333276715.db2.gz ZKPMMOVAYCMXHE-AWEZNQCLSA-N 0 0 277.408 3.804 10 0 CHAERN Cc1ccc(CCCC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194878884 333278466 /nfs/dbraw/zinc/27/84/66/333278466.db2.gz SGNZZIPNHPXHSG-KRWDZBQOSA-N 0 0 295.382 3.568 10 0 CHAERN CCc1ccsc1CNc1ccnc(Cl)c1 ZINC000229736462 333309044 /nfs/dbraw/zinc/30/90/44/333309044.db2.gz IUYIDPIFOQRQNF-UHFFFAOYSA-N 0 0 252.770 3.971 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000230198249 333315554 /nfs/dbraw/zinc/31/55/54/333315554.db2.gz JQBCCFQKUBIORZ-PRHODGIISA-N 0 0 289.272 3.763 10 0 CHAERN Cc1cnc([C@@H](C)Nc2cc(C(F)(F)F)ccn2)o1 ZINC000235237617 333366983 /nfs/dbraw/zinc/36/69/83/333366983.db2.gz AIPBLGLGFWFKQK-MRVPVSSYSA-N 0 0 271.242 3.570 10 0 CHAERN CC[C@H](Nc1nc(C)nc2sc(C)c(C)c21)C(C)(C)O ZINC000338788144 335138649 /nfs/dbraw/zinc/13/86/49/335138649.db2.gz HFPPVDAFHOYHJM-NSHDSACASA-N 0 0 293.436 3.578 10 0 CHAERN CCCC[C@H](Nc1cnn(CCOC)c1)c1ccccc1 ZINC000037305441 333531547 /nfs/dbraw/zinc/53/15/47/333531547.db2.gz VTDCLBHEQJQJDT-KRWDZBQOSA-N 0 0 287.407 3.873 10 0 CHAERN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1 ZINC000037635289 333535747 /nfs/dbraw/zinc/53/57/47/333535747.db2.gz DROCGEQJLQOQCT-JKSUJKDBSA-N 0 0 288.435 3.820 10 0 CHAERN C[C@@H](NC(=O)[C@@H](C)SC1CCCC1)c1ccccc1 ZINC000066276153 333619021 /nfs/dbraw/zinc/61/90/21/333619021.db2.gz XEFKWWDQQGROHC-CHWSQXEVSA-N 0 0 277.433 3.928 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)NCc2ccco2)c2ccccc21 ZINC000132827400 334006689 /nfs/dbraw/zinc/00/66/89/334006689.db2.gz KMVYUVWHRYVRJF-LRDDRELGSA-N 0 0 284.359 3.717 10 0 CHAERN Cc1cc(C(=O)Nc2ccc3c(c2)CCN3)ccc1Cl ZINC000135221593 334120051 /nfs/dbraw/zinc/12/00/51/334120051.db2.gz ATOOBZDAVSWNAV-UHFFFAOYSA-N 0 0 286.762 3.869 10 0 CHAERN CC(C)(C)[C@H]1CCCN(C(=O)CNc2ccccc2)CC1 ZINC000079341312 334152098 /nfs/dbraw/zinc/15/20/98/334152098.db2.gz WSEIGVOSCLNUAY-HNNXBMFYSA-N 0 0 288.435 3.773 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(NC(C)=O)c(OC)c2)C1 ZINC000080444401 334171498 /nfs/dbraw/zinc/17/14/98/334171498.db2.gz FYBIFUOXDHMKBI-QWHCGFSZSA-N 0 0 276.380 3.644 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCC2CC2)cc1 ZINC000081022499 334176462 /nfs/dbraw/zinc/17/64/62/334176462.db2.gz VPNBJMAXFWBHBJ-DLBZAZTESA-N 0 0 271.404 3.830 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000246929098 334272192 /nfs/dbraw/zinc/27/21/92/334272192.db2.gz NKUVBDWKJJVJMM-VBNZEHGJSA-N 0 0 259.393 3.828 10 0 CHAERN CC[C@H](C)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000245881483 334222723 /nfs/dbraw/zinc/22/27/23/334222723.db2.gz UNAYREVXZWTENK-QWHCGFSZSA-N 0 0 296.480 3.860 10 0 CHAERN C[C@H]1COCC[C@H]1Nc1cc(Cl)cc2cccnc21 ZINC000311527254 334224299 /nfs/dbraw/zinc/22/42/99/334224299.db2.gz XGCJYQBUSBSUHW-GXFFZTMASA-N 0 0 276.767 3.725 10 0 CHAERN CC1(C)C[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c2ccccc2O1 ZINC000245977835 334226406 /nfs/dbraw/zinc/22/64/06/334226406.db2.gz CICHPGPRJCBCTR-UICACZKSSA-N 0 0 299.414 3.841 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246485378 334259759 /nfs/dbraw/zinc/25/97/59/334259759.db2.gz ASFNSKDOBNBGPN-ZOWXZIJZSA-N 0 0 293.357 3.763 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246560634 334264344 /nfs/dbraw/zinc/26/43/44/334264344.db2.gz DWPYLMJIRPKQHC-TUAOUCFPSA-N 0 0 294.361 3.841 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)s1 ZINC000246616805 334265352 /nfs/dbraw/zinc/26/53/52/334265352.db2.gz LTJSOKPGEBMUQT-JULQROHOSA-N 0 0 295.452 3.636 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2[C@H](C)CC[C@H]2C)cc1F ZINC000246676839 334266844 /nfs/dbraw/zinc/26/68/44/334266844.db2.gz XMBURTAZPGHOEA-UPJWGTAASA-N 0 0 278.371 3.778 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000246761184 334269087 /nfs/dbraw/zinc/26/90/87/334269087.db2.gz QMZWOVPPWPGWML-ILXRZTDVSA-N 0 0 275.392 3.520 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C)cc1 ZINC000246810298 334269942 /nfs/dbraw/zinc/26/99/42/334269942.db2.gz LQEUXZIQFPCVEX-JQFCIGGWSA-N 0 0 271.404 3.924 10 0 CHAERN CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000247536418 334284776 /nfs/dbraw/zinc/28/47/76/334284776.db2.gz PZNXAZUSUMJSPU-XQQFMLRXSA-N 0 0 264.369 3.561 10 0 CHAERN FC1(F)CCC[C@H](CN2CCNc3ccccc32)C1 ZINC000261558968 334295418 /nfs/dbraw/zinc/29/54/18/334295418.db2.gz XGHORMPKLMVJMR-LBPRGKRZSA-N 0 0 266.335 3.744 10 0 CHAERN CC[C@H](C)N(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000248417093 334300770 /nfs/dbraw/zinc/30/07/70/334300770.db2.gz QRIVSSIYWZLFRF-WWGRRREGSA-N 0 0 274.408 3.668 10 0 CHAERN CC[C@@H]1[C@H](C)CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000248479520 334303729 /nfs/dbraw/zinc/30/37/29/334303729.db2.gz QLPYXUWGKZVKAZ-YGSHXTJESA-N 0 0 293.357 3.715 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@@H]1CCC[C@H]1C ZINC000086674149 334314603 /nfs/dbraw/zinc/31/46/03/334314603.db2.gz AKRLPUKSUBDJST-ZWNOBZJWSA-N 0 0 257.337 3.646 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCSCC[C@H]2C)CC(C)(C)C1 ZINC000248841845 334319366 /nfs/dbraw/zinc/31/93/66/334319366.db2.gz LSYLIEKGWNUNRN-MCIONIFRSA-N 0 0 283.481 3.803 10 0 CHAERN Cc1ccc(/C=C\CC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000255042387 334505845 /nfs/dbraw/zinc/50/58/45/334505845.db2.gz SFRBVIMIDIVTFV-VGOKWCNXSA-N 0 0 293.366 3.648 10 0 CHAERN Cc1cc(Cl)ccc1C(=O)N[C@H]1COc2ccccc21 ZINC000155947448 334732304 /nfs/dbraw/zinc/73/23/04/334732304.db2.gz XELOBENMHGNZSO-AWEZNQCLSA-N 0 0 287.746 3.512 10 0 CHAERN Cc1cc(N(C)C)cc(C)c1NC(=O)N[C@@H](C)C(C)C ZINC000156405368 334741866 /nfs/dbraw/zinc/74/18/66/334741866.db2.gz XBHBNJLNECDCOS-ZDUSSCGKSA-N 0 0 277.412 3.535 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000157646551 334779034 /nfs/dbraw/zinc/77/90/34/334779034.db2.gz DXOJFUCLHFXVKX-MRVPVSSYSA-N 0 0 276.163 3.523 10 0 CHAERN CCC(CC)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157896120 334787145 /nfs/dbraw/zinc/78/71/45/334787145.db2.gz RHWSGPDUAXAZQB-HNNXBMFYSA-N 0 0 263.356 3.756 10 0 CHAERN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000158513860 334803917 /nfs/dbraw/zinc/80/39/17/334803917.db2.gz RRKPVAZVASIQCR-HZPDHXFCSA-N 0 0 275.392 3.763 10 0 CHAERN Cc1nc2ccccc2nc1CNc1cc(F)ccc1F ZINC000176264328 335255504 /nfs/dbraw/zinc/25/55/04/335255504.db2.gz HMDSOOJMRBDURT-UHFFFAOYSA-N 0 0 285.297 3.829 10 0 CHAERN Cc1ccc(SCc2nnc(C(C)C)n2C)cc1 ZINC000194658998 336036406 /nfs/dbraw/zinc/03/64/06/336036406.db2.gz FBJYQBXTNHGUGW-UHFFFAOYSA-N 0 0 261.394 3.539 10 0 CHAERN CCNc1ccc(CSc2ccccc2O)cn1 ZINC000050839682 520303623 /nfs/dbraw/zinc/30/36/23/520303623.db2.gz PONKDELFKWCTQO-UHFFFAOYSA-N 0 0 260.362 3.511 10 0 CHAERN CCC[C@@H](CC)Nc1ccccc1S(=O)(=O)CCC ZINC000050405716 520688839 /nfs/dbraw/zinc/68/88/39/520688839.db2.gz UIOPGDZPNUJLFG-CYBMUJFWSA-N 0 0 283.437 3.861 10 0 CHAERN Cc1ccc(CN(C)c2nnc(C(C)C)s2)cc1F ZINC000302662434 533882171 /nfs/dbraw/zinc/88/21/71/533882171.db2.gz FFKNSMOVBZCREP-UHFFFAOYSA-N 0 0 279.384 3.745 10 0 CHAERN Cc1ccc(-c2nc(C(C)(C)C3CCC3)no2)nc1C ZINC000333848319 534209460 /nfs/dbraw/zinc/20/94/60/534209460.db2.gz MUVVTJGJHWFXIL-UHFFFAOYSA-N 0 0 271.364 3.826 10 0 CHAERN CC(C)(C)CCN1CCSc2ccc(N)cc21 ZINC000049255006 518649214 /nfs/dbraw/zinc/64/92/14/518649214.db2.gz JVCPESDLNVNOCQ-UHFFFAOYSA-N 0 0 250.411 3.617 10 0 CHAERN CC(C)(C)SCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000134097089 518907690 /nfs/dbraw/zinc/90/76/90/518907690.db2.gz MMBSMKUIXOVIMH-CYBMUJFWSA-N 0 0 293.432 3.548 10 0 CHAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)c1cncc(F)c1 ZINC000049576926 518973047 /nfs/dbraw/zinc/97/30/47/518973047.db2.gz AKUYZRVPDRKIAB-UKRRQHHQSA-N 0 0 251.345 3.645 10 0 CHAERN CC(C)(C)c1nc2cc(N)ccc2n1[C@@H]1CC1(C)C ZINC000052854026 519105456 /nfs/dbraw/zinc/10/54/56/519105456.db2.gz OACMJWDFGTYARC-CYBMUJFWSA-N 0 0 257.381 3.887 10 0 CHAERN CC(C)C[C@H](C)N(C)c1cccc(Cl)c1C(N)=S ZINC000052907094 519312061 /nfs/dbraw/zinc/31/20/61/519312061.db2.gz BWVQHPDBEPTZSN-JTQLQIEISA-N 0 0 284.856 3.845 10 0 CHAERN CC(C)Cc1noc(N)c1-c1ccc(F)cc1Cl ZINC000062609955 519478948 /nfs/dbraw/zinc/47/89/48/519478948.db2.gz KGXUPMJDIKJXFU-UHFFFAOYSA-N 0 0 268.719 3.915 10 0 CHAERN CC(C)CCN(C)c1nc2c(s1)[C@@H](O)CC(C)(C)C2 ZINC000054928299 519651301 /nfs/dbraw/zinc/65/13/01/519651301.db2.gz QSGBBXVTZIOQBT-LBPRGKRZSA-N 0 0 282.453 3.631 10 0 CHAERN CC(C)C[C@@H](C)Oc1cccc(Cl)c1C(N)=S ZINC000052908281 519774191 /nfs/dbraw/zinc/77/41/91/519774191.db2.gz HVCQWMTXFAPUOL-SECBINFHSA-N 0 0 271.813 3.788 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1cc(-c2ccccc2)on1 ZINC000156265423 519812837 /nfs/dbraw/zinc/81/28/37/519812837.db2.gz TXVWNFGIUJVHLT-NSHDSACASA-N 0 0 273.336 3.508 10 0 CHAERN CCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000154043255 520054552 /nfs/dbraw/zinc/05/45/52/520054552.db2.gz HDUUHESZIMCTAA-HOTGVXAUSA-N 0 0 272.392 3.651 10 0 CHAERN CCN[C@@H](c1nc(C)cs1)c1cc(F)c(F)c(F)c1 ZINC000062719653 520114887 /nfs/dbraw/zinc/11/48/87/520114887.db2.gz VUFKZVVKGHZMGP-GFCCVEGCSA-N 0 0 286.322 3.568 10 0 CHAERN CCCNc1c(F)cccc1C(=O)NC(CC)CC ZINC000054205911 520128327 /nfs/dbraw/zinc/12/83/27/520128327.db2.gz NGXDLEUUXMWVCN-UHFFFAOYSA-N 0 0 266.360 3.566 10 0 CHAERN CCCNc1cc(C(C)(C)C)nc(-c2ccco2)n1 ZINC000050865020 520133050 /nfs/dbraw/zinc/13/30/50/520133050.db2.gz OHWRHBRZTQFRKU-UHFFFAOYSA-N 0 0 259.353 3.856 10 0 CHAERN CCCNc1cc(CC)nc(-c2ccccc2C)n1 ZINC000050851344 520135571 /nfs/dbraw/zinc/13/55/71/520135571.db2.gz MLBUPKQROCHBNL-UHFFFAOYSA-N 0 0 255.365 3.836 10 0 CHAERN CCNc1c2ccc(F)c(F)c2nc2c1CCCC2 ZINC000050870960 520256014 /nfs/dbraw/zinc/25/60/14/520256014.db2.gz FTYPJNWKTBFQJQ-UHFFFAOYSA-N 0 0 262.303 3.824 10 0 CHAERN CCNc1nc(CSC(C)C)nc2sccc21 ZINC000050839075 520357747 /nfs/dbraw/zinc/35/77/47/520357747.db2.gz OLYFLZCGPVWEQO-UHFFFAOYSA-N 0 0 267.423 3.765 10 0 CHAERN CCCSCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127656312 520549820 /nfs/dbraw/zinc/54/98/20/520549820.db2.gz KDUIMQQLGXTPPG-CYBMUJFWSA-N 0 0 281.421 3.785 10 0 CHAERN CCCCNC(=O)c1cc(Cl)ccc1NCCC ZINC000050720430 520682136 /nfs/dbraw/zinc/68/21/36/520682136.db2.gz GWVAJOQWZAGVGF-UHFFFAOYSA-N 0 0 268.788 3.692 10 0 CHAERN CCCCO[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127848470 520832685 /nfs/dbraw/zinc/83/26/85/520832685.db2.gz IYEAVWJSXGNRNC-CABCVRRESA-N 0 0 293.407 3.847 10 0 CHAERN CCCCOc1ccccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189843844 520916426 /nfs/dbraw/zinc/91/64/26/520916426.db2.gz DZDHTHLMAVPYOQ-KGLIPLIRSA-N 0 0 291.391 3.619 10 0 CHAERN CCC(C)(C)C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000102601079 521275316 /nfs/dbraw/zinc/27/53/16/521275316.db2.gz POWLLGSOVYWBDH-UHFFFAOYSA-N 0 0 275.377 3.580 10 0 CHAERN CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCO[C@H]1C ZINC000188171786 521340831 /nfs/dbraw/zinc/34/08/31/521340831.db2.gz LMODVXQGJYVWJU-WFASDCNBSA-N 0 0 295.810 3.504 10 0 CHAERN CCCCc1noc(N)c1-c1cc(F)cc(F)c1 ZINC000049351133 521344497 /nfs/dbraw/zinc/34/44/97/521344497.db2.gz BGOFPNZTBMQVOK-UHFFFAOYSA-N 0 0 252.264 3.545 10 0 CHAERN CCN(Cc1cccs1)c1cc(C)nc(Cl)n1 ZINC000052814542 521410262 /nfs/dbraw/zinc/41/02/62/521410262.db2.gz WTPJXFJHZBMBCR-UHFFFAOYSA-N 0 0 267.785 3.526 10 0 CHAERN CCCN(C(=O)C1CCCCC1)c1ccccc1N ZINC000063113039 521414681 /nfs/dbraw/zinc/41/46/81/521414681.db2.gz ZQBWRWJONDZLGC-UHFFFAOYSA-N 0 0 260.381 3.592 10 0 CHAERN CCN(c1nc2c(s1)C(=O)CCC2)C1CCCCC1 ZINC000054861378 521504876 /nfs/dbraw/zinc/50/48/76/521504876.db2.gz XEQFQWFDRVWFJJ-UHFFFAOYSA-N 0 0 278.421 3.821 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](C)c1ccc(Cl)cc1 ZINC000049526370 521570128 /nfs/dbraw/zinc/57/01/28/521570128.db2.gz JVNBNSUPLSVKRZ-VIFPVBQESA-N 0 0 281.812 3.782 10 0 CHAERN CCCc1noc(CN2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000130939697 521582535 /nfs/dbraw/zinc/58/25/35/521582535.db2.gz XACTUSKPWMLXCQ-ZDUSSCGKSA-N 0 0 289.379 3.651 10 0 CHAERN CCOc1nc(Cl)nc(S[C@@H]2CCC[C@@H](C)C2)n1 ZINC000061517658 521605468 /nfs/dbraw/zinc/60/54/68/521605468.db2.gz YZJZHKQLADWZGA-RKDXNWHRSA-N 0 0 287.816 3.595 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccccc2C)c1 ZINC000037086624 521806510 /nfs/dbraw/zinc/80/65/10/521806510.db2.gz VVHRHYGHMIFUCK-CQSZACIVSA-N 0 0 282.387 3.836 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103361560 522177220 /nfs/dbraw/zinc/17/72/20/522177220.db2.gz FUANXMWBHIAUED-ZCFIWIBFSA-N 0 0 296.581 3.868 10 0 CHAERN CC[C@@H](C)c1ccc(NCc2ccnc(C)n2)cc1 ZINC000054790294 522426205 /nfs/dbraw/zinc/42/62/05/522426205.db2.gz MQXSTVHMQZBAMC-GFCCVEGCSA-N 0 0 255.365 3.911 10 0 CHAERN CNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC000050721314 522560258 /nfs/dbraw/zinc/56/02/58/522560258.db2.gz XSWWJIRDYVPFFZ-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(OC)ccc(Cl)c12 ZINC000050869660 522565037 /nfs/dbraw/zinc/56/50/37/522565037.db2.gz BCWQVVIVAZEPIV-UHFFFAOYSA-N 0 0 290.672 3.957 10 0 CHAERN CNc1cc(CSCc2ccccc2C)ccn1 ZINC000054964876 522567880 /nfs/dbraw/zinc/56/78/80/522567880.db2.gz LSEVURHFHUZLMC-UHFFFAOYSA-N 0 0 258.390 3.865 10 0 CHAERN CNc1ccnc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000050718528 522669737 /nfs/dbraw/zinc/66/97/37/522669737.db2.gz UPCKHXWASULQAZ-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CC[C@H](Nc1cc(C(=O)NC)ccc1C)c1ccccc1 ZINC000037086659 522764359 /nfs/dbraw/zinc/76/43/59/522764359.db2.gz MJJXVTBXLMTDOQ-INIZCTEOSA-N 0 0 282.387 3.918 10 0 CHAERN CC[C@H](Nc1ccc(C(N)=S)cc1)c1cccs1 ZINC000049532314 522767839 /nfs/dbraw/zinc/76/78/39/522767839.db2.gz OCLVOKDLIYOELG-LBPRGKRZSA-N 0 0 276.430 3.946 10 0 CHAERN CC[C@@H](NC(=O)c1ccc(Cl)nc1Cl)C(C)C ZINC000224877035 522784857 /nfs/dbraw/zinc/78/48/57/522784857.db2.gz QKRYTIZRQXHLGR-SECBINFHSA-N 0 0 275.179 3.553 10 0 CHAERN CCc1noc(C)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000155835416 522862674 /nfs/dbraw/zinc/86/26/74/522862674.db2.gz LZRLWODRHJBMBS-GFCCVEGCSA-N 0 0 289.335 3.507 10 0 CHAERN CCc1noc([C@@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000129601498 522909018 /nfs/dbraw/zinc/90/90/18/522909018.db2.gz WQAKNMVDAOVKIP-DTWKUNHWSA-N 0 0 297.761 3.836 10 0 CHAERN COCCC1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000151703853 523052781 /nfs/dbraw/zinc/05/27/81/523052781.db2.gz OYTVKWRVJLKTIJ-HZPDHXFCSA-N 0 0 293.451 3.526 10 0 CHAERN COCc1cccc2c(Cl)c3c(nc12)CCCC3 ZINC000049511453 523084960 /nfs/dbraw/zinc/08/49/60/523084960.db2.gz BYYJYQVXNFBINA-UHFFFAOYSA-N 0 0 261.752 3.913 10 0 CHAERN CCn1c(C)cc(C(=O)N[C@@H](C)c2ccc(C)o2)c1C ZINC000046042855 523137277 /nfs/dbraw/zinc/13/72/77/523137277.db2.gz NAOOSMBGCOSTPV-LBPRGKRZSA-N 0 0 274.364 3.517 10 0 CHAERN CC[C@@H]1CCC(=O)[C@H](CN(C)c2cccc(F)c2)C1 ZINC000053929674 523140792 /nfs/dbraw/zinc/14/07/92/523140792.db2.gz ZUOKSIOVBKAJAA-OLZOCXBDSA-N 0 0 263.356 3.657 10 0 CHAERN CC[C@@H]1CCCN1c1ccc([C@@H](C)O)cc1Cl ZINC000061695763 523272506 /nfs/dbraw/zinc/27/25/06/523272506.db2.gz ALZQEYBZRSBWGU-ZYHUDNBSSA-N 0 0 253.773 3.772 10 0 CHAERN CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCc2ccccc21 ZINC000045596433 523307352 /nfs/dbraw/zinc/30/73/52/523307352.db2.gz HIFDRDUYCNJQRP-KRWDZBQOSA-N 0 0 298.361 3.655 10 0 CHAERN CC[C@]1(C)C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000159315097 523594442 /nfs/dbraw/zinc/59/44/42/523594442.db2.gz VXAXTIWHKVODSP-FUHWJXTLSA-N 0 0 269.388 3.739 10 0 CHAERN CCc1ccc(-c2nc(N)cc(C(C)(C)C)n2)cc1 ZINC000050846031 523861240 /nfs/dbraw/zinc/86/12/40/523861240.db2.gz GKJSYZFQRFVUIF-UHFFFAOYSA-N 0 0 255.365 3.586 10 0 CHAERN COc1ccc(C2(O)CCC(C(C)C)CC2)cc1F ZINC000055261784 523870798 /nfs/dbraw/zinc/87/07/98/523870798.db2.gz KALLWCNFIWDZCV-UHFFFAOYSA-N 0 0 266.356 3.868 10 0 CHAERN CCc1ccc(C(=O)c2cccc(F)c2F)s1 ZINC000054188957 523898262 /nfs/dbraw/zinc/89/82/62/523898262.db2.gz PHWIOVBTDFIDTO-UHFFFAOYSA-N 0 0 252.285 3.820 10 0 CHAERN CCc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1 ZINC000061838014 523898583 /nfs/dbraw/zinc/89/85/83/523898583.db2.gz KTTHJBHEQPAGJP-UHFFFAOYSA-N 0 0 264.246 3.897 10 0 CHAERN Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c1Cl ZINC000336063263 534744658 /nfs/dbraw/zinc/74/46/58/534744658.db2.gz AYQDSQNUEPMHFB-PWSUYJOCSA-N 0 0 264.756 3.665 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC(F)(F)F)o1 ZINC000128436105 524053292 /nfs/dbraw/zinc/05/32/92/524053292.db2.gz RTEXPXZTLYJBBT-LLVKDONJSA-N 0 0 289.297 3.848 10 0 CHAERN Cc1ccc(C)c(N(C)C(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000049374746 524115334 /nfs/dbraw/zinc/11/53/34/524115334.db2.gz JKMVCEPLEZLWFS-KBPBESRZSA-N 0 0 269.344 3.663 10 0 CHAERN C[C@H]1CCC[C@H](C)N1C(=O)c1cccc2ncccc21 ZINC000103368184 524188140 /nfs/dbraw/zinc/18/81/40/524188140.db2.gz TXCKJNIHUITPPH-STQMWFEESA-N 0 0 268.360 3.638 10 0 CHAERN COc1ccc(Cl)cc1[C@H](O)Cc1ccccc1F ZINC000055203097 524254072 /nfs/dbraw/zinc/25/40/72/524254072.db2.gz CTIAUGYGCVTJEH-CQSZACIVSA-N 0 0 280.726 3.764 10 0 CHAERN COc1ccccc1-n1nccc1-c1ccccc1 ZINC000062606192 524308520 /nfs/dbraw/zinc/30/85/20/524308520.db2.gz VUSANADYIDWEKI-UHFFFAOYSA-N 0 0 250.301 3.548 10 0 CHAERN C[C@@H]1CCC[C@@H](SCC(=O)c2cccn2C)C1 ZINC000054692779 524320506 /nfs/dbraw/zinc/32/05/06/524320506.db2.gz UVJBYBBMYHYSRF-VXGBXAGGSA-N 0 0 251.395 3.520 10 0 CHAERN COc1ccc(F)cc1[C@H](O)Cc1cccc(Cl)c1 ZINC000052945451 524333926 /nfs/dbraw/zinc/33/39/26/524333926.db2.gz HAIZVVDZDDQWDF-CQSZACIVSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1ccc(CN(C(=O)[C@H]2CCCO[C@H]2C)C(C)C)s1 ZINC000190076301 524359323 /nfs/dbraw/zinc/35/93/23/524359323.db2.gz GJLVSJHLDXLODE-ZFWWWQNUSA-N 0 0 295.448 3.609 10 0 CHAERN Cc1cc(C)cc(CSCc2nnc(C3CC3)n2C)c1 ZINC000119659818 524395904 /nfs/dbraw/zinc/39/59/04/524395904.db2.gz SMMRWQJXCFPJJS-UHFFFAOYSA-N 0 0 287.432 3.743 10 0 CHAERN C[C@@H]1CCC[C@H](SC[C@H](O)c2cccc(N)c2)C1 ZINC000054690619 524412767 /nfs/dbraw/zinc/41/27/67/524412767.db2.gz RKSJPWMPCNUMIC-UGFHNGPFSA-N 0 0 265.422 3.614 10 0 CHAERN Cc1cccc(C[S@@](=O)Cc2ccc(Cl)cc2N)c1 ZINC000054966131 524470398 /nfs/dbraw/zinc/47/03/98/524470398.db2.gz ILMUARGZXZGJOV-IBGZPJMESA-N 0 0 293.819 3.680 10 0 CHAERN C[C@@H]1CCN(c2ccc(C(N)=S)cc2Cl)[C@H](C)C1 ZINC000062796095 524524141 /nfs/dbraw/zinc/52/41/41/524524141.db2.gz XXDOJPSGNXWTRL-NXEZZACHSA-N 0 0 282.840 3.599 10 0 CHAERN Cc1cc(C=O)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000050544886 524608650 /nfs/dbraw/zinc/60/86/50/524608650.db2.gz ZVBDIMFMMCGZDL-RDJZCZTQSA-N 0 0 257.377 3.967 10 0 CHAERN Cc1cccc(N[C@H](C)c2cn[nH]c2)c1Br ZINC000296463938 524698479 /nfs/dbraw/zinc/69/84/79/524698479.db2.gz NZFFLQHOIPBRQZ-SECBINFHSA-N 0 0 280.169 3.654 10 0 CHAERN COc1ccc(N[C@@H](C)Cc2ccco2)cc1Cl ZINC000062769457 524701424 /nfs/dbraw/zinc/70/14/24/524701424.db2.gz DSSZRZIFJCZDRN-JTQLQIEISA-N 0 0 265.740 3.985 10 0 CHAERN COc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000085628505 524706376 /nfs/dbraw/zinc/70/63/76/524706376.db2.gz DHZBFRYIAJCXPR-GDLCADMTSA-N 0 0 281.783 3.574 10 0 CHAERN Cc1cccc(Oc2c(F)cc(CO)cc2F)c1 ZINC000062722581 524785898 /nfs/dbraw/zinc/78/58/98/524785898.db2.gz WYQQKDMFJBZMFT-UHFFFAOYSA-N 0 0 250.244 3.558 10 0 CHAERN Cc1ccc(N)c(C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000053005508 524903008 /nfs/dbraw/zinc/90/30/08/524903008.db2.gz UTEQBVNFCPRYSG-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)c1cccc2ccccc21 ZINC000189986941 525012282 /nfs/dbraw/zinc/01/22/82/525012282.db2.gz FQANTRVBYIWXOQ-HIFRSBDPSA-N 0 0 283.371 3.618 10 0 CHAERN Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1C ZINC000050438955 525032394 /nfs/dbraw/zinc/03/23/94/525032394.db2.gz LBUWGKMOYORKBN-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Cc1ccccc1C[S@](=O)Cc1ccc(Cl)cc1N ZINC000054964428 525202835 /nfs/dbraw/zinc/20/28/35/525202835.db2.gz SSAGFSTZCAMACD-LJQANCHMSA-N 0 0 293.819 3.680 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(F)c1 ZINC000117566383 525209748 /nfs/dbraw/zinc/20/97/48/525209748.db2.gz AEVCSXYMVHICNO-BDJLRTHQSA-N 0 0 285.318 3.637 10 0 CHAERN C[C@@H]1C[C@@H](CNc2cc(Cl)nc(C3CC3)n2)C[C@H](C)O1 ZINC000281898255 525240611 /nfs/dbraw/zinc/24/06/11/525240611.db2.gz PJJWNJJABYGALJ-JGPRNRPPSA-N 0 0 295.814 3.623 10 0 CHAERN Cc1ccc(NCCc2cc(F)cc(F)c2)c(N)c1 ZINC000060717871 525279123 /nfs/dbraw/zinc/27/91/23/525279123.db2.gz UMWUMQUCJOSMQY-UHFFFAOYSA-N 0 0 262.303 3.510 10 0 CHAERN Cc1cc(N[C@@H](C)c2ccc(Cl)s2)ncn1 ZINC000042590584 525292100 /nfs/dbraw/zinc/29/21/00/525292100.db2.gz QLYKKHAGXDKXTJ-QMMMGPOBSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151689100 525303565 /nfs/dbraw/zinc/30/35/65/525303565.db2.gz YZCZMXUUPKECLU-VHDGCEQUSA-N 0 0 285.387 3.595 10 0 CHAERN C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2COc3ccccc32)o1 ZINC000070070219 525343723 /nfs/dbraw/zinc/34/37/23/525343723.db2.gz YNCOSWVPXLTNBB-BYCMXARLSA-N 0 0 269.344 3.626 10 0 CHAERN Cc1ccc(Oc2cc(Cl)nc(C)n2)cc1F ZINC000226417645 525472110 /nfs/dbraw/zinc/47/21/10/525472110.db2.gz YFWRFQBCUOVQKL-UHFFFAOYSA-N 0 0 252.676 3.678 10 0 CHAERN C[C@@H](NCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000054765606 525552265 /nfs/dbraw/zinc/55/22/65/525552265.db2.gz NGGIPOHYKFLZGZ-SECBINFHSA-N 0 0 282.174 3.634 10 0 CHAERN C[C@H](Nc1cc(Cl)ccc1C(N)=S)c1ccncc1 ZINC000062788060 525644103 /nfs/dbraw/zinc/64/41/03/525644103.db2.gz BGGLJRJCKDDHDY-VIFPVBQESA-N 0 0 291.807 3.542 10 0 CHAERN C[C@H](Nc1nc(C(F)(F)F)cs1)c1ccco1 ZINC000153034076 525679550 /nfs/dbraw/zinc/67/95/50/525679550.db2.gz KQUSKCIZIKLCSR-LURJTMIESA-N 0 0 262.256 3.928 10 0 CHAERN Cc1ccc(-c2c(N)n[nH]c2CC(C)(C)C)cc1C ZINC000061681216 525709635 /nfs/dbraw/zinc/70/96/35/525709635.db2.gz MMXQORAPTAXFPJ-UHFFFAOYSA-N 0 0 257.381 3.864 10 0 CHAERN C[C@@H](Nc1ncc(Cl)cc1Br)C1CC1 ZINC000159547279 525727652 /nfs/dbraw/zinc/72/76/52/525727652.db2.gz WKTRRTDUFRRVEM-ZCFIWIBFSA-N 0 0 275.577 3.708 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2N)o1 ZINC000049194225 525752906 /nfs/dbraw/zinc/75/29/06/525752906.db2.gz GTGVNROYCQCENV-SECBINFHSA-N 0 0 250.729 3.997 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)o1 ZINC000129097288 525801670 /nfs/dbraw/zinc/80/16/70/525801670.db2.gz WFXYUWXPLYRRDG-ZDUSSCGKSA-N 0 0 292.766 3.937 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2occc2C)o1 ZINC000127438298 525802528 /nfs/dbraw/zinc/80/25/28/525802528.db2.gz YZIILMWSKLXBPE-ZDUSSCGKSA-N 0 0 273.332 3.857 10 0 CHAERN C[C@H](O)c1ccc(N(C)c2cccc(F)c2)c(F)c1 ZINC000050005369 525855699 /nfs/dbraw/zinc/85/56/99/525855699.db2.gz CZROZEFKUKVGQN-JTQLQIEISA-N 0 0 263.287 3.786 10 0 CHAERN C[C@H](O)c1ccc(N(C)Cc2ccoc2)c(Cl)c1 ZINC000061695938 525855771 /nfs/dbraw/zinc/85/57/71/525855771.db2.gz RLHGIGPIPJCXOB-JTQLQIEISA-N 0 0 265.740 3.623 10 0 CHAERN C[C@H](O)c1ccc(N2Cc3ccccc3C2)c(Cl)c1 ZINC000061697061 525856094 /nfs/dbraw/zinc/85/60/94/525856094.db2.gz UVYPOISHYIKJNI-NSHDSACASA-N 0 0 273.763 3.914 10 0 CHAERN C[C@@H](O)c1ccc(-n2ncc3ccccc32)c(Cl)c1 ZINC000061697266 525865655 /nfs/dbraw/zinc/86/56/55/525865655.db2.gz DSFMRFCMNQNLNA-SNVBAGLBSA-N 0 0 272.735 3.732 10 0 CHAERN Cc1ccc([C@@](C)(O)c2cc(F)cc(F)c2)cc1C ZINC000055193102 525867582 /nfs/dbraw/zinc/86/75/82/525867582.db2.gz ODBXPKARUXRNRT-MRXNPFEDSA-N 0 0 262.299 3.837 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@@H](C)C2CC2)c(Cl)c1 ZINC000061695447 525867941 /nfs/dbraw/zinc/86/79/41/525867941.db2.gz IISQKGAXHYOJTF-VHSXEESVSA-N 0 0 253.773 3.628 10 0 CHAERN C[C@@H](O)c1ccc(F)cc1OCc1cccs1 ZINC000062749269 525868030 /nfs/dbraw/zinc/86/80/30/525868030.db2.gz CLEOHERBPCIDLD-SECBINFHSA-N 0 0 252.310 3.520 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000058826169 525868074 /nfs/dbraw/zinc/86/80/74/525868074.db2.gz QRIWWNLWSSFGKK-WDEREUQCSA-N 0 0 253.773 3.772 10 0 CHAERN COc1cccc(CCC(=O)N[C@H](C)c2cccs2)c1 ZINC000021904579 525882893 /nfs/dbraw/zinc/88/28/93/525882893.db2.gz HGGIJGHSCAGVHW-GFCCVEGCSA-N 0 0 289.400 3.567 10 0 CHAERN CSc1ccc(NCCOc2ccccc2)cc1 ZINC000049537931 526043569 /nfs/dbraw/zinc/04/35/69/526043569.db2.gz PFNYCSAJWGAOMA-UHFFFAOYSA-N 0 0 259.374 3.899 10 0 CHAERN C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(C=O)o1 ZINC000062015031 526044330 /nfs/dbraw/zinc/04/43/30/526044330.db2.gz CJMUGUHYTWPMKF-JTQLQIEISA-N 0 0 263.724 3.943 10 0 CHAERN C[C@H](c1cccc(Br)c1)n1cccc1 ZINC000049570115 526071122 /nfs/dbraw/zinc/07/11/22/526071122.db2.gz ISWRIGDCRVGUAG-SNVBAGLBSA-N 0 0 250.139 3.860 10 0 CHAERN O[C@H](CCc1ccco1)Cc1c(F)cccc1Cl ZINC000062138126 526271724 /nfs/dbraw/zinc/27/17/24/526271724.db2.gz URFGAMGVWSYXOK-SNVBAGLBSA-N 0 0 268.715 3.608 10 0 CHAERN Cc1nn(CCNc2ccc(Cl)cc2)c(C)c1Cl ZINC000053536086 526281249 /nfs/dbraw/zinc/28/12/49/526281249.db2.gz GFRYKQWEQJGASI-UHFFFAOYSA-N 0 0 284.190 3.919 10 0 CHAERN O[C@H](Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000049348384 526294455 /nfs/dbraw/zinc/29/44/55/526294455.db2.gz DWRQHXHIZNFKBB-CQSZACIVSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1cccs1)c1ccccc1OC(F)(F)F ZINC000055204200 526297543 /nfs/dbraw/zinc/29/75/43/526297543.db2.gz SSOIFQFUKVKHHE-LLVKDONJSA-N 0 0 288.290 3.923 10 0 CHAERN O[C@H](Cc1cccs1)Cc1ccc(Br)cc1 ZINC000052900171 526297951 /nfs/dbraw/zinc/29/79/51/526297951.db2.gz MUGNKMXKHVNVIF-LBPRGKRZSA-N 0 0 297.217 3.657 10 0 CHAERN O[C@H](c1ccsc1)c1cccc(OC(F)(F)F)c1 ZINC000061703355 526300627 /nfs/dbraw/zinc/30/06/27/526300627.db2.gz NUHYWYWYEPOSAB-NSHDSACASA-N 0 0 274.263 3.728 10 0 CHAERN Fc1ccc(NCCOc2ccc(F)c(F)c2)cc1 ZINC000053586759 526354122 /nfs/dbraw/zinc/35/41/22/526354122.db2.gz KKNUKQSSLWYPPI-UHFFFAOYSA-N 0 0 267.250 3.595 10 0 CHAERN Fc1cccc(F)c1NCc1cc(F)c(F)c(F)c1 ZINC000062706133 526395186 /nfs/dbraw/zinc/39/51/86/526395186.db2.gz NGPXVJAYEJOGOB-UHFFFAOYSA-N 0 0 273.204 3.994 10 0 CHAERN O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nccs1 ZINC000264152338 526688513 /nfs/dbraw/zinc/68/85/13/526688513.db2.gz LDICWVSEYWPOGZ-ZDUSSCGKSA-N 0 0 290.363 3.650 10 0 CHAERN Cc1nc(C)c([C@H](C)n2c(=S)[nH]nc2C(C)C)s1 ZINC000049534029 526756495 /nfs/dbraw/zinc/75/64/95/526756495.db2.gz AOWKZSYZKPKBPO-QMMMGPOBSA-N 0 0 282.438 3.747 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1CCC12CCCCC2 ZINC000364617297 526784642 /nfs/dbraw/zinc/78/46/42/526784642.db2.gz KVYZOAIWAISBMW-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN O=C(c1ccoc1Br)N1CCC12CCCCC2 ZINC000365656421 526857911 /nfs/dbraw/zinc/85/79/11/526857911.db2.gz HDIBPFZAPBKJJI-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN Cc1nc(Cn2c(=S)[nH]c3ccccc32)cs1 ZINC000049534143 526943144 /nfs/dbraw/zinc/94/31/44/526943144.db2.gz FRDOBEFOXOEYHU-UHFFFAOYSA-N 0 0 261.375 3.512 10 0 CHAERN Cc1nc(NC(=O)N[C@H](C)c2cccs2)sc1C ZINC000043550962 526985968 /nfs/dbraw/zinc/98/59/68/526985968.db2.gz AUWGAHNJAGWUHT-MRVPVSSYSA-N 0 0 281.406 3.704 10 0 CHAERN Clc1nc2ccccc2c(OCc2ccccc2)n1 ZINC000052811303 527007149 /nfs/dbraw/zinc/00/71/49/527007149.db2.gz JNPWRHNQAQQAIR-UHFFFAOYSA-N 0 0 270.719 3.862 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC2CCC2)cs1 ZINC000187007836 527047062 /nfs/dbraw/zinc/04/70/62/527047062.db2.gz RUJNIEWWHQPPQW-AWEZNQCLSA-N 0 0 278.421 3.695 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCC2(C)C)cs1 ZINC000275120144 527050739 /nfs/dbraw/zinc/05/07/39/527050739.db2.gz YJFIZPLKUHGBCR-OCCSQVGLSA-N 0 0 292.448 3.941 10 0 CHAERN Cc1nc([C@H](C)Nc2ccccc2[C@@H](C)O)cs1 ZINC000049542886 527066903 /nfs/dbraw/zinc/06/69/03/527066903.db2.gz YRWFLKSWSQIFNJ-VHSXEESVSA-N 0 0 262.378 3.678 10 0 CHAERN NC(=S)CCCCOc1ccccc1C(F)(F)F ZINC000049583052 527107543 /nfs/dbraw/zinc/10/75/43/527107543.db2.gz ANNYVOBLPZRFAF-UHFFFAOYSA-N 0 0 277.311 3.541 10 0 CHAERN NC(=S)c1c(Cl)cccc1Nc1ccc(F)cc1 ZINC000052904056 527113240 /nfs/dbraw/zinc/11/32/40/527113240.db2.gz ZDNPPVJSPQSFKH-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN O=C(Cc1cccc(F)c1F)c1ccc(F)c(F)c1 ZINC000053764286 527266836 /nfs/dbraw/zinc/26/68/36/527266836.db2.gz AILVAMKUXXLZAZ-UHFFFAOYSA-N 0 0 268.209 3.668 10 0 CHAERN CC(C)(c1noc([C@@H]2CCC(=O)c3cccn32)n1)C1CCC1 ZINC000333048960 527381053 /nfs/dbraw/zinc/38/10/53/527381053.db2.gz BSDUVOPLWYHCBH-ZDUSSCGKSA-N 0 0 299.374 3.515 10 0 CHAERN CC(C)(c1noc(C2(C)CCC(=O)CC2)n1)C1CCC1 ZINC000333281351 527381784 /nfs/dbraw/zinc/38/17/84/527381784.db2.gz XWEDVJHZQYFWDE-UHFFFAOYSA-N 0 0 276.380 3.548 10 0 CHAERN Nc1cc(C(F)(F)F)nc2c(Cl)cc(F)cc12 ZINC000050869890 527448825 /nfs/dbraw/zinc/44/88/25/527448825.db2.gz MAQLCOKEKFNSSD-UHFFFAOYSA-N 0 0 264.609 3.628 10 0 CHAERN Nc1cc(C(F)(F)F)nc2c(F)ccc(Cl)c12 ZINC000050869124 527448922 /nfs/dbraw/zinc/44/89/22/527448922.db2.gz ZWIOZQWETKQFDM-UHFFFAOYSA-N 0 0 264.609 3.628 10 0 CHAERN Nc1ccc([C@H](O)COc2ccc(Cl)cc2Cl)cc1 ZINC000051324994 527500606 /nfs/dbraw/zinc/50/06/06/527500606.db2.gz JIEQKAGSQUOMLG-CYBMUJFWSA-N 0 0 298.169 3.688 10 0 CHAERN Nc1onc(C[C@@H]2C[C@H]3CC[C@@H]2C3)c1-c1cccs1 ZINC000052902151 527581350 /nfs/dbraw/zinc/58/13/50/527581350.db2.gz SSDIXNVNRDNHHH-AXFHLTTASA-N 0 0 274.389 3.964 10 0 CHAERN OCc1cccc(Oc2cccc3ccccc32)n1 ZINC000051042805 527637912 /nfs/dbraw/zinc/63/79/12/527637912.db2.gz GFOOLTGEZQFXRQ-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN O[C@@H](Cc1cccc2ccccc21)CC(F)(F)F ZINC000053785781 527664390 /nfs/dbraw/zinc/66/43/90/527664390.db2.gz LIADNZGGFMTFHC-LBPRGKRZSA-N 0 0 254.251 3.696 10 0 CHAERN O[C@@H]1CCCCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703781 527667810 /nfs/dbraw/zinc/66/78/10/527667810.db2.gz XOWYYNWGBQEWBS-CHWSQXEVSA-N 0 0 274.282 3.994 10 0 CHAERN CCOC(=O)c1cccnc1NC[C@@H](C)c1cccs1 ZINC000302242837 528268922 /nfs/dbraw/zinc/26/89/22/528268922.db2.gz YTCLLANCLSTDFW-LLVKDONJSA-N 0 0 290.388 3.535 10 0 CHAERN CC(C)c1noc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000301527967 528507877 /nfs/dbraw/zinc/50/78/77/528507877.db2.gz OEBABTHHBFFYOS-IUCAKERBSA-N 0 0 277.290 3.726 10 0 CHAERN CC[C@H](C)c1nc2cccc(Br)c2cc1NN ZINC000725268058 567924173 /nfs/dbraw/zinc/92/41/73/567924173.db2.gz HOSQCPQBFGWULI-QMMMGPOBSA-N 0 0 294.196 3.796 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1[C@@H](C)CC[C@H]2C ZINC000725259947 567917157 /nfs/dbraw/zinc/91/71/57/567917157.db2.gz KWAAMFOZMRQEHQ-JGVFFNPUSA-N 0 0 253.729 3.522 10 0 CHAERN CCOc1ccc(/C=C/C(=O)OC(C)(C)C)cc1C ZINC000725273805 570264367 /nfs/dbraw/zinc/26/43/67/570264367.db2.gz IMQZIFNNTKHHJC-CSKARUKUSA-N 0 0 262.349 3.749 10 0 CHAERN FCc1nc2ccc(C(F)(F)F)cn2c1Br ZINC000642882004 570377692 /nfs/dbraw/zinc/37/76/92/570377692.db2.gz RXBLSVFSGOHIMY-UHFFFAOYSA-N 0 0 297.049 3.585 10 0 CHAERN C[C@@H]1C[C@H]2C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000004217675 560197478 /nfs/dbraw/zinc/19/74/78/560197478.db2.gz KJERLNHLVKUCEM-VMBOHXENSA-N 0 0 288.431 3.735 10 0 in-vitro CHAERN Cc1cc(-c2n[nH]cc2C(F)(F)F)c(C)cc1C=O ZINC000675072259 567023622 /nfs/dbraw/zinc/02/36/22/567023622.db2.gz BJXXWQSMOOOVKD-UHFFFAOYSA-N 0 0 268.238 3.525 10 0 CHAERN CC(C)C(=O)[C@H]1Cc2c(c(Cl)ccc2Cl)O1 ZINC000675081864 567028180 /nfs/dbraw/zinc/02/81/80/567028180.db2.gz XOEUEJXRVNNOAZ-SNVBAGLBSA-N 0 0 259.132 3.522 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1ccccc1OC(F)F ZINC000406086535 567039364 /nfs/dbraw/zinc/03/93/64/567039364.db2.gz COWLWPRKGQUCAF-CMDGGOBGSA-N 0 0 270.275 3.643 10 0 CHAERN COc1ccc2c(c1)SC[C@H](c1ccccc1)C2=O ZINC000048523160 567091003 /nfs/dbraw/zinc/09/10/03/567091003.db2.gz NHMPMDZMJAFCDG-CQSZACIVSA-N 0 0 270.353 3.767 10 0 CHAERN CCOC(=O)c1sc(Br)cc1C(C)C ZINC000261204521 567116323 /nfs/dbraw/zinc/11/63/23/567116323.db2.gz MMFXUCLGSYIEHF-UHFFFAOYSA-N 0 0 277.183 3.811 10 0 CHAERN CC(C)(C)c1noc([C@H]2OCC[C@H]2c2ccccc2)n1 ZINC000328634300 567121092 /nfs/dbraw/zinc/12/10/92/567121092.db2.gz UABDJSUNCKJYTH-STQMWFEESA-N 0 0 272.348 3.612 10 0 CHAERN CC(C)=CCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685962053 567210561 /nfs/dbraw/zinc/21/05/61/567210561.db2.gz SKUCDRFSDSBFHM-CQSZACIVSA-N 0 0 289.375 3.617 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000058826175 567217980 /nfs/dbraw/zinc/21/79/80/567217980.db2.gz SWGKNCIWWGXBOM-WDEREUQCSA-N 0 0 253.773 3.630 10 0 CHAERN CCC1(C)CCN(c2ccc(N)c(OC(F)F)c2)CC1 ZINC000725265320 567220213 /nfs/dbraw/zinc/22/02/13/567220213.db2.gz ZVQYYEBGCQBZSZ-UHFFFAOYSA-N 0 0 284.350 3.887 10 0 CHAERN C[C@@H]1C[C@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013467202 567866495 /nfs/dbraw/zinc/86/64/95/567866495.db2.gz DMSFWIJHZMGIJI-XOZXHJKHSA-N 0 0 286.415 3.855 10 0 CHAERN CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019281643 567877359 /nfs/dbraw/zinc/87/73/59/567877359.db2.gz FORKMPPTBHJGLP-LLVKDONJSA-N 0 0 298.814 3.702 10 0 CHAERN C[C@@H]1C[C@H](C)n2nc(C(C)(C)C)c(Br)c2N1 ZINC000235361985 567883672 /nfs/dbraw/zinc/88/36/72/567883672.db2.gz VPVNFIJHOKVOIE-SFYZADRCSA-N 0 0 286.217 3.708 10 0 CHAERN CCCN1c2cc(N)ccc2Sc2ccccc2C1=O ZINC000032918014 567886431 /nfs/dbraw/zinc/88/64/31/567886431.db2.gz BUOHAKQXWHCBPO-UHFFFAOYSA-N 0 0 284.384 3.790 10 0 CHAERN C[Si](C)(C)CCSC[C@H]1COC2(CCCC2)O1 ZINC000725245444 567908157 /nfs/dbraw/zinc/90/81/57/567908157.db2.gz IUCKUVPONLRFDI-GFCCVEGCSA-N 0 0 274.502 3.744 10 0 CHAERN CC(C)c1cccn2c(=O)c(C(C)C)c(Cl)nc12 ZINC000725244786 567908341 /nfs/dbraw/zinc/90/83/41/567908341.db2.gz LRCTXYBIHZQEDG-UHFFFAOYSA-N 0 0 264.756 3.595 10 0 CHAERN CCc1c(C)cc2nc([C@@H](C)CC)nn2c1Br ZINC000725247906 567908440 /nfs/dbraw/zinc/90/84/40/567908440.db2.gz CSLIPVOOUUWRLK-QMMMGPOBSA-N 0 0 296.212 3.876 10 0 CHAERN Cc1cc(Br)nc2nc(CC(C)C)ccc12 ZINC000725251958 567910052 /nfs/dbraw/zinc/91/00/52/567910052.db2.gz BTIRUISCORZWAG-UHFFFAOYSA-N 0 0 279.181 3.899 10 0 CHAERN COc1cccc2c1N[C@@H](C)C[C@H]2CC(=O)OC(C)(C)C ZINC000725253673 567911253 /nfs/dbraw/zinc/91/12/53/567911253.db2.gz DSZJNZXOYZERAU-RYUDHWBXSA-N 0 0 291.391 3.715 10 0 CHAERN COc1ccc2c(c1)[C@@H](CC(=O)OC(C)(C)C)C[C@H](C)N2 ZINC000725253984 567912405 /nfs/dbraw/zinc/91/24/05/567912405.db2.gz XNIVNUDJEKZZQN-NWDGAFQWSA-N 0 0 291.391 3.715 10 0 CHAERN C[C@H]1C[C@H](CC(=O)OC(C)(C)C)c2cccc(F)c2N1 ZINC000725254012 567912553 /nfs/dbraw/zinc/91/25/53/567912553.db2.gz ZKHCKDIWTZBJSK-WDEREUQCSA-N 0 0 279.355 3.845 10 0 CHAERN C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 ZINC000100394366 567913109 /nfs/dbraw/zinc/91/31/09/567913109.db2.gz BEAVIIGYZJAHFG-APHBMKBZSA-N 0 0 299.414 3.910 10 0 CHAERN Brc1ccc(-c2ccc([C@H]3CCO3)cc2)nc1 ZINC000725265178 567923159 /nfs/dbraw/zinc/92/31/59/567923159.db2.gz LZQBIDQUUFVGNK-CQSZACIVSA-N 0 0 290.160 3.973 10 0 CHAERN C[C@@H](C1CC1)C1N=NC(=S)N1C1CCCCC1 ZINC000725265537 567923614 /nfs/dbraw/zinc/92/36/14/567923614.db2.gz NXYBMOYGJCVQBJ-VIFPVBQESA-N 0 0 251.399 3.586 10 0 CHAERN COCC[C@H](CNc1ccsc1)c1ccccc1 ZINC000725266743 567923784 /nfs/dbraw/zinc/92/37/84/567923784.db2.gz AWYWSJKEMUFWHJ-CQSZACIVSA-N 0 0 261.390 3.980 10 0 CHAERN C=C(OCC)c1cc(Cl)nc(-c2ccccc2)n1 ZINC000725268209 567924181 /nfs/dbraw/zinc/92/41/81/567924181.db2.gz MGKLXRFNFONOGQ-UHFFFAOYSA-N 0 0 260.724 3.804 10 0 CHAERN Brc1cccc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000084704912 567931429 /nfs/dbraw/zinc/93/14/29/567931429.db2.gz DUZNXCADQGUBIT-ZDUSSCGKSA-N 0 0 294.217 3.746 10 0 CHAERN CCOC(OCC)c1ccc(C(OCC)OCC)cc1 ZINC000002576987 567955639 /nfs/dbraw/zinc/95/56/39/567955639.db2.gz DASGCPYQJHPYBK-UHFFFAOYSA-N 0 0 282.380 3.830 10 0 CHAERN CC(=O)n1ccc2cc(Br)cc(Cl)c21 ZINC000042689406 570217504 /nfs/dbraw/zinc/21/75/04/570217504.db2.gz YWWFHTIPZJKUAY-UHFFFAOYSA-N 0 0 272.529 3.717 10 0 CHAERN Brc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000026506684 570243774 /nfs/dbraw/zinc/24/37/74/570243774.db2.gz BAMTWEUJGAUDDU-UHFFFAOYSA-N 0 0 277.165 3.649 10 0 CHAERN COc1ccc(-c2nccc3occc32)c(-n2cccn2)c1 ZINC000065526225 570244409 /nfs/dbraw/zinc/24/44/09/570244409.db2.gz VEHQLIRKNALOTC-UHFFFAOYSA-N 0 0 291.310 3.689 10 0 CHAERN CCCc1cc2nc([C@@H](C)CC)nn2c(Br)c1 ZINC000725248526 570256054 /nfs/dbraw/zinc/25/60/54/570256054.db2.gz WSVGRLNHWNPZTB-VIFPVBQESA-N 0 0 296.212 3.958 10 0 CHAERN CC[C@H](C)c1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248192 570256183 /nfs/dbraw/zinc/25/61/83/570256183.db2.gz NILMRWVQVKIBOE-ZETCQYMHSA-N 0 0 282.185 3.622 10 0 CHAERN CCc1c(C)cc2nc(CC(C)C)nn2c1Br ZINC000725248287 570256150 /nfs/dbraw/zinc/25/61/50/570256150.db2.gz QDKQGJYPXQADEP-UHFFFAOYSA-N 0 0 296.212 3.561 10 0 CHAERN O=c1cc(-c2cc(Cl)ccc2Cl)[nH]c(=S)[nH]1 ZINC000084122992 570273635 /nfs/dbraw/zinc/27/36/35/570273635.db2.gz QXWMXYUKLXUKLY-UHFFFAOYSA-N 0 0 273.144 3.819 10 0 CHAERN O=C1Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000016946308 570281455 /nfs/dbraw/zinc/28/14/55/570281455.db2.gz RKRAVBKCNMIBIK-UHFFFAOYSA-N 0 0 291.228 3.507 10 0 CHAERN FC(F)(F)c1nc(Cl)sc1Br ZINC000299805531 570330281 /nfs/dbraw/zinc/33/02/81/570330281.db2.gz SLLXNMHYGVZKAI-UHFFFAOYSA-N 0 0 266.469 3.578 10 0 CHAERN CCC1(CC)C(=O)[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384314 570352881 /nfs/dbraw/zinc/35/28/81/570352881.db2.gz SJGKVWNCQXXPAF-STQMWFEESA-N 0 0 295.423 3.781 10 0 CHAERN CCC[C@H](C)c1nn2c(c1Br)NC[C@@H](C)C2 ZINC000233342364 570411324 /nfs/dbraw/zinc/41/13/24/570411324.db2.gz GAZYBIWFDYJECE-BDAKNGLRSA-N 0 0 286.217 3.611 10 0 CHAERN CCc1nn2c(c1Br)N[C@H](CC)C[C@@H]2CC ZINC000233956720 570411800 /nfs/dbraw/zinc/41/18/00/570411800.db2.gz ZMVDWTLECDWIGW-BDAKNGLRSA-N 0 0 286.217 3.753 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406028102 570411901 /nfs/dbraw/zinc/41/19/01/570411901.db2.gz SGWOOIREPZIBLS-IHRRRGAJSA-N 0 0 291.391 3.553 10 0 CHAERN C[C@@H](Cc1cccs1)[N@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000689154398 976234093 /nfs/dbraw/zinc/23/40/93/976234093.db2.gz MJNXRMWRIVFHJS-JTQLQIEISA-N 0 0 295.429 3.571 10 0 CHAERN CC[N@H+](Cc1ccc(C)c(C(=O)[O-])c1)CC(C)(C)C ZINC000701830045 977047390 /nfs/dbraw/zinc/04/73/90/977047390.db2.gz RZBOEACSKWSZOF-UHFFFAOYSA-N 0 0 263.381 3.561 10 0 CHAERN O=C([O-])c1csc(C[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000708761473 977442010 /nfs/dbraw/zinc/44/20/10/977442010.db2.gz DFAAURXXUJNQNL-UHFFFAOYSA-N 0 0 293.432 3.849 10 0 CHAERN CC[C@H](CC1CCCCC1)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000720939511 978088671 /nfs/dbraw/zinc/08/86/71/978088671.db2.gz FFFAYWUTSIQYPZ-HWOWSKLDSA-N 0 0 281.440 3.968 10 0 CHAERN CC[C@@H](CC1CCCCC1)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000720939514 978088918 /nfs/dbraw/zinc/08/89/18/978088918.db2.gz FFFAYWUTSIQYPZ-PCKAHOCUSA-N 0 0 281.440 3.968 10 0 CHAERN COCc1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194194543 1125552580 /nfs/dbraw/zinc/55/25/80/1125552580.db2.gz BURRQUSQQNAEEV-BRWVUGGUSA-N 0 0 287.403 3.593 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)CC2CCCC2)cs1 ZINC000187057853 1126908352 /nfs/dbraw/zinc/90/83/52/1126908352.db2.gz KFUMZIBYJQZUMA-AWEZNQCLSA-N 0 0 278.421 3.695 10 0 CHAERN C/C(=C/C(=O)OC1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000588448700 1118788543 /nfs/dbraw/zinc/78/85/43/1118788543.db2.gz XNPZZHQCOVZIHQ-BHBDMTODSA-N 0 0 274.360 3.589 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCc1ccccc1Cl ZINC000588451199 1118797849 /nfs/dbraw/zinc/79/78/49/1118797849.db2.gz HSAKWHDLROHHTN-HJWRWDBZSA-N 0 0 287.746 3.800 10 0 CHAERN CC[C@H](C)[C@@H](C)N(C(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588452770 1118797869 /nfs/dbraw/zinc/79/78/69/1118797869.db2.gz KFYNENVTBCAPQB-UWGCGMSASA-N 0 0 286.419 3.829 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(CC1CC1)C1CCCCC1 ZINC000588452667 1118798432 /nfs/dbraw/zinc/79/84/32/1118798432.db2.gz GKBJBDSXMKOBMU-QXMHVHEDSA-N 0 0 298.430 3.975 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC23CCCC3)cs1 ZINC000335848599 1118799476 /nfs/dbraw/zinc/79/94/76/1118799476.db2.gz VALKQIIZFAPFNO-JSGCOSHPSA-N 0 0 290.432 3.695 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](c1ccccn1)C(C)C ZINC000588456385 1118803998 /nfs/dbraw/zinc/80/39/98/1118803998.db2.gz DEGAEHLZROWZHA-HJCTWCACSA-N 0 0 296.370 3.739 10 0 CHAERN CC/C=C(/C)C(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000588485501 1118920763 /nfs/dbraw/zinc/92/07/63/1118920763.db2.gz IKECONYXQONCPI-XGFUNVHXSA-N 0 0 274.360 3.664 10 0 CHAERN O=C(/C=C\c1cncc(F)c1)OC1(Cc2ccccc2)CC1 ZINC000588492447 1118979076 /nfs/dbraw/zinc/97/90/76/1118979076.db2.gz JMOWQHPGBLFAAY-SREVYHEPSA-N 0 0 297.329 3.552 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)NC/C=C\c1ccccc1 ZINC000588497899 1119004496 /nfs/dbraw/zinc/00/44/96/1119004496.db2.gz BZDLOXMHWLVXIL-GSDNHOAWSA-N 0 0 257.377 3.808 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)NCCc1cc(F)ccc1F ZINC000588498578 1119005415 /nfs/dbraw/zinc/00/54/15/1119005415.db2.gz ZYDRTTNEMXCBQB-KHPPLWFESA-N 0 0 281.346 3.616 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000588503133 1119010700 /nfs/dbraw/zinc/01/07/00/1119010700.db2.gz XVPJXPPBNHQWPA-BENRWUELSA-N 0 0 290.411 3.714 10 0 CHAERN O=C(/C=C\c1cncc(F)c1)OCC1(c2ccccc2)CC1 ZINC000588510522 1119046492 /nfs/dbraw/zinc/04/64/92/1119046492.db2.gz FFLAJVLAZQWHQQ-SREVYHEPSA-N 0 0 297.329 3.509 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1 ZINC000336366293 1119048143 /nfs/dbraw/zinc/04/81/43/1119048143.db2.gz UZLWNARXLBWDRP-GWCFXTLKSA-N 0 0 264.756 3.665 10 0 CHAERN CC[C@@H]1[C@H](C)CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000588512529 1119049705 /nfs/dbraw/zinc/04/97/05/1119049705.db2.gz QXYHWKVZJQQHJK-ZAWACTRJSA-N 0 0 294.398 3.895 10 0 CHAERN C/C=C(/CC)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000588572863 1119330859 /nfs/dbraw/zinc/33/08/59/1119330859.db2.gz DEPLOBLIVBIMQJ-WTYKIMEZSA-N 0 0 297.402 3.714 10 0 CHAERN CCNc1cc(C)ccc1NC(=O)/C=C\C(C)(C)C ZINC000588582175 1119408873 /nfs/dbraw/zinc/40/88/73/1119408873.db2.gz BYUDBZSTOPZCNM-KTKRTIGZSA-N 0 0 260.381 3.968 10 0 CHAERN C[C@H]1CC(c2noc([C@@H]3CCCC(=O)N3)n2)C[C@H](C)C1 ZINC000329598802 1119444005 /nfs/dbraw/zinc/44/40/05/1119444005.db2.gz PSRFPNJHOLIOKD-FOGDFJRCSA-N 0 0 277.368 3.791 10 0 CHAERN O=C(/C=C\c1cccnc1)OCCCSc1ccccc1 ZINC000588591710 1119494162 /nfs/dbraw/zinc/49/41/62/1119494162.db2.gz UZDXDMZQZNAFOA-KTKRTIGZSA-N 0 0 299.395 3.820 10 0 CHAERN CC1(C)[C@H](Nc2ccsc2Cl)[C@H]2CCO[C@H]21 ZINC000309377326 1120285356 /nfs/dbraw/zinc/28/53/56/1120285356.db2.gz CVAMPHVVUJOGRT-SZEHBUNVSA-N 0 0 257.786 3.627 10 0 CHAERN C[C@@H](c1ccnn1C)c1nc(C2CCC(C)(C)CC2)no1 ZINC000333818486 1122846163 /nfs/dbraw/zinc/84/61/63/1122846163.db2.gz HBKZNAXNFQQDII-NSHDSACASA-N 0 0 288.395 3.639 10 0 CHAERN CO[C@@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2F)C1 ZINC000102706353 1122938756 /nfs/dbraw/zinc/93/87/56/1122938756.db2.gz HVBAVXLEKGCBOA-MNOVXSKESA-N 0 0 286.730 3.594 10 0 CHAERN CCCCCCC(=O)N(C)CCc1ccccc1OC ZINC000104458728 1122992154 /nfs/dbraw/zinc/99/21/54/1122992154.db2.gz UYKKWPJLPBHPBF-UHFFFAOYSA-N 0 0 277.408 3.667 10 0 CHAERN Cc1ccc(C(=O)Oc2ccccc2OC(F)F)c(C)n1 ZINC000105982449 1123095453 /nfs/dbraw/zinc/09/54/53/1123095453.db2.gz MJOJAKGVRDRAOC-UHFFFAOYSA-N 0 0 293.269 3.519 10 0 CHAERN C[C@@H]1CC(c2noc(Cc3cncs3)n2)C[C@@H](C)C1 ZINC000329596141 1123629589 /nfs/dbraw/zinc/62/95/89/1123629589.db2.gz PBVZUQMNJKKXPE-UWVGGRQHSA-N 0 0 277.393 3.657 10 0 CHAERN CC(C)n1cc2cc(NC(=O)N3C[C@H]4CCC[C@H]43)ccc2n1 ZINC000329915466 1123657691 /nfs/dbraw/zinc/65/76/91/1123657691.db2.gz DBVQBFAMUXJKEC-MLGOLLRUSA-N 0 0 298.390 3.633 10 0 CHAERN O=C(c1cc(Cl)c2ccccc2n1)N1C[C@H]2CCC[C@@H]21 ZINC000449903497 1124889888 /nfs/dbraw/zinc/88/98/88/1124889888.db2.gz BKGDNIOLOVWURA-BMIGLBTASA-N 0 0 286.762 3.513 10 0 CHAERN Cc1nc([C@@H]2CCCCCN2C(=O)C[C@H](C)C(C)C)no1 ZINC000364096960 1125264024 /nfs/dbraw/zinc/26/40/24/1125264024.db2.gz DNAFPNWHSOEHLS-JSGCOSHPSA-N 0 0 293.411 3.504 10 0 CHAERN CCC(C)(C)C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000102607981 1125308341 /nfs/dbraw/zinc/30/83/41/1125308341.db2.gz FKRWCNDCCSKPBU-UHFFFAOYSA-N 0 0 279.771 3.601 10 0 CHAERN CC[C@H](C)CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000191044077 1125322561 /nfs/dbraw/zinc/32/25/61/1125322561.db2.gz OAKVIDWXUBCYPD-NSHDSACASA-N 0 0 280.437 3.594 10 0 CHAERN Cc1ccc(CCCC(=O)N(C(C)C)C(C)C)cc1 ZINC000103931807 1125375815 /nfs/dbraw/zinc/37/58/15/1125375815.db2.gz YZGUFGPUUUNGPT-UHFFFAOYSA-N 0 0 261.409 3.963 10 0 CHAERN Oc1cc(OC2CCCCC2)ccc1Br ZINC000095719972 185018650 /nfs/dbraw/zinc/01/86/50/185018650.db2.gz UWQLABFIXBOXAD-UHFFFAOYSA-N 0 0 271.154 3.866 10 0 CHAERN Brc1ccc(OC2CC2)cc1Br ZINC000095741939 185024709 /nfs/dbraw/zinc/02/47/09/185024709.db2.gz SUKABVGCTKLXPF-UHFFFAOYSA-N 0 0 291.970 3.753 10 0 CHAERN FC(F)(F)c1ncc(Br)cc1Cl ZINC000095763629 185026101 /nfs/dbraw/zinc/02/61/01/185026101.db2.gz ZPBKBNUETCNZFE-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN CCc1nc(Cl)cc(NCc2ccc(Cl)cc2)n1 ZINC000082509548 178075820 /nfs/dbraw/zinc/07/58/20/178075820.db2.gz MHLILKIZJZTKNM-UHFFFAOYSA-N 0 0 282.174 3.958 10 0 CHAERN FC(F)(F)c1c(Cl)cncc1Br ZINC000095763747 185026746 /nfs/dbraw/zinc/02/67/46/185026746.db2.gz XRQUNZMUXSGJDY-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN CC(=O)[C@@H]1C[C@@H](c2ccccc2)N(C(=O)OC(C)(C)C)C1 ZINC000095764189 185027513 /nfs/dbraw/zinc/02/75/13/185027513.db2.gz PMZNFGAQYHKKLO-CABCVRRESA-N 0 0 289.375 3.574 10 0 CHAERN CC(C)(C)c1cc(Br)cc2c1NCC2 ZINC000095829174 185029174 /nfs/dbraw/zinc/02/91/74/185029174.db2.gz KPIMBGYPNPHQAL-UHFFFAOYSA-N 0 0 254.171 3.715 10 0 CHAERN Cc1ccc(N)c(-c2nc3cccnc3n2C(C)C)c1 ZINC000082573233 178112647 /nfs/dbraw/zinc/11/26/47/178112647.db2.gz FRUFCRVCFOFEKT-UHFFFAOYSA-N 0 0 266.348 3.570 10 0 CHAERN Brc1cccn2c(-c3ccccc3)cnc12 ZINC000082696131 178193654 /nfs/dbraw/zinc/19/36/54/178193654.db2.gz DYOJCSDZQQRBRG-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN Cc1cccc(NC(=O)C(C)(C)c2ccc(N)cc2)c1C ZINC000082698345 178197984 /nfs/dbraw/zinc/19/79/84/178197984.db2.gz YLZMJKLZOCSCDU-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN COC(=O)c1ncsc1-c1c(Cl)cccc1Cl ZINC000083239281 178365831 /nfs/dbraw/zinc/36/58/31/178365831.db2.gz VUCPRJOCULJBEW-UHFFFAOYSA-N 0 0 288.155 3.904 10 0 CHAERN Nc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000096887383 185122873 /nfs/dbraw/zinc/12/28/73/185122873.db2.gz MAVMILMUALXCIW-UHFFFAOYSA-N 0 0 271.703 3.899 10 0 CHAERN Nc1ccsc1-c1cccc(Br)c1 ZINC000096958938 185142864 /nfs/dbraw/zinc/14/28/64/185142864.db2.gz HIJOVVDXDAHAEH-UHFFFAOYSA-N 0 0 254.152 3.760 10 0 CHAERN CCOP(=O)(Cc1cn(C)c2ccccc12)OCC ZINC000002576831 169812374 /nfs/dbraw/zinc/81/23/74/169812374.db2.gz LVROGTVOJZRELR-UHFFFAOYSA-N 0 0 281.292 3.944 10 0 CHAERN CC(=O)OCCCCCCCCCOc1ccccn1 ZINC000084689793 178915376 /nfs/dbraw/zinc/91/53/76/178915376.db2.gz PEBAMBBDPXZDIB-UHFFFAOYSA-N 0 0 279.380 3.754 10 0 CHAERN CC(C)(C)OC(=O)c1cccc(-c2ccccc2O)c1N ZINC000085476730 179079689 /nfs/dbraw/zinc/07/96/89/179079689.db2.gz VXZFHDIMZAHTAP-UHFFFAOYSA-N 0 0 285.343 3.597 10 0 CHAERN O=Cc1cc2c(s1)-c1sc(Br)cc1C2=O ZINC000098209944 185700116 /nfs/dbraw/zinc/70/01/16/185700116.db2.gz CEJIJBXVXQCDFU-UHFFFAOYSA-N 0 0 299.170 3.596 10 0 CHAERN C[C@@H]1Cc2ccccc2N(c2cc(F)ccc2N)C1 ZINC000103945879 136553704 /nfs/dbraw/zinc/55/37/04/136553704.db2.gz WUFPJRBKTQPMLB-LLVKDONJSA-N 0 0 256.324 3.738 10 0 CHAERN CC(C)CCOc1cc(OC(C)C)c(F)cc1N ZINC000104134061 185903999 /nfs/dbraw/zinc/90/39/99/185903999.db2.gz QWOHOHUAHGHQIE-UHFFFAOYSA-N 0 0 255.333 3.620 10 0 CHAERN CCCOc1cc(N[C@H](C)CCC)c(N)cc1F ZINC000104128970 185901254 /nfs/dbraw/zinc/90/12/54/185901254.db2.gz XCVZLPOQCRSPSO-SNVBAGLBSA-N 0 0 254.349 3.797 10 0 CHAERN C[C@H](O)c1nc2c(s1)CC(C)(C)c1ccccc1-2 ZINC000104182433 185918120 /nfs/dbraw/zinc/91/81/20/185918120.db2.gz ZRRJXDXSKHFJSS-VIFPVBQESA-N 0 0 259.374 3.697 10 0 CHAERN CC(C)c1c(Cl)ncnc1N[C@H]1CCC[C@@H]1C ZINC000104212517 185933045 /nfs/dbraw/zinc/93/30/45/185933045.db2.gz GFDHHSATZZSYKM-UWVGGRQHSA-N 0 0 253.777 3.854 10 0 CHAERN CCN(Cc1cccs1)c1ccc(F)cc1C(N)=S ZINC000104246242 185941462 /nfs/dbraw/zinc/94/14/62/185941462.db2.gz UFCKARYKUQJTNZ-UHFFFAOYSA-N 0 0 294.420 3.548 10 0 CHAERN CSc1nc2ccc(NC[C@@H]3CCCOC3)cc2s1 ZINC000104326306 185970129 /nfs/dbraw/zinc/97/01/29/185970129.db2.gz AFVJVAKFTMRCKV-JTQLQIEISA-N 0 0 294.445 3.857 10 0 CHAERN C[C@@H](Cc1nc(-c2cccc(O)c2)no1)C(C)(C)C ZINC000104439260 186002241 /nfs/dbraw/zinc/00/22/41/186002241.db2.gz QSPBNLXVCCFPAZ-JTQLQIEISA-N 0 0 260.337 3.667 10 0 CHAERN COCCCSCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000104444295 186004367 /nfs/dbraw/zinc/00/43/67/186004367.db2.gz JHFFGMRCQIIMEH-UHFFFAOYSA-N 0 0 293.215 3.946 10 0 CHAERN CC(C)(C)OC(=O)n1ccc2c1ccc(F)c2F ZINC000091353278 180138465 /nfs/dbraw/zinc/13/84/65/180138465.db2.gz SJXYZDFTGXUACH-UHFFFAOYSA-N 0 0 253.248 3.703 10 0 CHAERN CCc1cc(Br)sc1Br ZINC000091301249 180128394 /nfs/dbraw/zinc/12/83/94/180128394.db2.gz SEFOUDCWOOYMAQ-UHFFFAOYSA-N 0 0 269.989 3.836 10 0 CHAERN CCSCc1cc(C)nc(Nc2ccccc2)n1 ZINC000196444206 189683109 /nfs/dbraw/zinc/68/31/09/189683109.db2.gz CMWWKXOSDDXNHK-UHFFFAOYSA-N 0 0 259.378 3.782 10 0 CHAERN CC(C)[C@H](C)NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000154442554 261091693 /nfs/dbraw/zinc/09/16/93/261091693.db2.gz QHKQQBNWMUXDQB-MNOVXSKESA-N 0 0 269.335 3.619 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)C(C)C)cc1F ZINC000176217287 261268842 /nfs/dbraw/zinc/26/88/42/261268842.db2.gz LYOGYKMXEOAPHK-NEPJUHHUSA-N 0 0 251.345 3.603 10 0 CHAERN CNc1ccc(Cl)c(CSc2nc(C)cs2)n1 ZINC000061640666 522624519 /nfs/dbraw/zinc/62/45/19/522624519.db2.gz MYYVHJXFNVEDHH-UHFFFAOYSA-N 0 0 285.825 3.834 10 0 CHAERN Clc1cc2c(Cl)cnnc2cc1Br ZINC000261507323 190040031 /nfs/dbraw/zinc/04/00/31/190040031.db2.gz HKWZXTLWDMBHSE-UHFFFAOYSA-N 0 0 277.936 3.699 10 0 CHAERN O=C(c1ccccc1)n1cc2c(n1)-c1ccccc1CS2 ZINC000000142680 169551970 /nfs/dbraw/zinc/55/19/70/169551970.db2.gz KFPPTODMSZHOCQ-UHFFFAOYSA-N 0 0 292.363 3.844 10 0 CHAERN Fc1ccc(-c2cn3cc(Br)sc3n2)cc1 ZINC000039325781 184545631 /nfs/dbraw/zinc/54/56/31/184545631.db2.gz CHVFUSYHQNEBHV-UHFFFAOYSA-N 0 0 297.152 3.964 10 0 CHAERN Cc1ccc(F)cc1N[C@H](C)C(=O)Nc1ccccc1 ZINC000020301183 171138735 /nfs/dbraw/zinc/13/87/35/171138735.db2.gz NVZYCHJNTBSKCQ-GFCCVEGCSA-N 0 0 272.323 3.573 10 0 CHAERN COC(=O)c1cccc(-c2ccccc2Br)c1 ZINC000001257328 169692856 /nfs/dbraw/zinc/69/28/56/169692856.db2.gz DLISJHMZFPTSDY-UHFFFAOYSA-N 0 0 291.144 3.903 10 0 CHAERN FC(F)(F)N(c1ccccc1Br)C1CC1 ZINC000095076901 184935430 /nfs/dbraw/zinc/93/54/30/184935430.db2.gz KZJUAUSUZNPQAQ-UHFFFAOYSA-N 0 0 280.087 3.938 10 0 CHAERN Nc1cccc(N2CCC(Cc3ccccc3)CC2)c1 ZINC000035823265 134805327 /nfs/dbraw/zinc/80/53/27/134805327.db2.gz KJYBMODFQBDVAC-UHFFFAOYSA-N 0 0 266.388 3.728 10 0 CHAERN O[C@H](CCN1CCCc2ccccc21)c1ccc(F)cc1 ZINC000041144867 134878095 /nfs/dbraw/zinc/87/80/95/134878095.db2.gz VUFCCMSOJDOCCE-GOSISDBHSA-N 0 0 285.362 3.702 10 0 CHAERN O=C([O-])[C@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCCC1 ZINC000001747895 169754530 /nfs/dbraw/zinc/75/45/30/169754530.db2.gz HWRRSDLNMJQUGH-SFHVURJKSA-N 0 0 295.382 3.965 10 0 CHAERN Clc1ccc(Sc2nc(Cl)nc(Cl)n2)cc1 ZINC000002034075 169770271 /nfs/dbraw/zinc/77/02/71/169770271.db2.gz KYRFXBWADCBGLO-UHFFFAOYSA-N 0 0 292.578 3.983 10 0 CHAERN c1ccc2c(c1)CCC[C@@H]2Nc1ncnc2ncccc21 ZINC000003952277 169926276 /nfs/dbraw/zinc/92/62/76/169926276.db2.gz DVHMRCVSTAKXDF-HNNXBMFYSA-N 0 0 276.343 3.514 10 0 CHAERN Cc1ccc(Nc2nc3ccccc3n3cnnc23)cc1C ZINC000004823143 170023744 /nfs/dbraw/zinc/02/37/44/170023744.db2.gz ITELTLKEBPEBOG-UHFFFAOYSA-N 0 0 289.342 3.638 10 0 CHAERN CCOc1ccccc1-c1cncn1CC(C)(C)C ZINC000005114905 170067061 /nfs/dbraw/zinc/06/70/61/170067061.db2.gz UQJSQUPAWUJAJH-UHFFFAOYSA-N 0 0 258.365 3.995 10 0 CHAERN O=C(NCc1ccccc1Cl)Nc1cccs1 ZINC000005135501 170069512 /nfs/dbraw/zinc/06/95/12/170069512.db2.gz OUDNBDWVXUXQCV-UHFFFAOYSA-N 0 0 266.753 3.723 10 0 CHAERN CC(C)O[C@@H](c1ccccc1O)[C@@H](O)c1ccccc1 ZINC000005284769 170082786 /nfs/dbraw/zinc/08/27/86/170082786.db2.gz BDPGFDOURDYTPF-IRXDYDNUSA-N 0 0 272.344 3.592 10 0 CHAERN CC(C)O[C@H](c1ccccc1O)[C@@H](O)c1ccccc1 ZINC000005284780 170082995 /nfs/dbraw/zinc/08/29/95/170082995.db2.gz BDPGFDOURDYTPF-DLBZAZTESA-N 0 0 272.344 3.592 10 0 CHAERN CC[C@H](c1cn(C)c2ccccc12)n1nnc2ccccc21 ZINC000005327740 170085730 /nfs/dbraw/zinc/08/57/30/170085730.db2.gz SJFQYIKXVPYUQV-MRXNPFEDSA-N 0 0 290.370 3.922 10 0 CHAERN Cc1ccc(C(=O)[C@@H](c2ccccc2)n2cccn2)cc1 ZINC000005413632 170096190 /nfs/dbraw/zinc/09/61/90/170096190.db2.gz UNKFEXCJHKXFRY-QGZVFWFLSA-N 0 0 276.339 3.664 10 0 CHAERN Cc1ccc(C(C)(C)n2nnc3ccccc32)s1 ZINC000005417689 170097000 /nfs/dbraw/zinc/09/70/00/170097000.db2.gz DCAWTYVGYUQERY-UHFFFAOYSA-N 0 0 257.362 3.585 10 0 CHAERN OC1([C@H](c2ccccc2)n2cccc2)CCCCC1 ZINC000005486587 170104048 /nfs/dbraw/zinc/10/40/48/170104048.db2.gz LCGXMIPDXMSZJS-INIZCTEOSA-N 0 0 255.361 3.773 10 0 CHAERN Cc1ccc(C/C=C/S(=O)(=O)c2ccccc2)cc1 ZINC000005543788 170111061 /nfs/dbraw/zinc/11/10/61/170111061.db2.gz MNWCIJVQKRCOCF-WLRTZDKTSA-N 0 0 272.369 3.525 10 0 CHAERN NC(=S)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000005592581 170117363 /nfs/dbraw/zinc/11/73/63/170117363.db2.gz IXIPSTNDXHCRJM-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN CCOc1ccc(/C=C\C(=O)NC2CCCCC2)cc1 ZINC000005958897 170162512 /nfs/dbraw/zinc/16/25/12/170162512.db2.gz QMUGFKZMCIKQSF-RAXLEYEMSA-N 0 0 273.376 3.547 10 0 CHAERN CCOc1ccc(/C=C\C(=O)Nc2ccccc2)cc1 ZINC000005959083 170162521 /nfs/dbraw/zinc/16/25/21/170162521.db2.gz GTONGWREBNEIEV-RAXLEYEMSA-N 0 0 267.328 3.737 10 0 CHAERN CCN(CC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000006046188 170171705 /nfs/dbraw/zinc/17/17/05/170171705.db2.gz LLPMUVODYDXVGF-SOFGYWHQSA-N 0 0 272.175 3.875 10 0 CHAERN O=c1[nH]n(Cc2ccc(Cl)cc2)c2cc(Cl)ccc12 ZINC000006092964 170175472 /nfs/dbraw/zinc/17/54/72/170175472.db2.gz DPCGVKRVIVMNTA-UHFFFAOYSA-N 0 0 293.153 3.685 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000006301453 170189392 /nfs/dbraw/zinc/18/93/92/170189392.db2.gz UVQRGTOMMJFDMN-FYWRMAATSA-N 0 0 277.367 3.675 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1ccccc1F ZINC000006301938 170189438 /nfs/dbraw/zinc/18/94/38/170189438.db2.gz CUHAWGRPJLTZSZ-VAWYXSNFSA-N 0 0 255.292 3.868 10 0 CHAERN CN(C)c1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000006314123 170190766 /nfs/dbraw/zinc/19/07/66/170190766.db2.gz YEZXRQDJCAZWFU-UHFFFAOYSA-N 0 0 265.360 3.846 10 0 CHAERN COc1ccc(C(=O)Nc2ccccc2-n2cccc2)cc1 ZINC000006389001 170197303 /nfs/dbraw/zinc/19/73/03/170197303.db2.gz DVKCTHMKIUUVHI-UHFFFAOYSA-N 0 0 292.338 3.738 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1C ZINC000006393881 170197705 /nfs/dbraw/zinc/19/77/05/170197705.db2.gz YIYYCGQIHQIQQP-LLVKDONJSA-N 0 0 267.319 3.678 10 0 CHAERN CCc1cccc(CC)c1NC(=S)N1CCCCC1 ZINC000006713768 170231424 /nfs/dbraw/zinc/23/14/24/170231424.db2.gz PUKJRYKVQKDRFL-UHFFFAOYSA-N 0 0 276.449 3.994 10 0 CHAERN CCNc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000006773506 170242531 /nfs/dbraw/zinc/24/25/31/170242531.db2.gz VZWSNYWHEMUVMG-UHFFFAOYSA-N 0 0 279.343 3.737 10 0 CHAERN COC(=O)c1ccc(Oc2ccc3ccccc3n2)cc1 ZINC000007365087 170279128 /nfs/dbraw/zinc/27/91/28/170279128.db2.gz KFAJQTQPSGTCDL-UHFFFAOYSA-N 0 0 279.295 3.814 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NC2CCCC2)cc1Cl ZINC000007383742 170282080 /nfs/dbraw/zinc/28/20/80/170282080.db2.gz HLRINHZGBPGMKC-LLVKDONJSA-N 0 0 280.799 3.508 10 0 CHAERN Cc1cc(C)n(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)n1 ZINC000007650032 170295504 /nfs/dbraw/zinc/29/55/04/170295504.db2.gz IDVKHZUXBMNQLK-CQSZACIVSA-N 0 0 294.354 3.761 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccco1 ZINC000007799601 170303533 /nfs/dbraw/zinc/30/35/33/170303533.db2.gz CNNCEZDUXKIYHI-NSHDSACASA-N 0 0 292.766 3.531 10 0 CHAERN Cc1ccc(C2=NN[C@H](c3ccccc3F)C2)cc1 ZINC000008550053 170339618 /nfs/dbraw/zinc/33/96/18/170339618.db2.gz RIHBJVLXFASYGL-INIZCTEOSA-N 0 0 254.308 3.573 10 0 CHAERN Cc1ccc(OCc2nnc(-c3ccc(C)cc3)[nH]2)cc1 ZINC000008550624 170339738 /nfs/dbraw/zinc/33/97/38/170339738.db2.gz LTKHEUQHXNKANW-UHFFFAOYSA-N 0 0 279.343 3.668 10 0 CHAERN Clc1ccc(NC2=NCCCS2)c(Cl)c1 ZINC000008729599 170350338 /nfs/dbraw/zinc/35/03/38/170350338.db2.gz SALXRLDYOSOJNC-UHFFFAOYSA-N 0 0 261.177 3.898 10 0 CHAERN COc1ccc(Cn2c(C)c(C=O)c3ccccc32)cc1 ZINC000009239689 170368302 /nfs/dbraw/zinc/36/83/02/170368302.db2.gz OUHRCHBZBWQMEN-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN CCCCNC(=O)COc1ccc(C(C)(C)CC)cc1 ZINC000010472041 170407883 /nfs/dbraw/zinc/40/78/83/170407883.db2.gz CNNRRTHSVYHTQG-UHFFFAOYSA-N 0 0 277.408 3.669 10 0 CHAERN O[C@@H]1c2cccc3ccc(-c4ccccc4)c(c23)[C@@H]1O ZINC000013480189 170554928 /nfs/dbraw/zinc/55/49/28/170554928.db2.gz NRNGMUBGJNCBDO-MSOLQXFVSA-N 0 0 262.308 3.587 10 0 CHAERN CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000014039751 170616792 /nfs/dbraw/zinc/61/67/92/170616792.db2.gz WDSLFIORHZLXOA-CYBMUJFWSA-N 0 0 299.370 3.664 10 0 CHAERN Cc1ccc(C)c(NC(=O)CSc2cccc(N)c2)c1 ZINC000014293170 170631245 /nfs/dbraw/zinc/63/12/45/170631245.db2.gz CQASEYSWHCMJJO-UHFFFAOYSA-N 0 0 286.400 3.616 10 0 CHAERN COCCn1c(C)c(C(C)=O)c2cc(O)c3ccccc3c21 ZINC000016249653 170692025 /nfs/dbraw/zinc/69/20/25/170692025.db2.gz DXGJWDGYIDPTFR-UHFFFAOYSA-N 0 0 297.354 3.658 10 0 CHAERN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(N)c1 ZINC000019403837 170786046 /nfs/dbraw/zinc/78/60/46/170786046.db2.gz HAHHFJMNOZYEJT-JTQLQIEISA-N 0 0 286.762 3.514 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1 ZINC000019411491 170789408 /nfs/dbraw/zinc/78/94/08/170789408.db2.gz XQEGZGNMDPPPQQ-UHFFFAOYSA-N 0 0 266.753 3.544 10 0 CHAERN COc1cccc(COc2ccc(Cl)cc2N)c1 ZINC000019805176 170874231 /nfs/dbraw/zinc/87/42/31/170874231.db2.gz LQHHDFNXLDDHGC-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1cccc(OCc2cc(C(N)=S)ccc2F)c1C ZINC000019806249 170875008 /nfs/dbraw/zinc/87/50/08/170875008.db2.gz SNDGNDLJPGHYAS-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN CC(=O)Nc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1 ZINC000019885799 170909712 /nfs/dbraw/zinc/90/97/12/170909712.db2.gz SLIYTNWJOQPIOS-HBBFGDNQSA-N 0 0 260.381 3.882 10 0 CHAERN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(O)cc1 ZINC000019903431 170915351 /nfs/dbraw/zinc/91/53/51/170915351.db2.gz HORPUBOKPGIRMV-OAHLLOKOSA-N 0 0 287.359 3.973 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1cccc(O)c1 ZINC000019906146 170918162 /nfs/dbraw/zinc/91/81/62/170918162.db2.gz ZVOQJTBQBFVIJQ-GFCCVEGCSA-N 0 0 285.343 3.727 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2)c(C)c1 ZINC000019911552 170921848 /nfs/dbraw/zinc/92/18/48/170921848.db2.gz PDUPIEPUVZTVSW-CYBMUJFWSA-N 0 0 268.360 3.575 10 0 CHAERN Nc1ccc2nc(NC(=O)CCC3CCCC3)sc2c1 ZINC000020081049 170986037 /nfs/dbraw/zinc/98/60/37/170986037.db2.gz UJAVAYLDDXTTFC-UHFFFAOYSA-N 0 0 289.404 3.787 10 0 CHAERN Cc1nc([C@H](C)N[C@H](C)c2ccncc2)c(C)s1 ZINC000020121845 171001398 /nfs/dbraw/zinc/00/13/98/171001398.db2.gz KGYNSRWARFVZSW-ZJUUUORDSA-N 0 0 261.394 3.567 10 0 CHAERN Cc1nn(C)c(C)c1NCc1ccc(Cl)c(Cl)c1 ZINC000020134574 171022511 /nfs/dbraw/zinc/02/25/11/171022511.db2.gz PLPCKWZBVNDCCE-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN C[C@H](Nc1cccc(-c2nnco2)c1)c1ccco1 ZINC000020187298 171052105 /nfs/dbraw/zinc/05/21/05/171052105.db2.gz RQNCDVZZRMRUDL-JTQLQIEISA-N 0 0 255.277 3.503 10 0 CHAERN CCOc1ccc([C@H](C)Nc2cccc(O)c2)cc1 ZINC000020193697 171059604 /nfs/dbraw/zinc/05/96/04/171059604.db2.gz DQNYCSQSDSZHPA-LBPRGKRZSA-N 0 0 257.333 3.964 10 0 CHAERN Cc1ccccc1-n1nc(-c2ccc(F)cc2)cc1N ZINC000020284559 171133605 /nfs/dbraw/zinc/13/36/05/171133605.db2.gz HCJHEXJNIKHRJC-UHFFFAOYSA-N 0 0 267.307 3.569 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NC2CCCC2)c(Cl)c1 ZINC000020301033 171138899 /nfs/dbraw/zinc/13/88/99/171138899.db2.gz UICWHASCAJEAKG-LLVKDONJSA-N 0 0 280.799 3.508 10 0 CHAERN CC(C)CNC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020313065 171145194 /nfs/dbraw/zinc/14/51/94/171145194.db2.gz WQEXRBIUWDRGSD-SECBINFHSA-N 0 0 289.206 3.566 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1C ZINC000020367270 171165738 /nfs/dbraw/zinc/16/57/38/171165738.db2.gz GCBVPKYBRUJKPD-LLVKDONJSA-N 0 0 282.815 3.754 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020367557 171165741 /nfs/dbraw/zinc/16/57/41/171165741.db2.gz XBZVMJWNRFCELQ-LLVKDONJSA-N 0 0 280.437 3.514 10 0 CHAERN CCC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(SC)cc1 ZINC000020367553 171165996 /nfs/dbraw/zinc/16/59/96/171165996.db2.gz WRGQBEIGZDXEGH-NEPJUHHUSA-N 0 0 280.437 3.514 10 0 CHAERN N[C@H](c1cc2ccccc2o1)c1cc(F)ccc1F ZINC000020369055 171167156 /nfs/dbraw/zinc/16/71/56/171167156.db2.gz PFZCJDMESYKWBK-HNNXBMFYSA-N 0 0 259.255 3.759 10 0 CHAERN Nc1cc(Cl)ccc1NCCc1ccc(F)cc1 ZINC000020382349 171173279 /nfs/dbraw/zinc/17/32/79/171173279.db2.gz GAPVYAXZUAAVSQ-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN [NH3+][C@@H](CCCC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000020423362 171190553 /nfs/dbraw/zinc/19/05/53/171190553.db2.gz ODHVYNBQMAJFPY-INIZCTEOSA-N 0 0 275.392 3.989 10 0 CHAERN O=C([O-])CCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000020433378 171198554 /nfs/dbraw/zinc/19/85/54/171198554.db2.gz BAWJKPUAIZYHLJ-UHFFFAOYSA-N 0 0 267.413 3.819 10 0 CHAERN C[C@H](Oc1cccc(Cl)c1CO)c1ccccc1 ZINC000020435169 171200796 /nfs/dbraw/zinc/20/07/96/171200796.db2.gz AACUHUZYUUNLMH-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN Cc1ccc(NC(=O)c2c(C)cccc2N)c(Cl)c1 ZINC000020470965 171213493 /nfs/dbraw/zinc/21/34/93/171213493.db2.gz OONDEIOPKBJVFL-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN CC(C)N(Cc1ccccc1)c1ccc(N)cc1F ZINC000020474815 171219436 /nfs/dbraw/zinc/21/94/36/171219436.db2.gz BPVWBHMHUWUTLG-UHFFFAOYSA-N 0 0 258.340 3.823 10 0 CHAERN CCCCCCOCc1cc(C(N)=S)ccc1F ZINC000020515954 171232489 /nfs/dbraw/zinc/23/24/89/171232489.db2.gz DVHUFHDRGJNEDP-UHFFFAOYSA-N 0 0 269.385 3.557 10 0 CHAERN COC(C)(C)C[C@H](C)Nc1cccc2cccnc21 ZINC000020524227 171237319 /nfs/dbraw/zinc/23/73/19/171237319.db2.gz PWSXIPBFYOEHJL-LBPRGKRZSA-N 0 0 258.365 3.850 10 0 CHAERN CC(=O)c1cccc(NC(=O)N[C@H](C)c2cccs2)c1 ZINC000020536136 171241000 /nfs/dbraw/zinc/24/10/00/171241000.db2.gz YJOHYWKWMNWIHJ-SNVBAGLBSA-N 0 0 288.372 3.833 10 0 CHAERN Cc1cnn([C@H](C)c2ccc(Cl)c(Cl)c2)c1N ZINC000020578604 171256888 /nfs/dbraw/zinc/25/68/88/171256888.db2.gz QTEWFTWKMKJTOI-MRVPVSSYSA-N 0 0 270.163 3.690 10 0 CHAERN Nc1cc(F)ccc1Nc1ccc(F)c(Cl)c1 ZINC000020585835 171259174 /nfs/dbraw/zinc/25/91/74/171259174.db2.gz COTUYXSBRNNJJI-UHFFFAOYSA-N 0 0 254.667 3.944 10 0 CHAERN Cc1ccc(CN2C(=S)N=NC2c2cccs2)cc1 ZINC000020591229 171261511 /nfs/dbraw/zinc/26/15/11/171261511.db2.gz NQRVQKSFVNKAMA-UHFFFAOYSA-N 0 0 287.413 3.652 10 0 CHAERN N[C@H](c1cc2cc(Cl)ccc2o1)c1cccnc1 ZINC000020592852 171262439 /nfs/dbraw/zinc/26/24/39/171262439.db2.gz PAVYKETWBJBFJU-AWEZNQCLSA-N 0 0 258.708 3.529 10 0 CHAERN Cc1c(Cl)cc(C(=O)NC2CCCCC2)c(F)c1F ZINC000021266672 171300433 /nfs/dbraw/zinc/30/04/33/171300433.db2.gz SBHASBWHUNPVPZ-UHFFFAOYSA-N 0 0 287.737 3.989 10 0 CHAERN Cc1cc(C(=O)N2CCCCCC2)c(C)c(F)c1F ZINC000021266699 171300454 /nfs/dbraw/zinc/30/04/54/171300454.db2.gz JFTOAYXOJOJZCO-UHFFFAOYSA-N 0 0 267.319 3.598 10 0 CHAERN Oc1ccc(OCCCCCOc2ccc(O)cc2)cc1 ZINC000021298177 171300748 /nfs/dbraw/zinc/30/07/48/171300748.db2.gz CVFFLNSOIOGOFJ-UHFFFAOYSA-N 0 0 288.343 3.726 10 0 CHAERN C[C@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCCO2 ZINC000021502434 171306326 /nfs/dbraw/zinc/30/63/26/171306326.db2.gz OGUNNTIFIKMLHC-RYUDHWBXSA-N 0 0 261.365 3.694 10 0 CHAERN C[C@H]1[C@H](NC(=O)c2ccc(Cl)cc2O)CCC[C@@H]1C ZINC000021516586 171313021 /nfs/dbraw/zinc/31/30/21/171313021.db2.gz RUXSCAXZSRLXCV-OPQQBVKSSA-N 0 0 281.783 3.600 10 0 CHAERN COc1ccc(N)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000021957222 171341781 /nfs/dbraw/zinc/34/17/81/171341781.db2.gz GLQILICVYPHZGF-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000021965228 171343517 /nfs/dbraw/zinc/34/35/17/171343517.db2.gz KEPKYFVXHMBDQE-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN COc1cc2sc(SC)nc2cc1SC ZINC000021992151 171346675 /nfs/dbraw/zinc/34/66/75/171346675.db2.gz DNTHUKHENVJUCV-UHFFFAOYSA-N 0 0 257.405 3.749 10 0 CHAERN COc1ccc([C@H](O)c2cc3ccc(OC)cc3o2)cc1 ZINC000021993746 171346780 /nfs/dbraw/zinc/34/67/80/171346780.db2.gz MSKXEQOVHFSFGI-KRWDZBQOSA-N 0 0 284.311 3.532 10 0 CHAERN COC(=O)[C@H]1CCCC[C@@H]1SCc1ccccc1 ZINC000021993765 171346943 /nfs/dbraw/zinc/34/69/43/171346943.db2.gz IIAYUZFEGVWNGR-KBPBESRZSA-N 0 0 264.390 3.652 10 0 CHAERN Oc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 ZINC000022010800 171349392 /nfs/dbraw/zinc/34/93/92/171349392.db2.gz YHZAIZKHMXZGSM-UHFFFAOYSA-N 0 0 261.683 3.814 10 0 CHAERN C[C@H]1C[C@H](Oc2nc3sccn3c2C=O)CC(C)(C)C1 ZINC000022158832 171363375 /nfs/dbraw/zinc/36/33/75/171363375.db2.gz VTTLRMAXMADFNJ-QWRGUYRKSA-N 0 0 292.404 3.802 10 0 CHAERN Cc1nc2c(cc(OC[C@H]3CO3)c3ccsc32)s1 ZINC000022221121 171377862 /nfs/dbraw/zinc/37/78/62/171377862.db2.gz GMTQYKIUICLYEU-MRVPVSSYSA-N 0 0 277.370 3.597 10 0 CHAERN C/C=C/C(=O)N1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000022333735 171385399 /nfs/dbraw/zinc/38/53/99/171385399.db2.gz RYXFUKWLZJEVMV-KPUAHBEZSA-N 0 0 295.357 3.876 10 0 CHAERN Cc1ccc(-c2ccnc(Nc3ccccc3)n2)o1 ZINC000026655041 171494852 /nfs/dbraw/zinc/49/48/52/171494852.db2.gz HHMSAJNBMLPSLF-UHFFFAOYSA-N 0 0 251.289 3.789 10 0 CHAERN Oc1ccc(-c2cc(Cl)c3cc(O)ccc3n2)cc1 ZINC000028527710 171562529 /nfs/dbraw/zinc/56/25/29/171562529.db2.gz MJJDANHWHHWHME-UHFFFAOYSA-N 0 0 271.703 3.966 10 0 in-vivo CHAERN CC(C)(CO)CCCCC(O)CCCCC(C)(C)CO ZINC000028566781 171563311 /nfs/dbraw/zinc/56/33/11/171563311.db2.gz HAACCVDHAVGIPR-UHFFFAOYSA-N 0 0 288.472 3.505 10 0 CHAERN c1cc2ncnc(N[C@H]3CCOc4ccccc43)c2s1 ZINC000028624861 171567111 /nfs/dbraw/zinc/56/71/11/171567111.db2.gz GDPFIEFJXGWVCQ-NSHDSACASA-N 0 0 283.356 3.627 10 0 CHAERN O[C@@H](CNc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000032114284 171707781 /nfs/dbraw/zinc/70/77/81/171707781.db2.gz QKEPSGBFDPCJBG-AWEZNQCLSA-N 0 0 265.715 3.625 10 0 CHAERN O[C@@H](CNc1cccc(F)c1)c1ccccc1Cl ZINC000032114272 171707899 /nfs/dbraw/zinc/70/78/99/171707899.db2.gz OKPUOOCVNISOHR-AWEZNQCLSA-N 0 0 265.715 3.625 10 0 CHAERN CCOC(=O)c1sc(-c2ccc(C)s2)cc1N ZINC000034975237 171910381 /nfs/dbraw/zinc/91/03/81/171910381.db2.gz FLYRRXPAOPACQD-UHFFFAOYSA-N 0 0 267.375 3.544 10 0 CHAERN C[C@@H]1Cc2ccccc2N1CC(=O)c1cccc(Cl)c1 ZINC000035020174 171938516 /nfs/dbraw/zinc/93/85/16/171938516.db2.gz IKLKIEWJFQBKLR-GFCCVEGCSA-N 0 0 285.774 3.974 10 0 CHAERN C[C@H](Nc1nncc2ccccc21)c1cccs1 ZINC000035128000 171997333 /nfs/dbraw/zinc/99/73/33/171997333.db2.gz JBPAQWXUNZZVBS-JTQLQIEISA-N 0 0 255.346 3.864 10 0 CHAERN CCOc1ccccc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134738 172001752 /nfs/dbraw/zinc/00/17/52/172001752.db2.gz FANXXNOJPTWLTJ-UHFFFAOYSA-N 0 0 280.327 3.819 10 0 CHAERN FC(F)(F)Oc1ccc(NC[C@@H]2CCCCO2)cc1 ZINC000035150764 172013695 /nfs/dbraw/zinc/01/36/95/172013695.db2.gz MGMMPGDHXQYQON-LBPRGKRZSA-N 0 0 275.270 3.566 10 0 CHAERN CCc1cccc(OCC(=O)c2ccc(F)cc2)c1 ZINC000035181662 172035639 /nfs/dbraw/zinc/03/56/39/172035639.db2.gz NNVUMXAENALXCB-UHFFFAOYSA-N 0 0 258.292 3.650 10 0 CHAERN COc1ccccc1C(=O)COc1cc(C)cc(C)c1 ZINC000035182360 172036141 /nfs/dbraw/zinc/03/61/41/172036141.db2.gz YBCHFQHATLAFSM-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN CSc1ccc(C(=O)CSCC(C)C)cc1 ZINC000035182935 172036627 /nfs/dbraw/zinc/03/66/27/172036627.db2.gz RVPJMNVPHVPNQR-UHFFFAOYSA-N 0 0 254.420 3.980 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(C)cc2C)cc1 ZINC000035183662 172036846 /nfs/dbraw/zinc/03/68/46/172036846.db2.gz NKALJLHTBOUNAP-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN C[C@@H](Oc1ccccc1F)C(=O)c1ccc(F)cc1 ZINC000035183555 172036950 /nfs/dbraw/zinc/03/69/50/172036950.db2.gz LRPWKJXBYUXXSQ-SNVBAGLBSA-N 0 0 262.255 3.615 10 0 CHAERN Cc1cccc(OCC(=O)c2cccc(Cl)c2)c1 ZINC000035183745 172037179 /nfs/dbraw/zinc/03/71/79/172037179.db2.gz WLGGWSYTXQWUPS-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN O=C(COc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035184130 172037221 /nfs/dbraw/zinc/03/72/21/172037221.db2.gz QIYRZHVVMWHYCG-UHFFFAOYSA-N 0 0 270.712 3.802 10 0 CHAERN O=C(COc1ccccc1)c1ccc(Br)s1 ZINC000035183925 172037241 /nfs/dbraw/zinc/03/72/41/172037241.db2.gz XZVHQKCWWNKFRA-UHFFFAOYSA-N 0 0 297.173 3.772 10 0 CHAERN Fc1cccc(CNc2ccc3c(c2)OC(F)(F)O3)c1F ZINC000035224360 172068581 /nfs/dbraw/zinc/06/85/81/172068581.db2.gz ZRXZTQISXCHLKS-UHFFFAOYSA-N 0 0 299.223 3.898 10 0 CHAERN Cc1ccc(C(=O)COc2c(C)cccc2C)cc1 ZINC000035224939 172069398 /nfs/dbraw/zinc/06/93/98/172069398.db2.gz QRPGWIJCINNFOD-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CC[C@@H](C)c1ccc([C@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324261 172126745 /nfs/dbraw/zinc/12/67/45/172126745.db2.gz ZJFICJPWXHWOQH-IUODEOHRSA-N 0 0 263.381 3.845 10 0 CHAERN [NH3+][C@H](CCCCC(=O)[O-])c1csc2ccccc21 ZINC000035324459 172126858 /nfs/dbraw/zinc/12/68/58/172126858.db2.gz LEYCJPFVVYZUQB-GFCCVEGCSA-N 0 0 263.362 3.546 10 0 CHAERN CCOCCNc1c(Cl)cccc1C(F)(F)F ZINC000035358947 172149503 /nfs/dbraw/zinc/14/95/03/172149503.db2.gz QDQIRODTAOPSHS-UHFFFAOYSA-N 0 0 267.678 3.807 10 0 CHAERN CCc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000035368825 172160335 /nfs/dbraw/zinc/16/03/35/172160335.db2.gz HWHKYUXAWKLPTO-UHFFFAOYSA-N 0 0 279.133 3.836 10 0 CHAERN COc1ccc(Br)cc1C(=O)c1ccoc1C ZINC000035369368 172160743 /nfs/dbraw/zinc/16/07/43/172160743.db2.gz YVUQNJIGWOZQFO-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN Cc1ccc(C(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000035369556 172161728 /nfs/dbraw/zinc/16/17/28/172161728.db2.gz QIBRINQDYOPBOS-UHFFFAOYSA-N 0 0 294.759 3.712 10 0 CHAERN O=Cc1c(Oc2ccccc2Cl)nc2ccccn21 ZINC000035433529 172201991 /nfs/dbraw/zinc/20/19/91/172201991.db2.gz GWMLEVAAKYYSDU-UHFFFAOYSA-N 0 0 272.691 3.593 10 0 CHAERN O=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn21 ZINC000035433531 172202049 /nfs/dbraw/zinc/20/20/49/172202049.db2.gz IQEYKZLGIXZPMG-UHFFFAOYSA-N 0 0 272.691 3.593 10 0 CHAERN CN[C@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035458745 172207490 /nfs/dbraw/zinc/20/74/90/172207490.db2.gz WKWJDTHMTDXUIG-SSDOTTSWSA-N 0 0 259.243 3.515 10 0 CHAERN CN[C@H](c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000035464433 172212290 /nfs/dbraw/zinc/21/22/90/172212290.db2.gz UDYFIRRYBKEQDH-CQSZACIVSA-N 0 0 267.706 3.927 10 0 CHAERN CCN[C@H](c1occc1C)c1cc(F)ccc1F ZINC000035543406 172250698 /nfs/dbraw/zinc/25/06/98/172250698.db2.gz YMILCBFZQZGLBO-ZDUSSCGKSA-N 0 0 251.276 3.565 10 0 CHAERN Clc1ccc(-c2nnc3ccccn32)c(Cl)c1 ZINC000035551953 172259200 /nfs/dbraw/zinc/25/92/00/172259200.db2.gz GPDOLVGDTCICAF-UHFFFAOYSA-N 0 0 264.115 3.703 10 0 CHAERN CCCN[C@@H](c1ccc(F)cc1F)C(F)(F)F ZINC000035581904 172278790 /nfs/dbraw/zinc/27/87/90/172278790.db2.gz AQBKKOXTDVKCMO-JTQLQIEISA-N 0 0 253.214 3.568 10 0 CHAERN C[C@@H](O)c1ccc(N2c3ccccc3C[C@H]2C)c(F)c1 ZINC000035631259 172312910 /nfs/dbraw/zinc/31/29/10/172312910.db2.gz WJUOKTOQYANLBZ-VXGBXAGGSA-N 0 0 271.335 3.962 10 0 CHAERN C[C@H](O)c1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000035631301 172313772 /nfs/dbraw/zinc/31/37/72/172313772.db2.gz OJMCMOKTGJDBCI-NSHDSACASA-N 0 0 251.345 3.648 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N(C)Cc1cccc(F)c1 ZINC000035631513 172313776 /nfs/dbraw/zinc/31/37/76/172313776.db2.gz NBSFSZSZLFMTCN-LLVKDONJSA-N 0 0 277.314 3.655 10 0 CHAERN CCc1ccc(OCCCCO)c(C(C)(C)C)c1 ZINC000035650190 172325885 /nfs/dbraw/zinc/32/58/85/172325885.db2.gz IAZJQNWOXBKTRX-UHFFFAOYSA-N 0 0 250.382 3.698 10 0 CHAERN Cc1c(N)cccc1COc1ccccc1Br ZINC000035649428 172326262 /nfs/dbraw/zinc/32/62/62/172326262.db2.gz DORDDFSOWJHNGM-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Nc1ccc(F)c(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000035651366 172327539 /nfs/dbraw/zinc/32/75/39/172327539.db2.gz ATIKIAFMPOGMEX-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cc1ccc(N)cc1OCc1ccc(F)cc1Cl ZINC000035678236 172349224 /nfs/dbraw/zinc/34/92/24/172349224.db2.gz AYWRHGCWTWMHSV-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1ccc2sc(N[C@H](C)[C@@H]3CCCO3)nc2c1 ZINC000035736368 172389049 /nfs/dbraw/zinc/38/90/49/172389049.db2.gz WAZFZASIDQBAHZ-PWSUYJOCSA-N 0 0 262.378 3.584 10 0 CHAERN C[C@@H](Nc1nc2cccc(Cl)c2s1)[C@@H]1CCCO1 ZINC000035736356 172389058 /nfs/dbraw/zinc/38/90/58/172389058.db2.gz SNEFPPSMNZZITJ-KCJUWKMLSA-N 0 0 282.796 3.929 10 0 CHAERN C[C@@H](Nc1ccnc2cc(Cl)ccc21)[C@@H]1CCCO1 ZINC000035736204 172389486 /nfs/dbraw/zinc/38/94/86/172389486.db2.gz CMUMDHCDYVYCCW-BMIGLBTASA-N 0 0 276.767 3.868 10 0 CHAERN C[C@H](Nc1ccc(Br)cn1)c1ccco1 ZINC000035739518 172393881 /nfs/dbraw/zinc/39/38/81/172393881.db2.gz QGPVCBUUVACFKA-QMMMGPOBSA-N 0 0 267.126 3.610 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@H]1C1CCCCC1 ZINC000036113715 172444460 /nfs/dbraw/zinc/44/44/60/172444460.db2.gz DXTGJEQMSDNSEE-QGZVFWFLSA-N 0 0 257.377 3.713 10 0 CHAERN CN(Cc1ccc(F)cc1)c1ccc(N)cc1Cl ZINC000036131668 172453491 /nfs/dbraw/zinc/45/34/91/172453491.db2.gz YVPVDOVFHAVUQD-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN Nc1cccc(Nc2ccc(F)cc2Br)c1 ZINC000036720429 172657201 /nfs/dbraw/zinc/65/72/01/172657201.db2.gz JBEHBLGHSWLFTJ-UHFFFAOYSA-N 0 0 281.128 3.914 10 0 CHAERN CCN[C@H](c1ccco1)c1ccc(OC)cc1Cl ZINC000036768600 172686567 /nfs/dbraw/zinc/68/65/67/172686567.db2.gz OXOBUCIIMPOMFT-AWEZNQCLSA-N 0 0 265.740 3.641 10 0 CHAERN Cc1ccc(SCC(=O)c2cc(F)ccc2O)cc1 ZINC000036882315 172778535 /nfs/dbraw/zinc/77/85/35/172778535.db2.gz WYLAIKRMKNWWNT-UHFFFAOYSA-N 0 0 276.332 3.815 10 0 CHAERN CCc1c(N)n(-c2ccccc2)nc1C1CCCC1 ZINC000036916402 172801580 /nfs/dbraw/zinc/80/15/80/172801580.db2.gz QWCIAZAKAYQESL-UHFFFAOYSA-N 0 0 255.365 3.675 10 0 CHAERN C[C@@H]1CCC[C@H](C)C1Nc1cc(C(N)=O)ccc1Cl ZINC000036943148 172818870 /nfs/dbraw/zinc/81/88/70/172818870.db2.gz VASFUEBJZWXGNJ-XFLKPENQSA-N 0 0 280.799 3.676 10 0 CHAERN CC[C@@H](C)C(=O)c1cc(OC)c(OC)cc1Cl ZINC000036946087 172821610 /nfs/dbraw/zinc/82/16/10/172821610.db2.gz WIEDSPZDWRASMA-MRVPVSSYSA-N 0 0 256.729 3.586 10 0 CHAERN COC(=O)c1ccc(F)c(N[C@@H](C)c2cccs2)c1 ZINC000036959029 172828499 /nfs/dbraw/zinc/82/84/99/172828499.db2.gz UITAPKFUDASHIZ-VIFPVBQESA-N 0 0 279.336 3.847 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1N(C)C)c1cccnc1 ZINC000037127242 172972828 /nfs/dbraw/zinc/97/28/28/172972828.db2.gz KHMSACKFDIEGCR-NSHDSACASA-N 0 0 275.783 3.974 10 0 CHAERN Nc1ccc(SCC23CC4CC(CC(C4)C2)C3)cn1 ZINC000037192189 173020839 /nfs/dbraw/zinc/02/08/39/173020839.db2.gz LXTYODMLZJOAQS-UHFFFAOYSA-N 0 0 274.433 3.972 10 0 CHAERN Nc1ccc(SCc2ccccc2Cl)cn1 ZINC000037192657 173022172 /nfs/dbraw/zinc/02/21/72/173022172.db2.gz LAXBQQMJQILTHD-UHFFFAOYSA-N 0 0 250.754 3.610 10 0 CHAERN Cc1ccc2sc([C@@H](N)c3ccccc3)nc2c1 ZINC000037204456 173026630 /nfs/dbraw/zinc/02/66/30/173026630.db2.gz OMSJIFRSTQJVIK-AWEZNQCLSA-N 0 0 254.358 3.653 10 0 CHAERN COc1cc(CNc2cccc(O)c2)cc(Cl)c1OC ZINC000037237869 173055235 /nfs/dbraw/zinc/05/52/35/173055235.db2.gz NJHKSRIDLRYARI-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1cnc2ccccc2c1 ZINC000037284144 173091097 /nfs/dbraw/zinc/09/10/97/173091097.db2.gz BOZKFNHPEHUGGZ-JKSUJKDBSA-N 0 0 256.349 3.604 10 0 CHAERN Oc1cccc2c(N[C@@H]3C[C@H]4CC=C[C@@H]43)cccc12 ZINC000037316956 173117437 /nfs/dbraw/zinc/11/74/37/173117437.db2.gz IYJUBRKUOAKQSK-BFQNTYOBSA-N 0 0 251.329 3.922 10 0 CHAERN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1C ZINC000037323262 173123040 /nfs/dbraw/zinc/12/30/40/173123040.db2.gz ONUKMTIHULOKHS-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN Oc1ccccc1OCc1ccc2ncccc2c1 ZINC000037324233 173125044 /nfs/dbraw/zinc/12/50/44/173125044.db2.gz CAMODYHDKFNTAO-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN CCC(C)(C)Nc1ccc(C(F)(F)F)cc1C(N)=S ZINC000037334328 173135926 /nfs/dbraw/zinc/13/59/26/173135926.db2.gz KIMCIZVXEQMNRQ-UHFFFAOYSA-N 0 0 290.354 3.940 10 0 CHAERN Cc1cc(C)n(CC(=O)c2ccc(C(C)C)cc2)n1 ZINC000037340725 173142629 /nfs/dbraw/zinc/14/26/29/173142629.db2.gz UESARHHTJLHKKD-UHFFFAOYSA-N 0 0 256.349 3.506 10 0 CHAERN C[C@H]1CCCC[C@@H]1OCC(=O)c1ccc(F)cc1F ZINC000037343601 173143083 /nfs/dbraw/zinc/14/30/83/173143083.db2.gz VKYBKULRUKYTAT-BONVTDFDSA-N 0 0 268.303 3.743 10 0 CHAERN CCC[C@@H](C)c1[nH]nc(N)c1-c1ccccc1OC ZINC000037349156 173144257 /nfs/dbraw/zinc/14/42/57/173144257.db2.gz STOGULTVLSHVHG-SNVBAGLBSA-N 0 0 259.353 3.571 10 0 CHAERN CCCc1cc(Cl)nc(-c2cccc(OC)c2OC)n1 ZINC000037409208 173185605 /nfs/dbraw/zinc/18/56/05/173185605.db2.gz QPLOBNDOUIPZMW-UHFFFAOYSA-N 0 0 292.766 3.767 10 0 CHAERN CCCN(C)CC(=O)c1cc(Cl)ccc1Cl ZINC000037415070 173191526 /nfs/dbraw/zinc/19/15/26/173191526.db2.gz RXUUWVXEVHMGRT-UHFFFAOYSA-N 0 0 260.164 3.518 10 0 CHAERN Cc1ccc2c(c1)nc(-c1ccc(Cl)cc1N)n2C ZINC000037437831 173208095 /nfs/dbraw/zinc/20/80/95/173208095.db2.gz DGPVQXLXFQETBC-UHFFFAOYSA-N 0 0 271.751 3.784 10 0 CHAERN Cc1ccc2c(c1)nc(-c1cccc(C)c1O)n2C ZINC000037438820 173209792 /nfs/dbraw/zinc/20/97/92/173209792.db2.gz HRPJMUUGIRXXNL-UHFFFAOYSA-N 0 0 252.317 3.563 10 0 CHAERN Cc1ccc(-c2nc3cc(Cl)ccc3n2C)cc1N ZINC000037440308 173210028 /nfs/dbraw/zinc/21/00/28/173210028.db2.gz JQKJZHUUDAMOHU-UHFFFAOYSA-N 0 0 271.751 3.784 10 0 CHAERN O[C@H](Cc1cccc(Br)c1)c1cccs1 ZINC000037464503 173225610 /nfs/dbraw/zinc/22/56/10/173225610.db2.gz QJPHTWBUQZVEKU-LLVKDONJSA-N 0 0 283.190 3.787 10 0 CHAERN CCc1ccccc1OCc1c(C)nn(C)c1Cl ZINC000037515519 173246485 /nfs/dbraw/zinc/24/64/85/173246485.db2.gz WRMIYAYARNLMHQ-UHFFFAOYSA-N 0 0 264.756 3.523 10 0 CHAERN CCC[C@@](O)(c1ccccc1)c1cccc(OC)c1 ZINC000037529338 173253001 /nfs/dbraw/zinc/25/30/01/173253001.db2.gz SOFCVANVMYLRFL-QGZVFWFLSA-N 0 0 256.345 3.731 10 0 CHAERN COc1cccc([C@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532129 173253372 /nfs/dbraw/zinc/25/33/72/173253372.db2.gz ANFBUUGYNOHVJN-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037532269 173253672 /nfs/dbraw/zinc/25/36/72/173253672.db2.gz GZBYNOJDUJHJQN-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN Cc1cccc(C[C@@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532656 173253796 /nfs/dbraw/zinc/25/37/96/173253796.db2.gz LLGBTTCIGAUQSK-INIZCTEOSA-N 0 0 260.764 3.795 10 0 CHAERN O[C@H](Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000037532300 173253931 /nfs/dbraw/zinc/25/39/31/173253931.db2.gz NZMABTJKENWWTP-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN COC(=O)c1sc(NC2CCC(C)CC2)nc1Cl ZINC000037563345 173511419 /nfs/dbraw/zinc/51/14/19/173511419.db2.gz BOCZWCLVYJSUCZ-UHFFFAOYSA-N 0 0 288.800 3.574 10 0 CHAERN CCC[C@H](C)CNc1ccc(C)cc1OCCOC ZINC000037779085 173709751 /nfs/dbraw/zinc/70/97/51/173709751.db2.gz WDHWXUURLOCQQA-AWEZNQCLSA-N 0 0 265.397 3.868 10 0 CHAERN COC(=O)[C@](C)(NC1CCCCC1)c1ccccc1Cl ZINC000037971902 173924050 /nfs/dbraw/zinc/92/40/50/173924050.db2.gz FPYJAVGYDAYGDP-MRXNPFEDSA-N 0 0 295.810 3.651 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)o1 ZINC000037976462 173932438 /nfs/dbraw/zinc/93/24/38/173932438.db2.gz HYSYIIKTGNTNET-MRVPVSSYSA-N 0 0 299.157 3.781 10 0 CHAERN Fc1ccc(Oc2nsnc2Cl)c(Cl)c1 ZINC000037981637 173941994 /nfs/dbraw/zinc/94/19/94/173941994.db2.gz LCVLIIJLOPWJOY-UHFFFAOYSA-N 0 0 265.096 3.776 10 0 CHAERN C[C@H](NC(=O)c1ccnc(Cl)c1)c1cc(F)ccc1F ZINC000037983491 173944541 /nfs/dbraw/zinc/94/45/41/173944541.db2.gz WCSUFNXZDSFVJQ-QMMMGPOBSA-N 0 0 296.704 3.504 10 0 CHAERN CC(C)C[C@@H](C)N(C)C(=O)c1nc(Cl)ccc1Cl ZINC000037984253 173945861 /nfs/dbraw/zinc/94/58/61/173945861.db2.gz WUBUVAXXIOJQAU-SECBINFHSA-N 0 0 289.206 3.895 10 0 CHAERN O=C([O-])C[C@@H]1CCCC[N@@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000038027414 174013830 /nfs/dbraw/zinc/01/38/30/174013830.db2.gz KTXPVYSFTMMYQW-KUNBBXKYSA-N 0 0 291.435 3.532 10 0 CHAERN C[C@H](c1ccc(F)c(F)c1)N1CCc2c(N)cccc2C1 ZINC000038032655 174028868 /nfs/dbraw/zinc/02/88/68/174028868.db2.gz BAZDSNIXZFHHNJ-LLVKDONJSA-N 0 0 288.341 3.666 10 0 CHAERN CCCC[C@H](NCc1nc(C)no1)c1ccc(F)cc1 ZINC000038034300 174032926 /nfs/dbraw/zinc/03/29/26/174032926.db2.gz NQAKDQUNBWADPJ-AWEZNQCLSA-N 0 0 277.343 3.538 10 0 CHAERN Cc1ccc(F)cc1Nc1c(F)cc(N)cc1F ZINC000038040011 174040422 /nfs/dbraw/zinc/04/04/22/174040422.db2.gz FWTZEEXDFAWOFS-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN Nc1cc(F)c(Nc2cccc3cnccc32)c(F)c1 ZINC000038040204 174040541 /nfs/dbraw/zinc/04/05/41/174040541.db2.gz GRDNKGAWNFGWTI-UHFFFAOYSA-N 0 0 271.270 3.839 10 0 CHAERN C[C@@H](C(=O)c1ccc(Cl)cc1)n1cc(Cl)cn1 ZINC000038053764 174065363 /nfs/dbraw/zinc/06/53/63/174065363.db2.gz GSQUDCZJLUOUOR-QMMMGPOBSA-N 0 0 269.131 3.634 10 0 CHAERN Cc1ccsc1C(=O)c1ccc2c(c1)CCCO2 ZINC000038057618 174068390 /nfs/dbraw/zinc/06/83/90/174068390.db2.gz MUZWCEOOPNXLOQ-UHFFFAOYSA-N 0 0 258.342 3.613 10 0 CHAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000038066107 174077675 /nfs/dbraw/zinc/07/76/75/174077675.db2.gz NDWYUBFUFIOZFC-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000038067324 174079012 /nfs/dbraw/zinc/07/90/12/174079012.db2.gz LWFCIOARYYREPS-PELKAZGASA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1cccc(Cl)c1 ZINC000038067736 174079871 /nfs/dbraw/zinc/07/98/71/174079871.db2.gz XGUMBNNNKXBJOC-IAQYHMDHSA-N 0 0 283.799 3.506 10 0 CHAERN Cc1ncc(N)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000038094978 174108583 /nfs/dbraw/zinc/10/85/83/174108583.db2.gz DQKVEBSBGREMGB-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN O=C(Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000038126345 174130685 /nfs/dbraw/zinc/13/06/85/174130685.db2.gz ATJNYEBUOLLSFO-UHFFFAOYSA-N 0 0 250.219 3.529 10 0 CHAERN O=c1cc2[nH][nH]c(Cc3ccccc3)c-2cc1Cl ZINC000038219138 174137477 /nfs/dbraw/zinc/13/74/77/174137477.db2.gz PKCICKWXQNXFPS-UHFFFAOYSA-N 0 0 258.708 3.513 10 0 CHAERN O=Cc1cccc(-c2cccc(C(F)(F)F)c2)n1 ZINC000038846158 174157811 /nfs/dbraw/zinc/15/78/11/174157811.db2.gz GQXFYLBCLLEBNZ-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN O=C1O[C@H](Oc2ccc(Cl)cc2)c2ccccc21 ZINC000039043715 174161642 /nfs/dbraw/zinc/16/16/42/174161642.db2.gz MEYUYUXDMPHYCD-AWEZNQCLSA-N 0 0 260.676 3.588 10 0 CHAERN O=C(C[C@@H]1C(=O)CCc2ccccc21)c1ccccc1 ZINC000039194499 174164926 /nfs/dbraw/zinc/16/49/26/174164926.db2.gz CTMLFTIHVVMDFE-INIZCTEOSA-N 0 0 264.324 3.559 10 0 CHAERN Cc1cc(-c2ccccc2)c2c(n1)[C@H](C(N)=S)CCC2 ZINC000039204800 174165402 /nfs/dbraw/zinc/16/54/02/174165402.db2.gz MDCWNIQJTPGYSI-CQSZACIVSA-N 0 0 282.412 3.763 10 0 CHAERN CC(=O)Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 ZINC000039239923 174166974 /nfs/dbraw/zinc/16/69/74/174166974.db2.gz LOZRYTYYCUFGQM-UHFFFAOYSA-N 0 0 285.387 3.993 10 0 CHAERN Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1F ZINC000039239911 174166991 /nfs/dbraw/zinc/16/69/91/174166991.db2.gz CKQXQOGNLBRPBS-UHFFFAOYSA-N 0 0 261.340 3.756 10 0 CHAERN CCOC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 ZINC000040167180 174199048 /nfs/dbraw/zinc/19/90/48/174199048.db2.gz COHLHSCULFPTJB-UHFFFAOYSA-N 0 0 289.400 3.815 10 0 CHAERN OCc1ccc(O[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000040176623 174202066 /nfs/dbraw/zinc/20/20/66/174202066.db2.gz NMFJKMJRTMXYCJ-MRXNPFEDSA-N 0 0 272.319 3.774 10 0 CHAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NC(C)C ZINC000040178783 174202773 /nfs/dbraw/zinc/20/27/73/174202773.db2.gz MDPZWIJFZHNNLK-UHFFFAOYSA-N 0 0 257.333 3.702 10 0 CHAERN CCCNC(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000040178994 174203009 /nfs/dbraw/zinc/20/30/09/174203009.db2.gz IVDHVDDGMOEBMN-UHFFFAOYSA-N 0 0 269.344 3.927 10 0 CHAERN Cc1cccc(Oc2ccc(C(=O)NC(C)C)cc2)c1 ZINC000040178983 174203029 /nfs/dbraw/zinc/20/30/29/174203029.db2.gz UGXRXNHENCIJHM-UHFFFAOYSA-N 0 0 269.344 3.926 10 0 CHAERN COc1ccccc1C[C@H](O)c1ccc(Cl)cc1 ZINC000040243929 174214275 /nfs/dbraw/zinc/21/42/75/174214275.db2.gz JQXKGOBEKLNIDY-AWEZNQCLSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](c1cccs1)c1cc(Br)ccc1F ZINC000040247613 174214887 /nfs/dbraw/zinc/21/48/87/174214887.db2.gz ZENSFSRYSCOPPG-LLVKDONJSA-N 0 0 287.153 3.731 10 0 CHAERN Cc1cc2nc(CCCO)n(Cc3ccccc3)c2cc1C ZINC000040310943 174230233 /nfs/dbraw/zinc/23/02/33/174230233.db2.gz WTONXNJFEPYEPX-UHFFFAOYSA-N 0 0 294.398 3.626 10 0 CHAERN C[C@H](Oc1cccc(N)c1)C(=O)c1ccc(Cl)cc1 ZINC000040353646 174245303 /nfs/dbraw/zinc/24/53/03/174245303.db2.gz DJDJHJHPGFTORM-JTQLQIEISA-N 0 0 275.735 3.572 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C)c(C)c2)c(N)c1 ZINC000040354376 174245415 /nfs/dbraw/zinc/24/54/15/174245415.db2.gz YULGAXSGRIPAOZ-AWEZNQCLSA-N 0 0 283.371 3.844 10 0 CHAERN CC[C@H](Oc1ccc(C)cc1N)C(=O)c1ccc(F)cc1 ZINC000040354737 174245520 /nfs/dbraw/zinc/24/55/20/174245520.db2.gz FBEGZSHYOJZDRO-HNNXBMFYSA-N 0 0 287.334 3.757 10 0 CHAERN CC(C)Oc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683347 174375352 /nfs/dbraw/zinc/37/53/52/174375352.db2.gz XAVPCQRDKXMKRA-UHFFFAOYSA-N 0 0 295.342 3.792 10 0 CHAERN CCCNc1ncnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704775 174379071 /nfs/dbraw/zinc/37/90/71/174379071.db2.gz KDGIXJNVOAEETH-UHFFFAOYSA-N 0 0 291.786 3.586 10 0 CHAERN CCN(CC)c1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040705988 174379329 /nfs/dbraw/zinc/37/93/29/174379329.db2.gz XOIFYDOZIPMZMF-UHFFFAOYSA-N 0 0 299.422 3.772 10 0 CHAERN CCNc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N ZINC000040707492 174379431 /nfs/dbraw/zinc/37/94/31/174379431.db2.gz NULDGWUWNISCCS-UHFFFAOYSA-N 0 0 292.770 3.553 10 0 CHAERN Cc1ccc(Nc2ncnc(NC3CCCCC3)c2N)cc1 ZINC000040708583 174380244 /nfs/dbraw/zinc/38/02/44/174380244.db2.gz LOJRJRASPKJVDD-UHFFFAOYSA-N 0 0 297.406 3.855 10 0 CHAERN CCCNc1ncnc(Nc2cccc3ccccc32)c1N ZINC000040707719 174380250 /nfs/dbraw/zinc/38/02/50/174380250.db2.gz GQDRQZOKYCFNRZ-UHFFFAOYSA-N 0 0 293.374 3.778 10 0 CHAERN Nc1c(Nc2ccccc2)ncnc1Sc1ccccc1 ZINC000040781052 174404916 /nfs/dbraw/zinc/40/49/16/174404916.db2.gz YTGFRMCYXKBMCX-UHFFFAOYSA-N 0 0 294.383 3.954 10 0 CHAERN CCCCC(=O)NC(=S)Nc1c(C)cccc1CC ZINC000040898096 174429256 /nfs/dbraw/zinc/42/92/56/174429256.db2.gz GIQODQKKLPGCDI-UHFFFAOYSA-N 0 0 278.421 3.561 10 0 CHAERN Cc1cc(Cl)ccc1NC(=S)NC(=O)C(C)(C)C ZINC000040897993 174429392 /nfs/dbraw/zinc/42/93/92/174429392.db2.gz AGOUKTLCIUMICU-UHFFFAOYSA-N 0 0 284.812 3.508 10 0 CHAERN Cc1ccc(NC(=S)NC(=O)CC(C)(C)C)c(C)c1 ZINC000040902110 174429522 /nfs/dbraw/zinc/42/95/22/174429522.db2.gz VDIUUEQDJSHTML-UHFFFAOYSA-N 0 0 278.421 3.553 10 0 CHAERN Cc1c(N)cccc1C(=O)c1ccc(Cl)s1 ZINC000041321719 174518169 /nfs/dbraw/zinc/51/81/69/174518169.db2.gz PVUGLCMKWJSSHN-UHFFFAOYSA-N 0 0 251.738 3.523 10 0 CHAERN O[C@H](c1ccccc1F)c1c(F)cccc1Cl ZINC000041324715 174521424 /nfs/dbraw/zinc/52/14/24/174521424.db2.gz RNPQRXWEYSNWSV-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN OCCCCNc1ccc(Cl)cc1C(F)(F)F ZINC000043445331 175047916 /nfs/dbraw/zinc/04/79/16/175047916.db2.gz MVMSHSYOAZAYGI-UHFFFAOYSA-N 0 0 267.678 3.543 10 0 CHAERN COc1ccc2c(c1)C=CC(C(F)(F)F)(C(F)(F)F)O2 ZINC000043464961 175052586 /nfs/dbraw/zinc/05/25/86/175052586.db2.gz MWPINCKQRUEAKD-UHFFFAOYSA-N 0 0 298.182 3.964 10 0 CHAERN Oc1ccc(CNc2c(F)cccc2F)cc1Cl ZINC000043477401 175055075 /nfs/dbraw/zinc/05/50/75/175055075.db2.gz WBRSIDWVVSRCRP-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN CCOC(=O)[C@H](C)Nc1ccc(Cl)cc1C(F)(F)F ZINC000043637620 175083627 /nfs/dbraw/zinc/08/36/27/175083627.db2.gz HDXYEMIVNQPMQK-ZETCQYMHSA-N 0 0 295.688 3.722 10 0 CHAERN O[C@@H]1c2ccccc2CC[C@H]1Cc1cccc(F)c1 ZINC000043659554 175085851 /nfs/dbraw/zinc/08/58/51/175085851.db2.gz RFXUSPQZOHVGEL-YOEHRIQHSA-N 0 0 256.320 3.664 10 0 CHAERN C[C@H](NCc1sccc1Br)c1ccncc1 ZINC000043674937 175088338 /nfs/dbraw/zinc/08/83/38/175088338.db2.gz KAPOWIDIJUYSEF-VIFPVBQESA-N 0 0 297.221 3.756 10 0 CHAERN FC(F)(F)COCc1sccc1Br ZINC000043679142 175089569 /nfs/dbraw/zinc/08/95/69/175089569.db2.gz HKKOEKXQIKQQHD-UHFFFAOYSA-N 0 0 275.089 3.590 10 0 CHAERN Brc1ccsc1COCCc1ccccn1 ZINC000043679117 175089751 /nfs/dbraw/zinc/08/97/51/175089751.db2.gz WBVKMKDZXZQALQ-UHFFFAOYSA-N 0 0 298.205 3.665 10 0 CHAERN Cc1cccc(OCc2cc(Br)cs2)c1N ZINC000043686621 175094284 /nfs/dbraw/zinc/09/42/84/175094284.db2.gz QHHXJSRGZWRFSM-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN CC[C@@H](Cc1cc(Br)cs1)C(C)=O ZINC000043687985 175094854 /nfs/dbraw/zinc/09/48/54/175094854.db2.gz LMPNTSNKTCHGDA-QMMMGPOBSA-N 0 0 261.184 3.668 10 0 CHAERN Clc1cc(-c2ccncc2)nc(-c2ccccc2)n1 ZINC000044119236 175142069 /nfs/dbraw/zinc/14/20/69/175142069.db2.gz CDRNYCVJKFOSCR-UHFFFAOYSA-N 0 0 267.719 3.859 10 0 CHAERN Cc1ccccc1-c1nc(Br)cs1 ZINC000044119091 175142122 /nfs/dbraw/zinc/14/21/22/175142122.db2.gz RYSFLYINNZKEOM-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN COc1ccccc1-c1ncc(Br)s1 ZINC000044120498 175142483 /nfs/dbraw/zinc/14/24/83/175142483.db2.gz KAOSROQZUMECQX-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN O=C(c1ccc(F)c(F)c1)N(Cc1ccsc1)C1CC1 ZINC000044446531 175176014 /nfs/dbraw/zinc/17/60/14/175176014.db2.gz OISRJFUHZIDNSR-UHFFFAOYSA-N 0 0 293.338 3.831 10 0 CHAERN O=c1cc(-c2ccccc2O)oc2ccc(Cl)cc12 ZINC000044545660 175201781 /nfs/dbraw/zinc/20/17/81/175201781.db2.gz GMSXAXYCOGRUCA-UHFFFAOYSA-N 0 0 272.687 3.819 10 0 CHAERN C[C@@H](O)c1ccccc1N1CCC[C@@H]1C1CCCC1 ZINC000045084239 175303799 /nfs/dbraw/zinc/30/37/99/175303799.db2.gz ZODCBZXGGUADEE-CZUORRHYSA-N 0 0 259.393 3.899 10 0 CHAERN CCOC(=O)c1cc(/C=C\c2ccnc3ccccc23)on1 ZINC000045245077 175336413 /nfs/dbraw/zinc/33/64/13/175336413.db2.gz WYXZJYQWDLYQQF-FPLPWBNLSA-N 0 0 294.310 3.570 10 0 CHAERN CCOC(=O)c1cc(/C=C/c2ccnc3ccccc23)on1 ZINC000045253563 175336575 /nfs/dbraw/zinc/33/65/75/175336575.db2.gz WYXZJYQWDLYQQF-BQYQJAHWSA-N 0 0 294.310 3.570 10 0 CHAERN CCOC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)C(C)C ZINC000045923687 175386986 /nfs/dbraw/zinc/38/69/86/175386986.db2.gz QJEITRUHFRWUQB-OAHLLOKOSA-N 0 0 278.392 3.951 10 0 CHAERN Cc1ccc(OCC(=O)c2ccco2)c(Br)c1 ZINC000047821119 175414057 /nfs/dbraw/zinc/41/40/57/175414057.db2.gz UYSMIPNSOBXSHE-UHFFFAOYSA-N 0 0 295.132 3.612 10 0 CHAERN C[C@@H](O)c1ccc(SCc2ccco2)c(F)c1 ZINC000058823292 175628702 /nfs/dbraw/zinc/62/87/02/175628702.db2.gz FYZXGKPDHBYWNC-SECBINFHSA-N 0 0 252.310 3.764 10 0 CHAERN CNc1nc(C)cc(Sc2ccc(Cl)cc2)n1 ZINC000058825782 175628970 /nfs/dbraw/zinc/62/89/70/175628970.db2.gz GAARHQHAOZNOCW-UHFFFAOYSA-N 0 0 265.769 3.631 10 0 CHAERN COC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000066345368 175757385 /nfs/dbraw/zinc/75/73/85/175757385.db2.gz GYFAAZMGGUQWKI-UHFFFAOYSA-N 0 0 287.262 3.616 10 0 CHAERN CC(=O)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000070848580 176008776 /nfs/dbraw/zinc/00/87/76/176008776.db2.gz SRIKHEZGXUDRTG-UHFFFAOYSA-N 0 0 251.738 3.590 10 0 CHAERN CC(=O)c1csc(Cc2ccc(Br)cc2)n1 ZINC000070848353 176008793 /nfs/dbraw/zinc/00/87/93/176008793.db2.gz ADBWTNPABYBJKP-UHFFFAOYSA-N 0 0 296.189 3.699 10 0 CHAERN COc1ccc(C[C@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000071169340 176049818 /nfs/dbraw/zinc/04/98/18/176049818.db2.gz KYSPEASARKORMJ-INIZCTEOSA-N 0 0 276.763 3.799 10 0 CHAERN Cc1c(Cl)nnc(N[C@@H](C)CCc2ccco2)c1C ZINC000071186867 176060380 /nfs/dbraw/zinc/06/03/80/176060380.db2.gz CJKJYPYCPQATGD-VIFPVBQESA-N 0 0 279.771 3.773 10 0 CHAERN CC(C)(C)Cc1cc(N)n(Cc2ccccc2Cl)n1 ZINC000071194129 176075888 /nfs/dbraw/zinc/07/58/88/176075888.db2.gz PWLHVWXIRLRWEI-UHFFFAOYSA-N 0 0 277.799 3.756 10 0 CHAERN C[C@H]1CCC[C@@H]1Nc1nnc(Cl)c2ccccc21 ZINC000071210658 176082888 /nfs/dbraw/zinc/08/28/88/176082888.db2.gz JNSNAAJTPQQOAI-CABZTGNLSA-N 0 0 261.756 3.884 10 0 CHAERN CCc1cccc(C)c1NCc1cnn2ccccc12 ZINC000071373115 176138247 /nfs/dbraw/zinc/13/82/47/176138247.db2.gz UMJVIPCNFZXVBO-UHFFFAOYSA-N 0 0 265.360 3.817 10 0 CHAERN C[C@H]1CCN(Cc2ccccc2)c2ccccc2N1 ZINC000071373303 176138893 /nfs/dbraw/zinc/13/88/93/176138893.db2.gz XNMMBZALYPPNDV-AWEZNQCLSA-N 0 0 252.361 3.897 10 0 CHAERN CC(C)c1nc(Br)c2ccccc2n1 ZINC000072192213 176336536 /nfs/dbraw/zinc/33/65/36/176336536.db2.gz GNLXBXDXDSFIOI-UHFFFAOYSA-N 0 0 251.127 3.516 10 0 CHAERN Fc1ccc(-c2scnc2Br)cc1 ZINC000072192332 176336554 /nfs/dbraw/zinc/33/65/54/176336554.db2.gz NBWQKHAJJGOXKP-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN Fc1cc(F)cc(-c2nc(Cl)cc(Cl)n2)c1 ZINC000072193244 176336610 /nfs/dbraw/zinc/33/66/10/176336610.db2.gz BTHFJZPJRBSVIT-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN Nc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(F)c1 ZINC000072237472 176346067 /nfs/dbraw/zinc/34/60/67/176346067.db2.gz IBVWBZKPJGAOCW-UHFFFAOYSA-N 0 0 286.228 3.801 10 0 CHAERN Cc1[nH]nc2c1[C@@H](O)C[C@H](c1ccc(C(C)C)cc1)C2 ZINC000072415159 176399490 /nfs/dbraw/zinc/39/94/90/176399490.db2.gz URGIKBWPMHYLKC-ZBFHGGJFSA-N 0 0 270.376 3.605 10 0 CHAERN COc1ccc2c(c1)[nH]c(=S)n2-c1ccccc1F ZINC000075953802 176844015 /nfs/dbraw/zinc/84/40/15/176844015.db2.gz IXJASGQHZOSXEA-UHFFFAOYSA-N 0 0 274.320 3.836 10 0 CHAERN COc1ccc2c(c1)nc(-c1ccccc1N)n2C(C)C ZINC000076045313 176889928 /nfs/dbraw/zinc/88/99/28/176889928.db2.gz IPMZRRCBZDJLCL-UHFFFAOYSA-N 0 0 281.359 3.875 10 0 CHAERN CC1CCC2(CC1)Nc1cc(Cl)ccc1NC2=O ZINC000076882478 177126324 /nfs/dbraw/zinc/12/63/24/177126324.db2.gz HKANRSVFVRZESY-UHFFFAOYSA-N 0 0 264.756 3.653 10 0 CHAERN Cc1cc(Oc2ccc3ccccc3c2)ncc1N ZINC000077431545 177267165 /nfs/dbraw/zinc/26/71/65/177267165.db2.gz RZMQETWUBCMWBB-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1cc2nc(-c3ccccc3)c(C)c(Cl)n2n1 ZINC000079032571 177418532 /nfs/dbraw/zinc/41/85/32/177418532.db2.gz FTHJAHLQYKOLLU-UHFFFAOYSA-N 0 0 257.724 3.667 10 0 CHAERN CC(C)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000171747890 335077353 /nfs/dbraw/zinc/07/73/53/335077353.db2.gz VJDZZWZEEJHSGP-KBPBESRZSA-N 0 0 295.373 3.961 10 0 CHAERN C[C@H](N[C@@H]1C[C@H]1c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000329151478 227329521 /nfs/dbraw/zinc/32/95/21/227329521.db2.gz SIXJWAYOCUUAAW-FPMFFAJLSA-N 0 0 285.391 3.574 10 0 CHAERN Cc1nnc(N[C@H]2CCC[C@@H]2c2ccc(F)cc2)s1 ZINC000301400366 227529104 /nfs/dbraw/zinc/52/91/04/227529104.db2.gz BRVLOXNBHUDFCL-OLZOCXBDSA-N 0 0 277.368 3.734 10 0 CHAERN Cc1nnc(N[C@H]2CC[C@@H](C)c3ccccc32)nc1C ZINC000330057851 228028463 /nfs/dbraw/zinc/02/84/63/228028463.db2.gz YDDYCNONFAENJM-BMIGLBTASA-N 0 0 268.364 3.539 10 0 CHAERN C[C@H]1CC(c2noc([C@@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)C[C@H](C)C1 ZINC000333468773 228201402 /nfs/dbraw/zinc/20/14/02/228201402.db2.gz ANUWAUILYZBOCJ-KHQUWSPVSA-N 0 0 288.391 3.692 10 0 CHAERN O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179549872 260054630 /nfs/dbraw/zinc/05/46/30/260054630.db2.gz GTCCRIJCTFRYTI-GOEBONIOSA-N 0 0 288.366 3.611 10 0 CHAERN O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)CCN2 ZINC000037029089 260063312 /nfs/dbraw/zinc/06/33/12/260063312.db2.gz IQPRFTLEHFDVQC-UHFFFAOYSA-N 0 0 290.725 3.699 10 0 CHAERN O=C(Nc1ncccc1Cl)[C@H]1C[C@@H]1C1CCCCC1 ZINC000179974566 260084944 /nfs/dbraw/zinc/08/49/44/260084944.db2.gz PNHZVSOSLFYTIP-NEPJUHHUSA-N 0 0 278.783 3.890 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(CC(F)F)C2CC2)CC(C)(C)C1 ZINC000180279274 260097858 /nfs/dbraw/zinc/09/78/58/260097858.db2.gz CUVBYUNKLSGLJT-GHMZBOCLSA-N 0 0 273.367 3.705 10 0 CHAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccncc1 ZINC000037779495 260116639 /nfs/dbraw/zinc/11/66/39/260116639.db2.gz VEKHHCBWQRYOAK-GFCCVEGCSA-N 0 0 265.316 3.910 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(C)cc1Br ZINC000229643325 260135916 /nfs/dbraw/zinc/13/59/16/260135916.db2.gz PMHKKFPJVNQPJS-GXFFZTMASA-N 0 0 296.208 3.676 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(C(C)C)cc2)o1 ZINC000220920202 260141134 /nfs/dbraw/zinc/14/11/34/260141134.db2.gz HWFSDIRAJVITOS-CYBMUJFWSA-N 0 0 258.365 3.957 10 0 CHAERN CCCn1ccc(CNc2cccc(COC)c2)c1 ZINC000091010242 260264675 /nfs/dbraw/zinc/26/46/75/260264675.db2.gz ZEOBSVARVJZRIJ-UHFFFAOYSA-N 0 0 258.365 3.657 10 0 CHAERN CCCn1ccc(CNc2ccc(F)cc2OC)c1 ZINC000091012932 260264793 /nfs/dbraw/zinc/26/47/93/260264793.db2.gz ISVNUKIZHHBJDZ-UHFFFAOYSA-N 0 0 262.328 3.658 10 0 CHAERN CSc1ccc(C(=O)Nc2ccc3c(c2)CCN3)cc1 ZINC000092232007 260268644 /nfs/dbraw/zinc/26/86/44/260268644.db2.gz JVWKYGHRPLBMGM-UHFFFAOYSA-N 0 0 284.384 3.629 10 0 CHAERN COC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128973401 260380417 /nfs/dbraw/zinc/38/04/17/260380417.db2.gz LUQPBNAIWDRGRK-GJZGRUSLSA-N 0 0 277.408 3.549 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C[C@H]2CCCCO2)o1 ZINC000153073065 261072978 /nfs/dbraw/zinc/07/29/78/261072978.db2.gz AMBMBPJLSBXAPC-HUUCEWRRSA-N 0 0 291.391 3.601 10 0 CHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000153918323 261084971 /nfs/dbraw/zinc/08/49/71/261084971.db2.gz YDWQQQSZTLBSIS-DGCLKSJQSA-N 0 0 279.380 3.551 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NCc2noc(C3CC3)n2)cc1 ZINC000154320043 261090211 /nfs/dbraw/zinc/09/02/11/261090211.db2.gz JZEIGZLSBFFGFH-ZDUSSCGKSA-N 0 0 299.418 3.996 10 0 CHAERN Cc1nnc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)o1 ZINC000154407929 261091230 /nfs/dbraw/zinc/09/12/30/261091230.db2.gz DLSGYMOFCSWUNQ-NSHDSACASA-N 0 0 273.380 3.526 10 0 CHAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000158338174 261163251 /nfs/dbraw/zinc/16/32/51/261163251.db2.gz VCXZMJOXUCJFJP-IKGGRYGDSA-N 0 0 286.419 3.865 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000174060802 261176456 /nfs/dbraw/zinc/17/64/56/261176456.db2.gz PTBIWEOQDDTOSG-MRVPVSSYSA-N 0 0 290.285 3.593 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2c(F)cc(F)cc2F)o1 ZINC000174278871 261183561 /nfs/dbraw/zinc/18/35/61/261183561.db2.gz WLDPIRYRPOVESN-QMMMGPOBSA-N 0 0 298.264 3.888 10 0 CHAERN CC(C)[C@@H](C)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000175297550 261216722 /nfs/dbraw/zinc/21/67/22/261216722.db2.gz GVILRJJXHIETFA-SNVBAGLBSA-N 0 0 284.350 3.544 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(O)c1 ZINC000175888995 261253285 /nfs/dbraw/zinc/25/32/85/261253285.db2.gz VTOFUDOLEGYMLQ-JCURWCKSSA-N 0 0 287.403 3.786 10 0 CHAERN CCc1onc(C)c1C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000161890351 261263241 /nfs/dbraw/zinc/26/32/41/261263241.db2.gz GBLIKLACFUGAJD-GTNSWQLSSA-N 0 0 298.386 3.517 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(C)n1 ZINC000176206791 261270530 /nfs/dbraw/zinc/27/05/30/261270530.db2.gz PZULMOOBEPPHJR-HUUCEWRRSA-N 0 0 272.392 3.853 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)c2ccoc2)c2ccccc21 ZINC000162776457 261293814 /nfs/dbraw/zinc/29/38/14/261293814.db2.gz TUOQENIMBDXKIF-XHDPSFHLSA-N 0 0 255.317 3.648 10 0 CHAERN Cc1nnc(CN[C@H](c2ccccc2)C2CCC2)n1C1CC1 ZINC000104702552 261298765 /nfs/dbraw/zinc/29/87/65/261298765.db2.gz CISPVTCABNDHPD-GOSISDBHSA-N 0 0 296.418 3.552 10 0 CHAERN C[C@@H]1CCc2ccccc2N1Cc1nc(-c2ccoc2)no1 ZINC000105607538 261311595 /nfs/dbraw/zinc/31/15/95/261311595.db2.gz ACCOVDIDXXURGG-GFCCVEGCSA-N 0 0 295.342 3.671 10 0 CHAERN Cc1cc(C)c(NCc2nc(-c3ccoc3)no2)c(C)c1 ZINC000105606420 261313286 /nfs/dbraw/zinc/31/32/86/261313286.db2.gz UUCKXMOJOONZCW-UHFFFAOYSA-N 0 0 283.331 3.867 10 0 CHAERN CCC[C@@H]1C[C@H]1Nc1nc(C(F)(F)F)cs1 ZINC000301755395 261341001 /nfs/dbraw/zinc/34/10/01/261341001.db2.gz KKMFTPNONHEYTL-RNFRBKRXSA-N 0 0 250.289 3.762 10 0 CHAERN CC(C)C1(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000177390704 261352920 /nfs/dbraw/zinc/35/29/20/261352920.db2.gz NQEQVKSFZXMPAH-STQMWFEESA-N 0 0 293.357 3.621 10 0 CHAERN CC[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791862 261358132 /nfs/dbraw/zinc/35/81/32/261358132.db2.gz FBUPHOPAZUKUES-ZJUUUORDSA-N 0 0 296.827 3.569 10 0 CHAERN CC[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791634 261358576 /nfs/dbraw/zinc/35/85/76/261358576.db2.gz FBUPHOPAZUKUES-NXEZZACHSA-N 0 0 296.827 3.569 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000179039998 261765226 /nfs/dbraw/zinc/76/52/26/261765226.db2.gz BJWZIKUBFJAESZ-BONVTDFDSA-N 0 0 286.762 3.540 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1Br ZINC000093197714 263228632 /nfs/dbraw/zinc/22/86/32/263228632.db2.gz IQSLGHLUGZMIFR-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN CCc1cc(C)c(C(=O)N[C@H]2CCCc3c(O)cccc32)o1 ZINC000190257776 264396377 /nfs/dbraw/zinc/39/63/77/264396377.db2.gz KIRZYXROTNIQCJ-HNNXBMFYSA-N 0 0 299.370 3.663 10 0 CHAERN CCC(CC)(CC)[S@@](=O)Cc1nccn1C(C)C ZINC000190559055 264397693 /nfs/dbraw/zinc/39/76/93/264397693.db2.gz ACVGIVQBBWNTSP-SFHVURJKSA-N 0 0 270.442 3.682 10 0 CHAERN Fc1ccc(CN2CCC[C@H]2c2ccco2)cc1F ZINC000116298916 267137127 /nfs/dbraw/zinc/13/71/27/267137127.db2.gz DRCOIUKRXKIAPC-AWEZNQCLSA-N 0 0 263.287 3.895 10 0 CHAERN Fc1cccc(CN2CCC[C@@H]2c2ccco2)c1F ZINC000116292664 267137965 /nfs/dbraw/zinc/13/79/65/267137965.db2.gz RWGJJLQNORXBOX-CYBMUJFWSA-N 0 0 263.287 3.895 10 0 CHAERN CCCCOC[C@H](O)CSc1ccc2ccccc2n1 ZINC000193359953 267262947 /nfs/dbraw/zinc/26/29/47/267262947.db2.gz ZYNOWHJHLYEPMO-AWEZNQCLSA-N 0 0 291.416 3.505 10 0 CHAERN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCCCC[C@H]32)c1 ZINC000371177711 267360832 /nfs/dbraw/zinc/36/08/32/267360832.db2.gz UKQQVKCGUOYLPE-SWLSCSKDSA-N 0 0 261.340 3.539 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1C[C@@H]2CCCCC[C@@H]21 ZINC000377240719 268059036 /nfs/dbraw/zinc/05/90/36/268059036.db2.gz PBSVWJQMPNTVOH-ONGXEEELSA-N 0 0 299.201 3.793 10 0 CHAERN C[C@H](NC(=O)N1CCS[C@H](C)C1)c1cccc(Cl)c1 ZINC000171727201 327675753 /nfs/dbraw/zinc/67/57/53/327675753.db2.gz BKXLCQIQWMMROL-MNOVXSKESA-N 0 0 298.839 3.548 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cccc(Cl)c2)C12CCOCC2 ZINC000186458262 327853510 /nfs/dbraw/zinc/85/35/10/327853510.db2.gz JVWVWGCCEJEXTI-GJZGRUSLSA-N 0 0 295.810 3.726 10 0 CHAERN COCCCCCSCc1nccn1C(C)C ZINC000175299013 329167486 /nfs/dbraw/zinc/16/74/86/329167486.db2.gz PSRPQYJGZQDWDP-UHFFFAOYSA-N 0 0 256.415 3.514 10 0 CHAERN CCCC(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000110513146 328305214 /nfs/dbraw/zinc/30/52/14/328305214.db2.gz STKKPNLZAOMACE-AWEZNQCLSA-N 0 0 295.810 3.819 10 0 CHAERN COCCCCNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000049361825 328355901 /nfs/dbraw/zinc/35/59/01/328355901.db2.gz YMVSZFWOZKFKQR-AWEZNQCLSA-N 0 0 292.423 3.597 10 0 CHAERN COc1ccc([C@@H](C)NC(=O)C2CCCCCC2)cc1F ZINC000101810046 328377116 /nfs/dbraw/zinc/37/71/16/328377116.db2.gz VWZVMDCLDYIILE-GFCCVEGCSA-N 0 0 293.382 3.982 10 0 CHAERN CCOC(=O)c1ccc(N[C@@H](CC)c2ccccc2)nc1 ZINC000050197606 328391318 /nfs/dbraw/zinc/39/13/18/328391318.db2.gz GRUGNTOMRMWLRT-HNNXBMFYSA-N 0 0 284.359 3.822 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000112214251 328391620 /nfs/dbraw/zinc/39/16/20/328391620.db2.gz KRZYKBANIMOSHU-SNVBAGLBSA-N 0 0 298.789 3.982 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000070124250 328395127 /nfs/dbraw/zinc/39/51/27/328395127.db2.gz KYQAZRADJWQPAX-WDEREUQCSA-N 0 0 298.224 3.918 10 0 CHAERN CCc1cnc([C@@H](C)Nc2nc(C3CC3)ns2)s1 ZINC000134925346 328517602 /nfs/dbraw/zinc/51/76/02/328517602.db2.gz DDKJWVFAEWMDTN-SSDOTTSWSA-N 0 0 280.422 3.608 10 0 CHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000109083713 326824130 /nfs/dbraw/zinc/82/41/30/326824130.db2.gz JMYUUQZIVOTURX-UONOGXRCSA-N 0 0 299.320 3.658 10 0 CHAERN CC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000109105462 326824507 /nfs/dbraw/zinc/82/45/07/326824507.db2.gz DVGNEQDBNUPSGJ-CHWSQXEVSA-N 0 0 293.357 3.765 10 0 CHAERN CCCc1nsc(N[C@H]2CCCc3ccccc32)n1 ZINC000087641648 326962723 /nfs/dbraw/zinc/96/27/23/326962723.db2.gz YZKWBHWIFNPPGN-ZDUSSCGKSA-N 0 0 273.405 3.980 10 0 CHAERN Nc1ccccc1NC(=O)c1cc2ccccc2s1 ZINC000048847536 327280365 /nfs/dbraw/zinc/28/03/65/327280365.db2.gz YYZMHBYDHLYQTH-UHFFFAOYSA-N 0 0 268.341 3.736 10 0 CHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000151582790 327480277 /nfs/dbraw/zinc/48/02/77/327480277.db2.gz SWOSEUJZLKWTPF-GUYCJALGSA-N 0 0 296.370 3.563 10 0 CHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)C1CC=CC1 ZINC000123532771 327599883 /nfs/dbraw/zinc/59/98/83/327599883.db2.gz PAAJDKLJMNDLMI-MRXNPFEDSA-N 0 0 269.388 3.783 10 0 CHAERN Fc1ccccc1-c1noc(-c2ccc3c(c2)CCN3)n1 ZINC000054444217 328692657 /nfs/dbraw/zinc/69/26/57/328692657.db2.gz WYXBXONZYBDZGL-UHFFFAOYSA-N 0 0 281.290 3.511 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCCCCC3)c21 ZINC000103317203 328767483 /nfs/dbraw/zinc/76/74/83/328767483.db2.gz NBAXVVCXTSGTOF-UHFFFAOYSA-N 0 0 299.418 3.604 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000103356949 328767812 /nfs/dbraw/zinc/76/78/12/328767812.db2.gz TVPJHAGTGWAKGU-CYBMUJFWSA-N 0 0 285.343 3.700 10 0 CHAERN COC[C@@H](C)C(=O)N(C)c1ccccc1Oc1ccccc1 ZINC000103388497 328769861 /nfs/dbraw/zinc/76/98/61/328769861.db2.gz AWSYIPMZZXHDOT-CQSZACIVSA-N 0 0 299.370 3.724 10 0 CHAERN O=C(Cc1ccsc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042850099 328772399 /nfs/dbraw/zinc/77/23/99/328772399.db2.gz MVGOETPDAFGKRY-GHMZBOCLSA-N 0 0 291.338 3.528 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)Nc2nncs2)cc1 ZINC000043128281 328775102 /nfs/dbraw/zinc/77/51/02/328775102.db2.gz ZDEUOKHVAQQORG-JTQLQIEISA-N 0 0 290.392 3.544 10 0 CHAERN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C1(C)CC1 ZINC000037468020 328782972 /nfs/dbraw/zinc/78/29/72/328782972.db2.gz RFYJACZHRVZDGN-NSHDSACASA-N 0 0 258.365 3.636 10 0 CHAERN CC1(C)C[C@@H](NC(=O)[C@@H]2CC=CCC2)c2ccccc2O1 ZINC000121862564 328991006 /nfs/dbraw/zinc/99/10/06/328991006.db2.gz WLXSKNQZYCJOMR-UKRRQHHQSA-N 0 0 285.387 3.761 10 0 CHAERN C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171808028 329080372 /nfs/dbraw/zinc/08/03/72/329080372.db2.gz GYKCKHUQEJNODA-YOEHRIQHSA-N 0 0 295.382 3.505 10 0 CHAERN COc1c(C)ccc(NC(=O)N[C@@H](C)CC2CC2)c1C ZINC000171862345 329080623 /nfs/dbraw/zinc/08/06/23/329080623.db2.gz GZSFJYCQMLDBAS-NSHDSACASA-N 0 0 276.380 3.622 10 0 CHAERN CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccs1 ZINC000172103352 329081096 /nfs/dbraw/zinc/08/10/96/329081096.db2.gz SXKUWWMQOCWHRQ-NRWUCQMLSA-N 0 0 293.432 3.519 10 0 CHAERN CCC1CCC(NC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC000172100583 329081220 /nfs/dbraw/zinc/08/12/20/329081220.db2.gz SLVOYLVCRYYITE-UHFFFAOYSA-N 0 0 289.423 3.607 10 0 CHAERN O=C(Nc1ccc2c(c1)CCO2)N1CCC[C@H]1c1ccco1 ZINC000172147156 329081831 /nfs/dbraw/zinc/08/18/31/329081831.db2.gz XCKWFDBIPPUQOL-AWEZNQCLSA-N 0 0 298.342 3.584 10 0 CHAERN CC(C)[C@@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000171909812 329081919 /nfs/dbraw/zinc/08/19/19/329081919.db2.gz XKIDXJCQDSMNIE-CQSZACIVSA-N 0 0 257.377 3.594 10 0 CHAERN Cc1cc(C)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)n1 ZINC000172044229 329083626 /nfs/dbraw/zinc/08/36/26/329083626.db2.gz WWENZHULWIWFQW-SJCJKPOMSA-N 0 0 296.370 3.510 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 ZINC000173413892 329146706 /nfs/dbraw/zinc/14/67/06/329146706.db2.gz FPVILQPHEUKGAR-UONOGXRCSA-N 0 0 290.432 3.514 10 0 CHAERN CCCCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173425498 329146953 /nfs/dbraw/zinc/14/69/53/329146953.db2.gz SPOWMSHCNYZDHV-ZDUSSCGKSA-N 0 0 280.437 3.738 10 0 CHAERN CCC(CC)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173590093 329149531 /nfs/dbraw/zinc/14/95/31/329149531.db2.gz YJEZZKHOUWQCTJ-CYBMUJFWSA-N 0 0 280.437 3.594 10 0 CHAERN CCC[C@H](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173914187 329151063 /nfs/dbraw/zinc/15/10/63/329151063.db2.gz DXPLNSKSYDPWDY-LSDHHAIUSA-N 0 0 299.418 3.876 10 0 CHAERN C[C@@H](Nc1nc2ccccc2cc1CO)c1cccc(O)c1 ZINC000174719209 329161024 /nfs/dbraw/zinc/16/10/24/329161024.db2.gz GNWQACLGFKENGA-GFCCVEGCSA-N 0 0 294.354 3.606 10 0 CHAERN C[C@@H](NC(=O)N1CCC2(C1)CCCCC2)c1nccs1 ZINC000176503331 329175998 /nfs/dbraw/zinc/17/59/98/329175998.db2.gz RKZISXYXJCWSPC-GFCCVEGCSA-N 0 0 293.436 3.570 10 0 CHAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685462 329178012 /nfs/dbraw/zinc/17/80/12/329178012.db2.gz FTRSWYDIGDQVOX-CZUORRHYSA-N 0 0 298.434 3.761 10 0 CHAERN CCC[C@@H]1CCc2ccccc2N1Cc1nnc(C)n1CC ZINC000177482656 329184723 /nfs/dbraw/zinc/18/47/23/329184723.db2.gz SAJOXBFPOPZBNT-MRXNPFEDSA-N 0 0 298.434 3.728 10 0 CHAERN C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177713876 329189641 /nfs/dbraw/zinc/18/96/41/329189641.db2.gz KPBDEKGYGRNDOS-VXGBXAGGSA-N 0 0 285.347 3.501 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000178017453 329191390 /nfs/dbraw/zinc/19/13/90/329191390.db2.gz JZMCIFLJQIBUOX-DFBGVHRSSA-N 0 0 293.794 3.571 10 0 CHAERN CCCn1ccc2cc(NC(=O)[C@@H]3CC[C@H](C)O3)ccc21 ZINC000178184406 329194234 /nfs/dbraw/zinc/19/42/34/329194234.db2.gz YAPAGICHSMRYJU-LRDDRELGSA-N 0 0 286.375 3.557 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c(C)c1O ZINC000178774262 329200663 /nfs/dbraw/zinc/20/06/63/329200663.db2.gz ODWDMNUQSJKVQQ-GTNSWQLSSA-N 0 0 297.354 3.512 10 0 CHAERN CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCCCCCO)c2C1 ZINC000179262327 329206929 /nfs/dbraw/zinc/20/69/29/329206929.db2.gz NNNJLCBPFWEPCL-OAHLLOKOSA-N 0 0 290.451 3.621 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCC3(CCC3)C2)CC(C)(C)C1 ZINC000180435278 329216922 /nfs/dbraw/zinc/21/69/22/329216922.db2.gz ROYBNUGWQRKDAV-ZIAGYGMSSA-N 0 0 263.425 3.851 10 0 CHAERN CSCCCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180219264 329218540 /nfs/dbraw/zinc/21/85/40/329218540.db2.gz JUNQIVMJABEKLC-QWHCGFSZSA-N 0 0 271.470 3.708 10 0 CHAERN C[C@H]1C[C@@H](C(=O)NC(C)(C)c2nccs2)CC(C)(C)C1 ZINC000180595814 329220981 /nfs/dbraw/zinc/22/09/81/329220981.db2.gz DYQDXXJURQYJRG-NWDGAFQWSA-N 0 0 294.464 3.957 10 0 CHAERN Cc1cccc(N(C)C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000180602470 329220997 /nfs/dbraw/zinc/22/09/97/329220997.db2.gz LPGJDPPJNBNPCP-JSGCOSHPSA-N 0 0 274.408 3.815 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180989035 329224673 /nfs/dbraw/zinc/22/46/73/329224673.db2.gz VSAGMGXGSCZCLT-GJZGRUSLSA-N 0 0 288.435 3.893 10 0 CHAERN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)nc1 ZINC000181272118 329228737 /nfs/dbraw/zinc/22/87/37/329228737.db2.gz BIGCBLQAITYLLA-BXUZGUMPSA-N 0 0 288.391 3.685 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000181188714 329233436 /nfs/dbraw/zinc/23/34/36/329233436.db2.gz NNSQXZIBWZTODM-JQWIXIFHSA-N 0 0 278.396 3.946 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2)c2ccccc21 ZINC000182894582 329245689 /nfs/dbraw/zinc/24/56/89/329245689.db2.gz HQYBULJQWDXNQP-YVEFUNNKSA-N 0 0 281.355 3.761 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000183713248 329249695 /nfs/dbraw/zinc/24/96/95/329249695.db2.gz LHXGBWNVVNUGPW-LSDHHAIUSA-N 0 0 288.435 3.545 10 0 CHAERN C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)C[C@H](C)C1 ZINC000184136618 329256526 /nfs/dbraw/zinc/25/65/26/329256526.db2.gz QHUVULJZDPZHIW-XJKCOSOUSA-N 0 0 289.423 3.536 10 0 CHAERN C[C@H](CCc1ccccc1)Nc1cccc2c1OCC[C@@H]2O ZINC000184568346 329260050 /nfs/dbraw/zinc/26/00/50/329260050.db2.gz WTEOGMZKLHGJCM-KDOFPFPSSA-N 0 0 297.398 3.936 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000184624341 329261325 /nfs/dbraw/zinc/26/13/25/329261325.db2.gz MTPBLWYTLDEKPU-AWEZNQCLSA-N 0 0 271.404 3.743 10 0 CHAERN Cn1cccc1[C@H]1CCCN1CCC(Cl)(Cl)Cl ZINC000184630292 329261485 /nfs/dbraw/zinc/26/14/85/329261485.db2.gz ITGDOZVFVOMIOA-LLVKDONJSA-N 0 0 295.641 3.922 10 0 CHAERN COC1(C(=O)N[C@H]2CCCc3ccccc32)CCCCC1 ZINC000184862163 329263470 /nfs/dbraw/zinc/26/34/70/329263470.db2.gz SNMOUNGJOYHIEQ-INIZCTEOSA-N 0 0 287.403 3.530 10 0 CHAERN COCCC(C)(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000185191329 329267391 /nfs/dbraw/zinc/26/73/91/329267391.db2.gz DINQRIYTNHIPHK-BBRMVZONSA-N 0 0 289.419 3.804 10 0 CHAERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185714700 329330543 /nfs/dbraw/zinc/33/05/43/329330543.db2.gz ZCNRGLGAIVONLT-RRFJBIMHSA-N 0 0 287.403 3.697 10 0 CHAERN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000186424578 329342062 /nfs/dbraw/zinc/34/20/62/329342062.db2.gz QHDOGROBQCMCGP-ZENOOKHLSA-N 0 0 261.365 3.625 10 0 CHAERN CCC[C@@H](C)CNc1ccc2c(c1)CN(C)C(=O)N2 ZINC000187478324 329358080 /nfs/dbraw/zinc/35/80/80/329358080.db2.gz IPURPCWWQZHOAQ-LLVKDONJSA-N 0 0 261.369 3.512 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000189060557 329375317 /nfs/dbraw/zinc/37/53/17/329375317.db2.gz RFXRROVYHUDEKT-QMMMGPOBSA-N 0 0 297.811 3.739 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)c2c[nH]nc2C2CC2)cc1 ZINC000190013444 329391775 /nfs/dbraw/zinc/39/17/75/329391775.db2.gz CLZPOXDHQPNAME-GFCCVEGCSA-N 0 0 297.402 3.902 10 0 CHAERN Cc1occc1-c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190382000 329395621 /nfs/dbraw/zinc/39/56/21/329395621.db2.gz WMUBCSSFIONTDA-RYUDHWBXSA-N 0 0 276.336 3.557 10 0 CHAERN CC[C@@]1(C)C[C@@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389811 329395909 /nfs/dbraw/zinc/39/59/09/329395909.db2.gz CTXXODCXISRKDT-BUWBCJGYSA-N 0 0 278.396 3.892 10 0 CHAERN CC(C)[C@H]1C[C@@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389125 329395947 /nfs/dbraw/zinc/39/59/47/329395947.db2.gz QWLLQOPBJAXVCL-RNJOBUHISA-N 0 0 278.396 3.748 10 0 CHAERN CCCCO[C@@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190392866 329396227 /nfs/dbraw/zinc/39/62/27/329396227.db2.gz UUKAWYZPSRSTJX-AVGNSLFASA-N 0 0 296.411 3.866 10 0 CHAERN CCCCCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190400362 329398069 /nfs/dbraw/zinc/39/80/69/329398069.db2.gz KJNCAOOWBISXAU-AAEUAGOBSA-N 0 0 266.385 3.721 10 0 CHAERN O=C(c1cc2sccc2[nH]1)N1CCC2(CCCC2)C1 ZINC000192139429 329429439 /nfs/dbraw/zinc/42/94/39/329429439.db2.gz PKSUPDVPCUCRLI-UHFFFAOYSA-N 0 0 274.389 3.636 10 0 CHAERN CCCCCCC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105848760 329535445 /nfs/dbraw/zinc/53/54/45/329535445.db2.gz XQCJAVBPXYFXAE-HNNXBMFYSA-N 0 0 291.439 3.671 10 0 CHAERN CCOC(=O)[C@H](C)c1nc(-c2ccccc2)c(C)s1 ZINC000311924812 329540578 /nfs/dbraw/zinc/54/05/78/329540578.db2.gz CIGBYDQJWJRIHQ-SNVBAGLBSA-N 0 0 275.373 3.785 10 0 CHAERN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116045497 329544318 /nfs/dbraw/zinc/54/43/18/329544318.db2.gz XGSNBDAYLNVCBN-CYBMUJFWSA-N 0 0 275.735 3.910 10 0 CHAERN O=C(CSc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116045261 329544482 /nfs/dbraw/zinc/54/44/82/329544482.db2.gz IMVYXLGRDDQKRN-CQSZACIVSA-N 0 0 287.384 3.735 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)O1 ZINC000124888592 329574937 /nfs/dbraw/zinc/57/49/37/329574937.db2.gz XXBIVLUDWVGFGH-CXAGYDPISA-N 0 0 281.355 3.860 10 0 CHAERN Cc1c(NC(=O)[C@H]2CC[C@H](C)O2)cccc1C(F)(F)F ZINC000128755070 329611704 /nfs/dbraw/zinc/61/17/04/329611704.db2.gz VDLVIPKDHDRGHR-QPUJVOFHSA-N 0 0 287.281 3.520 10 0 CHAERN CC[C@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129937583 329621214 /nfs/dbraw/zinc/62/12/14/329621214.db2.gz KEQITGZIDMIMOP-ZFWWWQNUSA-N 0 0 287.403 3.985 10 0 CHAERN CCC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760277 329627676 /nfs/dbraw/zinc/62/76/76/329627676.db2.gz KLJHZIUYUCDSRY-ZBFHGGJFSA-N 0 0 298.434 3.806 10 0 CHAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1cccc(Br)c1 ZINC000139000482 329678711 /nfs/dbraw/zinc/67/87/11/329678711.db2.gz XSXFNUXZTLEIRJ-ZJUUUORDSA-N 0 0 294.196 3.584 10 0 CHAERN CCc1nnc(CSc2cc(C)c3ccccc3n2)n1C ZINC000194662957 329687839 /nfs/dbraw/zinc/68/78/39/329687839.db2.gz BNNNQPPPACHLAF-UHFFFAOYSA-N 0 0 298.415 3.526 10 0 CHAERN Cn1c(CN[C@@H](c2ccccc2)C(C)(C)C)nnc1C1CC1 ZINC000195099912 329690394 /nfs/dbraw/zinc/69/03/94/329690394.db2.gz KEPGTQATFUUQGE-INIZCTEOSA-N 0 0 298.434 3.570 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000246068357 329779779 /nfs/dbraw/zinc/77/97/79/329779779.db2.gz RVIUUVUMGYZPEY-HYVNUMGLSA-N 0 0 287.403 3.616 10 0 CHAERN C[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000248592316 329895319 /nfs/dbraw/zinc/89/53/19/329895319.db2.gz LHDFXEMTIISUFR-AGIUHOORSA-N 0 0 294.464 3.825 10 0 CHAERN c1nc2cc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)ccc2s1 ZINC000249066558 329904271 /nfs/dbraw/zinc/90/42/71/329904271.db2.gz PWMNDZCMXCHILZ-NILFDRSVSA-N 0 0 286.400 3.666 10 0 CHAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)C(C)C ZINC000162352169 330002916 /nfs/dbraw/zinc/00/29/16/330002916.db2.gz YIHIGXNXMHOLHB-LBPRGKRZSA-N 0 0 258.365 3.559 10 0 CHAERN CCCn1nc(C)c(C(=O)NC2CCC(CC)CC2)c1C ZINC000162385831 330008015 /nfs/dbraw/zinc/00/80/15/330008015.db2.gz QSFGLLXIXZWTER-UHFFFAOYSA-N 0 0 291.439 3.609 10 0 CHAERN CCCC[C@@H]([NH2+][C@@H](C)c1ccc(SC)c(F)c1)C(=O)[O-] ZINC000263451558 330056497 /nfs/dbraw/zinc/05/64/97/330056497.db2.gz ZUPQNTQCGJIHQI-GXFFZTMASA-N 0 0 299.411 3.842 10 0 CHAERN C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nccs1 ZINC000080266073 330116019 /nfs/dbraw/zinc/11/60/19/330116019.db2.gz AMGYXXRRWGTLTM-UIBFTYAWSA-N 0 0 262.422 3.618 10 0 CHAERN Cc1cc(C)cc(CN2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106370928 330337287 /nfs/dbraw/zinc/33/72/87/330337287.db2.gz CAUCIVIFZORPTE-UHFFFAOYSA-N 0 0 297.446 3.719 10 0 CHAERN Fc1cccc(Oc2c(F)c(F)nc(F)c2F)c1F ZINC000084693420 330362615 /nfs/dbraw/zinc/36/26/15/330362615.db2.gz QEJBPFYDBXAKKF-UHFFFAOYSA-N 0 0 279.139 3.709 10 0 CHAERN CCCCOCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000118193282 330366700 /nfs/dbraw/zinc/36/67/00/330366700.db2.gz VUXFZLJFXGYWSE-AWEZNQCLSA-N 0 0 285.387 3.834 10 0 CHAERN Cc1occc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119488567 330375864 /nfs/dbraw/zinc/37/58/64/330375864.db2.gz HXUAGJBRTWWHEH-JTQLQIEISA-N 0 0 261.296 3.527 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1F ZINC000119561889 330376132 /nfs/dbraw/zinc/37/61/32/330376132.db2.gz AQGPCOPKVZZRJP-STQMWFEESA-N 0 0 286.350 3.510 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119863831 330381052 /nfs/dbraw/zinc/38/10/52/330381052.db2.gz BWCBHAHOIWZJQG-NEPJUHHUSA-N 0 0 292.345 3.549 10 0 CHAERN CCC1CCC(NC(=O)c2c(F)ccc(F)c2F)CC1 ZINC000120226832 330386426 /nfs/dbraw/zinc/38/64/26/330386426.db2.gz GANMBYIKIKQXRX-UHFFFAOYSA-N 0 0 285.309 3.803 10 0 CHAERN CCCn1ccc(CNc2ccc(F)c(F)c2)c1 ZINC000091009244 330397752 /nfs/dbraw/zinc/39/77/52/330397752.db2.gz KIZSVSXWENZHCL-UHFFFAOYSA-N 0 0 250.292 3.788 10 0 CHAERN CCCn1ccc(CN[C@H](C)c2nc(C)cs2)c1 ZINC000091015886 330397926 /nfs/dbraw/zinc/39/79/26/330397926.db2.gz NHFRLVAWGKKNIU-GFCCVEGCSA-N 0 0 263.410 3.514 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)COC(C)(C)C)cc1 ZINC000164748382 331303406 /nfs/dbraw/zinc/30/34/06/331303406.db2.gz BSCLEKCQDWEAOE-ZDUSSCGKSA-N 0 0 277.408 3.802 10 0 CHAERN CC[C@H](Nc1ccncc1Br)C(C)C ZINC000165048265 331305810 /nfs/dbraw/zinc/30/58/10/331305810.db2.gz WYNDLJZPVYFZTC-JTQLQIEISA-N 0 0 257.175 3.691 10 0 CHAERN Cc1ccc2nc(NCc3cncs3)sc2c1 ZINC000165407985 331306100 /nfs/dbraw/zinc/30/61/00/331306100.db2.gz ULYOLWLVTDUFBP-UHFFFAOYSA-N 0 0 261.375 3.673 10 0 CHAERN CCc1ccsc1CNc1ccc(C(F)(F)F)nn1 ZINC000167101107 331307956 /nfs/dbraw/zinc/30/79/56/331307956.db2.gz FJAPVOJKTNMUFG-UHFFFAOYSA-N 0 0 287.310 3.731 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccoc2)cc1 ZINC000172582311 335109636 /nfs/dbraw/zinc/10/96/36/335109636.db2.gz ZQSZOPNOLDTQIG-IRXDYDNUSA-N 0 0 283.371 3.823 10 0 CHAERN CC(C)[C@@H](O)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000153818863 334680251 /nfs/dbraw/zinc/68/02/51/334680251.db2.gz YDAKGCWDHFYVDY-KRWDZBQOSA-N 0 0 299.370 3.824 10 0 CHAERN C[C@@H](COCc1ccccc1)NC(=O)CC1=CCCCC1 ZINC000172958315 332955449 /nfs/dbraw/zinc/95/54/49/332955449.db2.gz KFQKRKJJPLMFCK-HNNXBMFYSA-N 0 0 287.403 3.598 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000174304306 332995603 /nfs/dbraw/zinc/99/56/03/332995603.db2.gz JNDUVVIXJVQNMF-QRTARXTBSA-N 0 0 287.403 3.590 10 0 CHAERN CC(C)N(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000175686104 333029131 /nfs/dbraw/zinc/02/91/31/333029131.db2.gz WYTSTDPPWFTMMI-GHMZBOCLSA-N 0 0 292.345 3.690 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000178048469 333067104 /nfs/dbraw/zinc/06/71/04/333067104.db2.gz OBQZVJMOKAKIJH-JSGCOSHPSA-N 0 0 275.392 3.697 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cc2ccccc2s1 ZINC000178239270 333069931 /nfs/dbraw/zinc/06/99/31/333069931.db2.gz FGUAEHSISBPVGJ-MDZLAQPJSA-N 0 0 289.400 3.646 10 0 CHAERN C[C@H](CCC[C@H](C)[NH2+]CC1CCC(C)CC1)C(=O)[O-] ZINC000311734534 333071837 /nfs/dbraw/zinc/07/18/37/333071837.db2.gz RQFYAFWHRPTXDK-FUUBYGMNSA-N 0 0 269.429 3.682 10 0 CHAERN C[C@H](NC(=O)[C@@H](C)C1CC1)c1cccc(Cl)c1 ZINC000178386290 333072028 /nfs/dbraw/zinc/07/20/28/333072028.db2.gz BTPNWRBWMYKRRP-UWVGGRQHSA-N 0 0 251.757 3.563 10 0 CHAERN CC1(CC(=O)N[C@H]2CCOc3ccccc32)CCCCC1 ZINC000178703231 333077054 /nfs/dbraw/zinc/07/70/54/333077054.db2.gz LUEBNRATHHYNBX-HNNXBMFYSA-N 0 0 287.403 3.987 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccsc2)cc1F ZINC000088234868 333087265 /nfs/dbraw/zinc/08/72/65/333087265.db2.gz GLGVXRIFHUNNCX-SNVBAGLBSA-N 0 0 263.337 3.687 10 0 CHAERN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000088233364 333087361 /nfs/dbraw/zinc/08/73/61/333087361.db2.gz CAANINJBVCXKDG-LBPRGKRZSA-N 0 0 275.323 3.835 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(C)CC2)cc1F ZINC000088784951 333091984 /nfs/dbraw/zinc/09/19/84/333091984.db2.gz HXLRZPXCCNYFPM-ZDUSSCGKSA-N 0 0 278.371 3.637 10 0 CHAERN C(=C\c1ccccc1)\C[NH2+][C@H]1CCOc2ccccc21 ZINC000220692075 333168379 /nfs/dbraw/zinc/16/83/79/333168379.db2.gz LBXYAVKWNXXNPN-SKHCZCESSA-N 0 0 265.356 3.813 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(C(F)(F)F)c2)o1 ZINC000220884655 333170071 /nfs/dbraw/zinc/17/00/71/333170071.db2.gz MFIIYDPYCVWUFB-SNVBAGLBSA-N 0 0 284.281 3.853 10 0 CHAERN Cc1cnc([C@@H](C)NCc2coc3ccccc23)o1 ZINC000220942053 333171153 /nfs/dbraw/zinc/17/11/53/333171153.db2.gz KSYQNYGAPVMMTF-LLVKDONJSA-N 0 0 256.305 3.580 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000191579134 333221893 /nfs/dbraw/zinc/22/18/93/333221893.db2.gz CNJBSZFLDYKYLY-WFASDCNBSA-N 0 0 295.382 3.692 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000192336004 333234603 /nfs/dbraw/zinc/23/46/03/333234603.db2.gz QGPQHRALAIAYEQ-AWEZNQCLSA-N 0 0 287.746 3.512 10 0 CHAERN COc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1O ZINC000195222205 333248233 /nfs/dbraw/zinc/24/82/33/333248233.db2.gz HAAPMOUECLRDNP-KBPBESRZSA-N 0 0 289.375 3.556 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1O ZINC000195222174 333248377 /nfs/dbraw/zinc/24/83/77/333248377.db2.gz HAAPMOUECLRDNP-ZIAGYGMSSA-N 0 0 289.375 3.556 10 0 CHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644714 333254438 /nfs/dbraw/zinc/25/44/38/333254438.db2.gz UWJNDUIGBDFVGQ-ZIAGYGMSSA-N 0 0 286.375 3.574 10 0 CHAERN Clc1csc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000194345826 333269667 /nfs/dbraw/zinc/26/96/67/333269667.db2.gz PNYPGUCGXIAZKD-STQMWFEESA-N 0 0 271.813 3.545 10 0 CHAERN COC1(c2noc(-c3ccc(C)cc3O)n2)CCCCC1 ZINC000227834437 333289034 /nfs/dbraw/zinc/28/90/34/333289034.db2.gz CDDBGWGIYINUBO-UHFFFAOYSA-N 0 0 288.347 3.556 10 0 CHAERN CCOC(=O)c1sc(NC(=O)[C@H]2CCC[C@H]2C)cc1C ZINC000230042503 333312561 /nfs/dbraw/zinc/31/25/61/333312561.db2.gz GSSDKTLANYMZLM-KOLCDFICSA-N 0 0 295.404 3.608 10 0 CHAERN c1cc2c(ccnc2N[C@@H]2CCOc3ccccc32)o1 ZINC000230890091 333322281 /nfs/dbraw/zinc/32/22/81/333322281.db2.gz RSEQUTYTVODYKE-CYBMUJFWSA-N 0 0 266.300 3.764 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000230923305 333322716 /nfs/dbraw/zinc/32/27/16/333322716.db2.gz KEIRVMAJPUDCBE-QWHCGFSZSA-N 0 0 279.453 3.995 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000231691157 333328138 /nfs/dbraw/zinc/32/81/38/333328138.db2.gz IAQNMPVLMMJGPQ-BLLLJJGKSA-N 0 0 270.376 3.703 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(C3CC3)c2)o1 ZINC000231738622 333328867 /nfs/dbraw/zinc/32/88/67/333328867.db2.gz OCUFXRPCNRXVBI-GFCCVEGCSA-N 0 0 256.349 3.711 10 0 CHAERN Cc1ccccc1[C@H](C)NCc1ncccc1Cl ZINC000528434138 333437100 /nfs/dbraw/zinc/43/71/00/333437100.db2.gz TUPUXKXEGOVOKQ-LBPRGKRZSA-N 0 0 260.768 3.894 10 0 CHAERN CC[C@H](Nc1cc(C(=O)NC)ccc1C)c1cccs1 ZINC000037086496 333477127 /nfs/dbraw/zinc/47/71/27/333477127.db2.gz CVSYGCGISGEZFL-ZDUSSCGKSA-N 0 0 288.416 3.979 10 0 CHAERN CCCCOc1cccc(NC(=O)CNc2ccccc2)c1 ZINC000066192997 333616336 /nfs/dbraw/zinc/61/63/36/333616336.db2.gz PYKHSZJIVUETTG-UHFFFAOYSA-N 0 0 298.386 3.916 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C(C2CC2)C2CC2)cc1F ZINC000127282834 333625460 /nfs/dbraw/zinc/62/54/60/333625460.db2.gz IJMIIPKTFCKBBA-NSHDSACASA-N 0 0 275.367 3.748 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000068622017 333714321 /nfs/dbraw/zinc/71/43/21/333714321.db2.gz ZGYQUTXQSWZAFP-OSAQELSMSA-N 0 0 274.408 3.591 10 0 CHAERN CCCC[C@H](CC)Nc1cccc(Cn2cncn2)c1 ZINC000069377857 333759994 /nfs/dbraw/zinc/75/99/94/333759994.db2.gz SLLAQTVFGCOCRX-HNNXBMFYSA-N 0 0 272.396 3.707 10 0 CHAERN O=C(NCc1cccs1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000129889349 333797698 /nfs/dbraw/zinc/79/76/98/333797698.db2.gz KEVZGKWSQIXIFD-KGLIPLIRSA-N 0 0 263.406 3.581 10 0 CHAERN CCC1CCC(NC(=O)c2sccc2C)CC1 ZINC000074385693 334005228 /nfs/dbraw/zinc/00/52/28/334005228.db2.gz UTVGMKAKRQRKGK-UHFFFAOYSA-N 0 0 251.395 3.755 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ncnc3ccccc32)s1 ZINC000134928210 334108637 /nfs/dbraw/zinc/10/86/37/334108637.db2.gz XKVSMGISNCJRDG-SNVBAGLBSA-N 0 0 284.388 3.822 10 0 CHAERN Cc1nc(C(C)(C)NC(=O)N[C@H](C)C(C)(C)C)sc1C ZINC000077596836 334109311 /nfs/dbraw/zinc/10/93/11/334109311.db2.gz IJXPBNURIUYHMD-LLVKDONJSA-N 0 0 297.468 3.729 10 0 CHAERN CCOc1c(F)cccc1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000079547697 334156896 /nfs/dbraw/zinc/15/68/96/334156896.db2.gz WULFIGWNZYEQLS-LLVKDONJSA-N 0 0 291.322 3.617 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000080427828 334171228 /nfs/dbraw/zinc/17/12/28/334171228.db2.gz RJWSTCFXOYTILH-BLLLJJGKSA-N 0 0 272.392 3.569 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(N3CCCC3)nc2)C1 ZINC000080433301 334171382 /nfs/dbraw/zinc/17/13/82/334171382.db2.gz XJMQNOHGKDIMTN-KBPBESRZSA-N 0 0 259.397 3.672 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2cccc(-c3n[nH]c(C)n3)c2)C1 ZINC000080458634 334171891 /nfs/dbraw/zinc/17/18/91/334171891.db2.gz IHFJWXIZKKSLMQ-DOMZBBRYSA-N 0 0 270.380 3.771 10 0 CHAERN CC[C@H](C)[C@H](C)N(C(=O)N[C@H](C)C(C)C)C1CC1 ZINC000245435099 334193025 /nfs/dbraw/zinc/19/30/25/334193025.db2.gz SGNZCHCMLXSESU-XQQFMLRXSA-N 0 0 254.418 3.640 10 0 CHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cc2ccccc2s1 ZINC000245969588 334226198 /nfs/dbraw/zinc/22/61/98/334226198.db2.gz FGUAEHSISBPVGJ-NQBHXWOUSA-N 0 0 289.400 3.646 10 0 CHAERN CC1(C)C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c2ccccc2O1 ZINC000245977830 334226408 /nfs/dbraw/zinc/22/64/08/334226408.db2.gz CICHPGPRJCBCTR-CXUGXGMPSA-N 0 0 299.414 3.841 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H]2CCC[C@H]21 ZINC000246692497 334267425 /nfs/dbraw/zinc/26/74/25/334267425.db2.gz BWLQGLIZCCYKSK-YLFCFFPRSA-N 0 0 275.436 3.994 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246702321 334267577 /nfs/dbraw/zinc/26/75/77/334267577.db2.gz ITHDYAVSIMAIBG-AXFHLTTASA-N 0 0 265.319 3.516 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 ZINC000246788672 334269456 /nfs/dbraw/zinc/26/94/56/334269456.db2.gz ZZGXZQAAXZASMF-FOUMNBMASA-N 0 0 295.452 3.636 10 0 CHAERN C[C@@H](c1cc(F)ccc1F)N1CCC[C@H]1c1cnn(C)c1 ZINC000247248696 334278196 /nfs/dbraw/zinc/27/81/96/334278196.db2.gz DTTXEXWXOWXFFX-ZBEGNZNMSA-N 0 0 291.345 3.596 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCOC(C)(C)C2)CC(C)(C)C1 ZINC000248536639 334305274 /nfs/dbraw/zinc/30/52/74/334305274.db2.gz GYPWJMRAYXZZPT-RDBSUJKOSA-N 0 0 281.440 3.523 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248829131 334319069 /nfs/dbraw/zinc/31/90/69/334319069.db2.gz HSYOXCSXIOVJDF-HBNTYKKESA-N 0 0 265.319 3.660 10 0 CHAERN CC(C)C[C@@H]1CCCCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000249391023 334333063 /nfs/dbraw/zinc/33/30/63/334333063.db2.gz FZHIVXDDTBCDHR-JYJNAYRXSA-N 0 0 281.440 3.619 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250885361 334352679 /nfs/dbraw/zinc/35/26/79/334352679.db2.gz ABEBFJONKOQARV-ZLKJLUDKSA-N 0 0 265.784 3.874 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000250928514 334353463 /nfs/dbraw/zinc/35/34/63/334353463.db2.gz ZGYQUTXQSWZAFP-NJZAAPMLSA-N 0 0 274.408 3.591 10 0 CHAERN C[C@@H]1CCC[C@@H](NC(=O)c2cccc3c2CCCN3)[C@H]1C ZINC000251889280 334371566 /nfs/dbraw/zinc/37/15/66/334371566.db2.gz RSEMZDDTDFGXBM-DVOMOZLQSA-N 0 0 286.419 3.599 10 0 CHAERN C[C@H]1C[C@H](NC(=O)c2cccc3c2CCCN3)C[C@@H](C)C1 ZINC000252148921 334374861 /nfs/dbraw/zinc/37/48/61/334374861.db2.gz OIEGHCFITGWQBM-WDNDVIMCSA-N 0 0 286.419 3.599 10 0 CHAERN CCC[C@H](C)C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000252733970 334388041 /nfs/dbraw/zinc/38/80/41/334388041.db2.gz XQLCAMGLBHVFHJ-GHJWDPDVSA-N 0 0 283.362 3.509 10 0 CHAERN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157646281 334779045 /nfs/dbraw/zinc/77/90/45/334779045.db2.gz GRPARVAKWHNSRD-WBMJQRKESA-N 0 0 273.351 3.676 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)C(C1CC1)C1CC1 ZINC000157751102 334783066 /nfs/dbraw/zinc/78/30/66/334783066.db2.gz MVDKAXWXERQDGX-INIZCTEOSA-N 0 0 287.378 3.756 10 0 CHAERN CC(=O)c1c(C)cccc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000157827008 334785499 /nfs/dbraw/zinc/78/54/99/334785499.db2.gz AOYCUJGDOGMUHM-UHFFFAOYSA-N 0 0 292.338 3.931 10 0 CHAERN CCCCN(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000166442116 334913836 /nfs/dbraw/zinc/91/38/36/334913836.db2.gz GQUZJKKIIAMIHH-HNNXBMFYSA-N 0 0 278.371 3.645 10 0 CHAERN Cn1cc(CNc2nc3c(ccc4c3CCCC4)s2)cn1 ZINC000181852220 335788302 /nfs/dbraw/zinc/78/83/02/335788302.db2.gz YHXOMXYWKBSSAI-UHFFFAOYSA-N 0 0 298.415 3.521 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2cccc(O)c2F)CC(C)(C)C1 ZINC000182950090 335852563 /nfs/dbraw/zinc/85/25/63/335852563.db2.gz MCLAVJFXFNDSFF-GHMZBOCLSA-N 0 0 279.355 3.932 10 0 CHAERN Cc1ccccc1SCc1nnc(C(C)C)n1C ZINC000194696171 336037690 /nfs/dbraw/zinc/03/76/90/336037690.db2.gz NFMXGHPCSDHKMR-UHFFFAOYSA-N 0 0 261.394 3.539 10 0 CHAERN CC(C)c1nnc(CN(C)c2cccc(C(C)C)c2)n1C ZINC000195111451 336046025 /nfs/dbraw/zinc/04/60/25/336046025.db2.gz PXEZBHDEUKCISD-UHFFFAOYSA-N 0 0 286.423 3.698 10 0 CHAERN Brc1cccc2c1O[C@H](c1ccccc1)CN2 ZINC000062560449 518224232 /nfs/dbraw/zinc/22/42/32/518224232.db2.gz SJBLBBCXUJQYGQ-ZDUSSCGKSA-N 0 0 290.160 3.995 10 0 CHAERN CCCNc1cc(CC)nc2c(F)c(F)ccc12 ZINC000050870956 520136634 /nfs/dbraw/zinc/13/66/34/520136634.db2.gz BENMUHLOOBSRPO-UHFFFAOYSA-N 0 0 250.292 3.897 10 0 CHAERN CCCNc1snnc1COc1cccc(CC)c1 ZINC000050832164 520204622 /nfs/dbraw/zinc/20/46/22/520204622.db2.gz OCRQYFVXFSEWEC-UHFFFAOYSA-N 0 0 277.393 3.501 10 0 CHAERN CCNc1ccc(COc2cccc(C)c2C)cn1 ZINC000050830760 520303360 /nfs/dbraw/zinc/30/33/60/520303360.db2.gz RRQZLMJCZHAWJY-UHFFFAOYSA-N 0 0 256.349 3.709 10 0 CHAERN CSc1ccc(CN(C)c2ncc(C)s2)cc1 ZINC000302844548 534204830 /nfs/dbraw/zinc/20/48/30/534204830.db2.gz NLYSOZLICCSBDB-UHFFFAOYSA-N 0 0 264.419 3.810 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2ccco2)c(Cl)c1 ZINC000061693685 518342946 /nfs/dbraw/zinc/34/29/46/518342946.db2.gz BMZVASSGOJSQDQ-UHFFFAOYSA-N 0 0 263.724 3.772 10 0 CHAERN CC(C)(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129903010 518588688 /nfs/dbraw/zinc/58/86/88/518588688.db2.gz DPXZUSGZHWEUED-AWEZNQCLSA-N 0 0 287.403 3.985 10 0 CHAERN CC(C)(C)c1ccc(OCCCCC(N)=S)cc1 ZINC000049583093 519039994 /nfs/dbraw/zinc/03/99/94/519039994.db2.gz MOHBJGBVRWKLRH-UHFFFAOYSA-N 0 0 265.422 3.819 10 0 CHAERN CC(C)C1=N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc21 ZINC000066074367 519559015 /nfs/dbraw/zinc/55/90/15/519559015.db2.gz LTQGBCNWEKABKI-KRWDZBQOSA-N 0 0 292.382 3.695 10 0 CHAERN CC(C)C1CCC(O)(c2cc(F)ccc2F)CC1 ZINC000055242618 519567395 /nfs/dbraw/zinc/56/73/95/519567395.db2.gz VIEROUOOEIHKFV-UHFFFAOYSA-N 0 0 254.320 3.999 10 0 CHAERN CC(C)N(CC1CC1)c1cccc(Cl)c1C(N)=S ZINC000052907103 519640957 /nfs/dbraw/zinc/64/09/57/519640957.db2.gz DZFSLGJGNIIMMZ-UHFFFAOYSA-N 0 0 282.840 3.599 10 0 CHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H](C)O1 ZINC000154645847 519655712 /nfs/dbraw/zinc/65/57/12/519655712.db2.gz AYIZTIAZXZZUJK-SWLSCSKDSA-N 0 0 295.810 3.645 10 0 CHAERN Fc1cc(F)c2nccc(N[C@@H]3CCCSC3)c2c1 ZINC000302501363 534447091 /nfs/dbraw/zinc/44/70/91/534447091.db2.gz LQNJWAIERGSCPK-SNVBAGLBSA-N 0 0 280.343 3.821 10 0 CHAERN CC(C)CNc1nc2c(s1)COc1ccccc1-2 ZINC000061714689 519749607 /nfs/dbraw/zinc/74/96/07/519749607.db2.gz KCPGKGVQGCLDLH-UHFFFAOYSA-N 0 0 260.362 3.770 10 0 CHAERN CC(C)[C@@H](NC(=O)c1sccc1N)c1cccs1 ZINC000049551191 519798818 /nfs/dbraw/zinc/79/88/18/519798818.db2.gz NHKNSDVCHYWXOW-LLVKDONJSA-N 0 0 280.418 3.519 10 0 CHAERN CC(C)[C@H](C)CC(=O)NC1CCN(c2cccs2)CC1 ZINC000156173622 519810795 /nfs/dbraw/zinc/81/07/95/519810795.db2.gz GZBOWLXRESOCQD-CYBMUJFWSA-N 0 0 294.464 3.515 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(C)Cc1ccccc1Cl ZINC000298709547 519812621 /nfs/dbraw/zinc/81/26/21/519812621.db2.gz WADROFCDEQXSRA-NSHDSACASA-N 0 0 268.788 3.526 10 0 CHAERN CC(C)c1ccc(OCCCCC(N)=S)cc1 ZINC000049583077 519838132 /nfs/dbraw/zinc/83/81/32/519838132.db2.gz YWBXIUIETPBZGM-UHFFFAOYSA-N 0 0 251.395 3.645 10 0 CHAERN CC(C)c1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139043213 519839399 /nfs/dbraw/zinc/83/93/99/519839399.db2.gz UKWSKWZCENOIKS-OLZOCXBDSA-N 0 0 257.381 3.945 10 0 CHAERN CCC1CCC(NC(=O)c2ccccc2COC)CC1 ZINC000076009420 519856223 /nfs/dbraw/zinc/85/62/23/519856223.db2.gz HFFMPYPGUIJPIY-UHFFFAOYSA-N 0 0 275.392 3.532 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)Cc1ccsc1 ZINC000049184550 519857922 /nfs/dbraw/zinc/85/79/22/519857922.db2.gz JDLOMZSRSXOPLI-VIFPVBQESA-N 0 0 267.423 3.929 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1-c1ccccc1 ZINC000052842402 519869442 /nfs/dbraw/zinc/86/94/42/519869442.db2.gz QTSMPZKPHDMLHJ-UHFFFAOYSA-N 0 0 251.333 3.731 10 0 CHAERN CCCC1CCC(Nc2cc(Cl)ncn2)CC1 ZINC000049549100 519899260 /nfs/dbraw/zinc/89/92/60/519899260.db2.gz PHASMHQAFQMRLP-UHFFFAOYSA-N 0 0 253.777 3.901 10 0 CHAERN CCCC1CCN(c2ccc(F)cc2[C@@H](C)O)CC1 ZINC000050894075 519904004 /nfs/dbraw/zinc/90/40/04/519904004.db2.gz NHPXIISGVFWQHU-GFCCVEGCSA-N 0 0 265.372 3.896 10 0 CHAERN CCCOC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000058787960 520206045 /nfs/dbraw/zinc/20/60/45/520206045.db2.gz RSERJBPIFHFLKS-GQCTYLIASA-N 0 0 259.132 3.960 10 0 CHAERN CCNc1ccc(-c2ccc(Cl)cc2Cl)nn1 ZINC000050868114 520278616 /nfs/dbraw/zinc/27/86/16/520278616.db2.gz FAVJXQJURVRJHO-UHFFFAOYSA-N 0 0 268.147 3.882 10 0 CHAERN CC1(C)CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000102919224 520333788 /nfs/dbraw/zinc/33/37/88/520333788.db2.gz DQNBOWOFCXAIMW-UHFFFAOYSA-N 0 0 286.400 3.825 10 0 CHAERN CCCOc1ccc(CC[C@H](O)C(C)(C)C)cc1 ZINC000062164865 520345328 /nfs/dbraw/zinc/34/53/28/520345328.db2.gz AHTKAENYKZITMI-HNNXBMFYSA-N 0 0 250.382 3.815 10 0 CHAERN CCNc1ncccc1COc1c(C)cccc1C ZINC000052734341 520377728 /nfs/dbraw/zinc/37/77/28/520377728.db2.gz NHLOARJPSQQUQH-UHFFFAOYSA-N 0 0 256.349 3.709 10 0 CHAERN CCN(CC(C)C)c1ccc([C@@H](C)O)cc1Cl ZINC000061695264 520415576 /nfs/dbraw/zinc/41/55/76/520415576.db2.gz WOZQOIHNQAQDPH-LLVKDONJSA-N 0 0 255.789 3.876 10 0 CHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccsc2)C12CCCC2 ZINC000150802319 520564515 /nfs/dbraw/zinc/56/45/15/520564515.db2.gz HZMOXUJKSHXRTK-KBPBESRZSA-N 0 0 293.432 3.558 10 0 CHAERN CC1(C)[C@H](Nc2cccc(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000085629361 520673520 /nfs/dbraw/zinc/67/35/20/520673520.db2.gz ZCIDDLXMMIROSH-XQQFMLRXSA-N 0 0 251.757 3.565 10 0 CHAERN CCCCOCCNc1ccccc1OC(F)F ZINC000049262038 520785876 /nfs/dbraw/zinc/78/58/76/520785876.db2.gz GDFOQOIYJPPOED-UHFFFAOYSA-N 0 0 259.296 3.517 10 0 CHAERN CCCCOCCOc1c(Cl)cc(N)cc1Cl ZINC000049261314 520792135 /nfs/dbraw/zinc/79/21/35/520792135.db2.gz DOCQOJMWCWPVIR-UHFFFAOYSA-N 0 0 278.179 3.771 10 0 CHAERN CCC[C@@H]1CC[C@@H](O)[C@H](Oc2cccc(F)c2F)C1 ZINC000062652659 520829018 /nfs/dbraw/zinc/82/90/18/520829018.db2.gz BKJQJAUEOLVAHQ-MPKXVKKWSA-N 0 0 270.319 3.673 10 0 CHAERN CCC[C@@](C)([NH2+][C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000049514428 520927713 /nfs/dbraw/zinc/92/77/13/520927713.db2.gz LBVCWYLZVLJSIR-QMTHXVAHSA-N 0 0 269.772 3.634 10 0 CHAERN CCN(CCC(=O)C(C)(C)C)c1ccc(F)cc1 ZINC000054026575 520982126 /nfs/dbraw/zinc/98/21/26/520982126.db2.gz LGLJZSMTKXAJON-UHFFFAOYSA-N 0 0 251.345 3.657 10 0 CHAERN CCOc1ccc(N[C@H](C)c2cn(C)nc2C)cc1Cl ZINC000087408991 521139062 /nfs/dbraw/zinc/13/90/62/521139062.db2.gz NPDZAWXBFUXVNG-SNVBAGLBSA-N 0 0 293.798 3.954 10 0 CHAERN CCOC(=O)[C@@](C)(Nc1ccccc1Cl)C(C)C ZINC000052883778 521156539 /nfs/dbraw/zinc/15/65/39/521156539.db2.gz OLUMHEYRMBFTDF-AWEZNQCLSA-N 0 0 269.772 3.730 10 0 CHAERN CCOc1ccc([C@@H](O)C2=CCCC2)cc1OCC ZINC000050329054 521231986 /nfs/dbraw/zinc/23/19/86/521231986.db2.gz NDESHTKYJLCCPE-INIZCTEOSA-N 0 0 262.349 3.628 10 0 CHAERN CCCc1cc(N)nc(-c2ccc(Br)s2)n1 ZINC000050866608 521367066 /nfs/dbraw/zinc/36/70/66/521367066.db2.gz QIZWWDAEVDVKAS-UHFFFAOYSA-N 0 0 298.209 3.502 10 0 CHAERN CCOc1cccc(OCc2ccnc(Cl)c2)c1 ZINC000052727109 521404383 /nfs/dbraw/zinc/40/43/83/521404383.db2.gz OPZPCEZAISRDMZ-UHFFFAOYSA-N 0 0 263.724 3.713 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](C)c1ccc(Cl)cc1 ZINC000049526371 521569840 /nfs/dbraw/zinc/56/98/40/521569840.db2.gz JVNBNSUPLSVKRZ-SECBINFHSA-N 0 0 281.812 3.782 10 0 CHAERN CCC1(CC)CCN(c2c(N)ccc(F)c2F)CC1 ZINC000062953425 521688462 /nfs/dbraw/zinc/68/84/62/521688462.db2.gz YIXJQUIXSQFCSD-UHFFFAOYSA-N 0 0 268.351 3.954 10 0 CHAERN CCCN(Cc1nc(NCC)ccc1Cl)C1CC1 ZINC000061630980 521694244 /nfs/dbraw/zinc/69/42/44/521694244.db2.gz HTTHYAWNYRYKDO-UHFFFAOYSA-N 0 0 267.804 3.541 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2nc(C(C)C)ns2)C1 ZINC000226804350 521733079 /nfs/dbraw/zinc/73/30/79/521733079.db2.gz DNLXZVQAYVEZCK-UWVGGRQHSA-N 0 0 271.455 3.748 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccsc2)c1 ZINC000050342423 521803937 /nfs/dbraw/zinc/80/39/37/521803937.db2.gz XVRFDEZRFAOSSB-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN CC[C@H](C)c1ccccc1OCc1nnsc1NC ZINC000050831275 522049740 /nfs/dbraw/zinc/04/97/40/522049740.db2.gz JTDUHBKYMMEMJJ-JTQLQIEISA-N 0 0 277.393 3.672 10 0 CHAERN COCCn1cc(N[C@@H](C)c2cc(C)c(C)cc2C)cn1 ZINC000037090276 522109742 /nfs/dbraw/zinc/10/97/42/522109742.db2.gz PNUZZAGHDBWFQV-HNNXBMFYSA-N 0 0 287.407 3.628 10 0 CHAERN COc1cc(Cl)c(C)cc1N[C@H](C)c1cn(C)nc1C ZINC000087406429 522520761 /nfs/dbraw/zinc/52/07/61/522520761.db2.gz GFVOCUIKWGPOLQ-SNVBAGLBSA-N 0 0 293.798 3.872 10 0 CHAERN CN(CC(C)(C)C)c1nnc(Cl)c2ccccc21 ZINC000050530446 522548158 /nfs/dbraw/zinc/54/81/58/522548158.db2.gz REDGNLSMONPSBW-UHFFFAOYSA-N 0 0 263.772 3.766 10 0 CHAERN CNc1ccc(CSCc2ccccc2C)cn1 ZINC000054964892 522612526 /nfs/dbraw/zinc/61/25/26/522612526.db2.gz XEPUFFKROPDGBL-UHFFFAOYSA-N 0 0 258.390 3.865 10 0 CHAERN CNc1ccc(Cl)c(COc2c(C)cccc2C)n1 ZINC000061639942 522624355 /nfs/dbraw/zinc/62/43/55/522624355.db2.gz GOALNNSBUUGAFH-UHFFFAOYSA-N 0 0 276.767 3.973 10 0 CHAERN CNc1ccc(Cl)c(COc2cc(C)ccc2C)n1 ZINC000061640041 522624718 /nfs/dbraw/zinc/62/47/18/522624718.db2.gz IFNHUFWCCSWQKI-UHFFFAOYSA-N 0 0 276.767 3.973 10 0 CHAERN CNc1nc(-c2cc(Br)cs2)nc(C)c1C ZINC000050865842 522674037 /nfs/dbraw/zinc/67/40/37/522674037.db2.gz VJRSMSJSJJTXSF-UHFFFAOYSA-N 0 0 298.209 3.626 10 0 CHAERN CNc1nc(-c2cccc(C)c2)nc(C)c1C(C)C ZINC000061687393 522677172 /nfs/dbraw/zinc/67/71/72/522677172.db2.gz TUXPWVGHJCVJJG-UHFFFAOYSA-N 0 0 255.365 3.926 10 0 CHAERN O=C(c1cc(Cl)sc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000335145029 534662134 /nfs/dbraw/zinc/66/21/34/534662134.db2.gz ZTWRFBAWTNKJJM-HTRCEHHLSA-N 0 0 276.188 3.679 10 0 CHAERN CC[C@@H](NC(=O)c1cccc(Cl)n1)c1cccs1 ZINC000051074145 522792056 /nfs/dbraw/zinc/79/20/56/522792056.db2.gz XLMFHUHVCZDMNK-SECBINFHSA-N 0 0 280.780 3.678 10 0 CHAERN CC[C@@H]([NH2+][C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000049356112 522931051 /nfs/dbraw/zinc/93/10/51/522931051.db2.gz YRWBARCVYIQITD-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN CCc1onc(C)c1C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000161890745 523041825 /nfs/dbraw/zinc/04/18/25/523041825.db2.gz GBLIKLACFUGAJD-PIGZYNQJSA-N 0 0 298.386 3.517 10 0 CHAERN CC[C@H]1CC[C@@H](c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)O1 ZINC000299743591 523189177 /nfs/dbraw/zinc/18/91/77/523189177.db2.gz LNGGWAGUHOZXTL-CYDGBPFRSA-N 0 0 294.395 3.618 10 0 CHAERN Cc1nc2ccccc2nc1N1CC[C@@H]2CCCC[C@H]21 ZINC000301582492 534692637 /nfs/dbraw/zinc/69/26/37/534692637.db2.gz QBRGWUAYOQKXBT-XJKSGUPXSA-N 0 0 267.376 3.707 10 0 CHAERN CN(Cc1ccc(Cl)nc1)C(=O)CCCC(C)(C)C ZINC000103520051 523231105 /nfs/dbraw/zinc/23/11/05/523231105.db2.gz CQSFTSRQXWZDJT-UHFFFAOYSA-N 0 0 282.815 3.910 10 0 CHAERN CN(Cc1cccs1)c1ccc(C(N)=S)cc1Cl ZINC000062795280 523450199 /nfs/dbraw/zinc/45/01/99/523450199.db2.gz PEBDOQFNZCZFRF-UHFFFAOYSA-N 0 0 296.848 3.672 10 0 CHAERN COc1ccc(C(=O)C2CCC(C)CC2)c(OC)c1 ZINC000055232714 523572590 /nfs/dbraw/zinc/57/25/90/523572590.db2.gz FDDWLICACDJQQP-UHFFFAOYSA-N 0 0 262.349 3.713 10 0 CHAERN CCn1nc(CN[C@@H](C)c2ccc(C)o2)c2ccccc21 ZINC000089174177 523677590 /nfs/dbraw/zinc/67/75/90/523677590.db2.gz MCHZAZGGOZXWEZ-ZDUSSCGKSA-N 0 0 283.375 3.808 10 0 CHAERN CCc1c(C)nc(-c2ccc(C)cc2C)nc1NC ZINC000050864761 523708475 /nfs/dbraw/zinc/70/84/75/523708475.db2.gz LCZCQPMIAYJAGU-UHFFFAOYSA-N 0 0 255.365 3.673 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccoc1Cl ZINC000192349974 534739517 /nfs/dbraw/zinc/73/95/17/534739517.db2.gz QPPNBKVZOUZYCS-CYBMUJFWSA-N 0 0 293.725 3.880 10 0 CHAERN CCc1ccc(Cl)c(CC)c1NC(=O)[C@H](C)COC ZINC000103358481 523952187 /nfs/dbraw/zinc/95/21/87/523952187.db2.gz XVKGETDWSJXBLP-SNVBAGLBSA-N 0 0 283.799 3.686 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C2CC=CC2)o1 ZINC000128536474 524034756 /nfs/dbraw/zinc/03/47/56/524034756.db2.gz XEQHHYUJOLHUHJ-HNNXBMFYSA-N 0 0 273.376 3.862 10 0 CHAERN COc1ccc(C[C@@H](O)C2CCCC2)cc1Br ZINC000049598672 524139892 /nfs/dbraw/zinc/13/98/92/524139892.db2.gz RISHWCKCUKLJAN-CYBMUJFWSA-N 0 0 299.208 3.551 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(N)=S)cc1Cl ZINC000062795150 524143620 /nfs/dbraw/zinc/14/36/20/524143620.db2.gz CKGAWGIORFXAAO-SKDRFNHKSA-N 0 0 282.840 3.965 10 0 CHAERN C[C@@H]1CCCC[C@H]1Oc1ccc(C(N)=S)c(Cl)c1 ZINC000061850383 524179380 /nfs/dbraw/zinc/17/93/80/524179380.db2.gz MZKTUCCVEYKQDF-NOZJJQNGSA-N 0 0 283.824 3.932 10 0 CHAERN COc1ccc(Cl)c(N[C@H](C)c2cn(C)nc2C)c1 ZINC000087409519 524186247 /nfs/dbraw/zinc/18/62/47/524186247.db2.gz ANDGBTSCNWBHLH-SECBINFHSA-N 0 0 279.771 3.564 10 0 CHAERN C[C@H](CCNc1cc(Cl)ncn1)c1ccccc1 ZINC000061911766 524199420 /nfs/dbraw/zinc/19/94/20/524199420.db2.gz YPEYFAUMFDDISZ-LLVKDONJSA-N 0 0 261.756 3.736 10 0 CHAERN C[C@H]1CCC[C@H](N(C)c2c(N)ccc(F)c2F)C1 ZINC000053166122 524201748 /nfs/dbraw/zinc/20/17/48/524201748.db2.gz XTYLPZLPKKTLSU-UWVGGRQHSA-N 0 0 254.324 3.562 10 0 CHAERN C[C@H]1CCC[C@](O)(c2ccccc2OC(F)(F)F)C1 ZINC000055189801 524226315 /nfs/dbraw/zinc/22/63/15/524226315.db2.gz GSZKTGCQKLPTCA-GXFFZTMASA-N 0 0 274.282 3.983 10 0 CHAERN C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000163798751 524238130 /nfs/dbraw/zinc/23/81/30/524238130.db2.gz MGPPTWLBCZZJHB-KDOFPFPSSA-N 0 0 279.383 3.984 10 0 CHAERN COc1ccc(Cl)cc1[C@@H](O)Cc1ccccc1F ZINC000055203100 524252126 /nfs/dbraw/zinc/25/21/26/524252126.db2.gz CTIAUGYGCVTJEH-AWEZNQCLSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1cc(C)c(N2[C@@H]3CCC[C@H]2CC(=O)C3)c(C)c1 ZINC000054600858 524278806 /nfs/dbraw/zinc/27/88/06/524278806.db2.gz CKEPTDXNGIFCTL-GASCZTMLSA-N 0 0 257.377 3.702 10 0 CHAERN C[C@@H]1CCC[C@@H](N(C)c2c(N)ccc(F)c2F)C1 ZINC000053166126 524301692 /nfs/dbraw/zinc/30/16/92/524301692.db2.gz XTYLPZLPKKTLSU-NXEZZACHSA-N 0 0 254.324 3.562 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)O1 ZINC000151486425 524337354 /nfs/dbraw/zinc/33/73/54/524337354.db2.gz FTFXDHCYEAWUIT-FZMZJTMJSA-N 0 0 287.384 3.921 10 0 CHAERN Cc1cccc(N(C)C(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000121256348 524514896 /nfs/dbraw/zinc/51/48/96/524514896.db2.gz SHHRIGNSDLOPPN-GJZGRUSLSA-N 0 0 272.392 3.569 10 0 CHAERN Cc1cc(C=O)ccc1Oc1cccc(N(C)C)c1 ZINC000050545219 524610930 /nfs/dbraw/zinc/61/09/30/524610930.db2.gz JQGAAKPYSFBQFA-UHFFFAOYSA-N 0 0 255.317 3.666 10 0 CHAERN Cc1ccc(COc2ccc(Br)cc2N)cc1 ZINC000057604996 524628345 /nfs/dbraw/zinc/62/83/45/524628345.db2.gz RJNGOHOVWJIECO-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN COc1ccccc1[C@@H](O)C(C)(C)c1ccccc1 ZINC000062772990 524740720 /nfs/dbraw/zinc/74/07/20/524740720.db2.gz PMQHUUYYBLFQOQ-MRXNPFEDSA-N 0 0 256.345 3.706 10 0 CHAERN Cc1cc(CN[C@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000044692521 524776540 /nfs/dbraw/zinc/77/65/40/524776540.db2.gz XIZDNIXMQHOKGQ-CQSZACIVSA-N 0 0 288.391 3.869 10 0 CHAERN Cc1ccc(F)cc1[C@H](O)c1ccc2c(c1)CCC2 ZINC000062666081 524873627 /nfs/dbraw/zinc/87/36/27/524873627.db2.gz QKJBQKYLHHZHCY-QGZVFWFLSA-N 0 0 256.320 3.705 10 0 CHAERN Cc1ccc(I)cc1-c1ccncc1 ZINC000047213975 524874924 /nfs/dbraw/zinc/87/49/24/524874924.db2.gz XHROLDQBKPXGHT-UHFFFAOYSA-N 0 0 295.123 3.662 10 0 CHAERN Cc1cccc([C@H](O)c2ccc(Cl)cc2F)c1 ZINC000062785503 524886175 /nfs/dbraw/zinc/88/61/75/524886175.db2.gz QKRFLOREVFTINE-AWEZNQCLSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1cc(F)c(Br)cc1N[C@H](C)c1cn[nH]c1 ZINC000285418455 524925317 /nfs/dbraw/zinc/92/53/17/524925317.db2.gz YATSLKBUAXCNCC-MRVPVSSYSA-N 0 0 298.159 3.793 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Nc1cccc(SC(F)F)c1 ZINC000076037341 524962109 /nfs/dbraw/zinc/96/21/09/524962109.db2.gz ZTDOPNQITPIIIF-OIBJUYFYSA-N 0 0 272.320 3.531 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000366479434 524965787 /nfs/dbraw/zinc/96/57/87/524965787.db2.gz NNJWMTVUAHENOQ-DOMZBBRYSA-N 0 0 261.340 3.539 10 0 CHAERN Cc1cc(N(CC(F)(F)F)C(C)C)ccc1C=O ZINC000050575331 525031387 /nfs/dbraw/zinc/03/13/87/525031387.db2.gz MQJCSMSJQCPOAV-UHFFFAOYSA-N 0 0 259.271 3.585 10 0 CHAERN Cc1cc(N)cnc1Nc1ccc(Br)cc1F ZINC000052812443 525041488 /nfs/dbraw/zinc/04/14/88/525041488.db2.gz BYSCGBSSGZDDBV-UHFFFAOYSA-N 0 0 296.143 3.617 10 0 CHAERN Cc1ccccc1CSCc1ccc(O)c(N)c1 ZINC000054963798 525182984 /nfs/dbraw/zinc/18/29/84/525182984.db2.gz KUKLEYKSTPROFJ-UHFFFAOYSA-N 0 0 259.374 3.716 10 0 CHAERN Cc1cc(N[C@H](C)c2cccc(Br)c2)ncn1 ZINC000040727338 525300305 /nfs/dbraw/zinc/30/03/05/525300305.db2.gz HEEBKBYAEBBSCA-SNVBAGLBSA-N 0 0 292.180 3.721 10 0 CHAERN Cc1cc(N[C@H](C)c2cccs2)nc(Cl)n1 ZINC000052814373 525301135 /nfs/dbraw/zinc/30/11/35/525301135.db2.gz PCOUFOFQSXWXMU-MRVPVSSYSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000125982623 525326806 /nfs/dbraw/zinc/32/68/06/525326806.db2.gz KVKHHXGMYJWSRN-SKDRFNHKSA-N 0 0 286.297 3.711 10 0 CHAERN Cc1cc(OCCC(C)(C)C(N)=S)ccc1Cl ZINC000057901695 525370088 /nfs/dbraw/zinc/37/00/88/525370088.db2.gz YIZFMERMHWGPNE-UHFFFAOYSA-N 0 0 271.813 3.730 10 0 CHAERN COc1ccc([C@H](O)C2CCC(C)CC2)c(OC)c1 ZINC000055232786 525375961 /nfs/dbraw/zinc/37/59/61/525375961.db2.gz SISOTELGBRLABR-ZEPSKSRBSA-N 0 0 264.365 3.564 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125024056 525455083 /nfs/dbraw/zinc/45/50/83/525455083.db2.gz HAXNGCOEIJTSOC-MEDUHNTESA-N 0 0 268.360 3.692 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000190599073 525558918 /nfs/dbraw/zinc/55/89/18/525558918.db2.gz NMVKMKMJBIQHAC-WCBMZHEXSA-N 0 0 288.174 3.747 10 0 CHAERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2C[C@@H]2C)cs1 ZINC000333407935 534864852 /nfs/dbraw/zinc/86/48/52/534864852.db2.gz GLZSQWCRTYYEKQ-ZANVPECISA-N 0 0 287.388 3.648 10 0 CHAERN COc1ccc2cc(-c3ncsc3N)ccc2c1 ZINC000050307995 525620794 /nfs/dbraw/zinc/62/07/94/525620794.db2.gz HKPWEMJVKRLKJA-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN Cc1cc2c(n1[C@@H](C)c1ccsc1)CCC[C@H]2O ZINC000061367056 525622769 /nfs/dbraw/zinc/62/27/69/525622769.db2.gz YDIMLRANZDOFPA-XHDPSFHLSA-N 0 0 261.390 3.837 10 0 CHAERN C[C@H](Nc1noc(-c2ccccc2)n1)c1ccco1 ZINC000156956232 525688278 /nfs/dbraw/zinc/68/82/78/525688278.db2.gz QXHBYUSCSJZXME-JTQLQIEISA-N 0 0 255.277 3.503 10 0 CHAERN C[C@@H](Nc1cc(Cl)ccc1C(N)=S)c1ccncc1 ZINC000062788061 525697449 /nfs/dbraw/zinc/69/74/49/525697449.db2.gz BGGLJRJCKDDHDY-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN C[C@@](O)(Cc1c(F)cccc1Cl)c1ccccc1 ZINC000049346225 525779975 /nfs/dbraw/zinc/77/99/75/525779975.db2.gz ZMBHJQNEMADTTF-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000156362493 525801635 /nfs/dbraw/zinc/80/16/35/525801635.db2.gz RVIUUVUMGYZPEY-BHYGNILZSA-N 0 0 287.403 3.616 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC000054933280 525864621 /nfs/dbraw/zinc/86/46/21/525864621.db2.gz ACDWHJNBYRWSQW-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@@H](O)c1ccc(N(C)C2CCCC2)c(Cl)c1 ZINC000061695196 525868346 /nfs/dbraw/zinc/86/83/46/525868346.db2.gz UZJYVVBHUDIYCX-SNVBAGLBSA-N 0 0 253.773 3.772 10 0 CHAERN C[C@@H](O)c1ccc(F)cc1OCc1ccc(F)cc1 ZINC000062749397 525868658 /nfs/dbraw/zinc/86/86/58/525868658.db2.gz SZPQGZZOVSAGFJ-SNVBAGLBSA-N 0 0 264.271 3.597 10 0 CHAERN Cc1ccsc1[C@@H](O)Cc1cccc(Cl)c1 ZINC000052945498 525873233 /nfs/dbraw/zinc/87/32/33/525873233.db2.gz VUPLBFWQDWSIFX-LBPRGKRZSA-N 0 0 252.766 3.986 10 0 CHAERN Cc1c(O)cccc1OCc1csc(C(C)C)n1 ZINC000049277224 525881525 /nfs/dbraw/zinc/88/15/25/525881525.db2.gz FZGCUEIOTKYRAJ-UHFFFAOYSA-N 0 0 263.362 3.860 10 0 CHAERN Cc1ccc(-n2cnc3cc(N)ccc32)cc1Cl ZINC000052842739 525918419 /nfs/dbraw/zinc/91/84/19/525918419.db2.gz VSKISVZYYVLUQA-UHFFFAOYSA-N 0 0 257.724 3.570 10 0 CHAERN Cc1ccc([C@H](C)N[C@@H](C)c2nc3ccccc3n2C)o1 ZINC000036960060 525934547 /nfs/dbraw/zinc/93/45/47/525934547.db2.gz MXKNQMICFDXBML-STQMWFEESA-N 0 0 283.375 3.887 10 0 CHAERN Cc1ccc([C@H](C)n2c(=S)[nH]nc2C(C)C)o1 ZINC000049219601 525951284 /nfs/dbraw/zinc/95/12/84/525951284.db2.gz OBABEGJLGKMYTL-VIFPVBQESA-N 0 0 251.355 3.575 10 0 CHAERN Cc1ccc(Br)cc1Nc1ncc(N)cc1C ZINC000052812892 525987947 /nfs/dbraw/zinc/98/79/47/525987947.db2.gz QPMWVZZRQQIBKD-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN CSc1ccc(NCCCOCC(F)(F)F)cc1 ZINC000049312181 526042541 /nfs/dbraw/zinc/04/25/41/526042541.db2.gz YKTCFRHPHPMJQR-UHFFFAOYSA-N 0 0 279.327 3.789 10 0 CHAERN COc1cccc(C[C@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791961 526080781 /nfs/dbraw/zinc/08/07/81/526080781.db2.gz UOBVWTNEFVMQNI-HNNXBMFYSA-N 0 0 280.726 3.764 10 0 CHAERN CSc1ccccc1C(=O)N1CCCc2c(N)cccc21 ZINC000163644890 526149465 /nfs/dbraw/zinc/14/94/65/526149465.db2.gz CNFPHGCPQHXTAK-UHFFFAOYSA-N 0 0 298.411 3.584 10 0 CHAERN C[C@@H](c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1)C1CC1 ZINC000190385141 526174325 /nfs/dbraw/zinc/17/43/25/526174325.db2.gz ZAHZKXPTUKXTFM-USWWRNFRSA-N 0 0 264.369 3.502 10 0 CHAERN Cc1ccc2c(n1)nc(C)cc2Nc1ccc(O)cc1 ZINC000047162351 526223534 /nfs/dbraw/zinc/22/35/34/526223534.db2.gz AYRRMRNHFLOXMI-UHFFFAOYSA-N 0 0 265.316 3.696 10 0 CHAERN Cc1ccc2nc(-c3cc(F)c(F)cc3N)oc2c1 ZINC000061564067 526240519 /nfs/dbraw/zinc/24/05/19/526240519.db2.gz DWCUIJMVSTVZMT-UHFFFAOYSA-N 0 0 260.243 3.664 10 0 CHAERN C[C@H]1CCCC[C@H]1Nc1ccc(C(N)=S)cc1Cl ZINC000062795153 526262310 /nfs/dbraw/zinc/26/23/10/526262310.db2.gz CKGAWGIORFXAAO-JOYOIKCWSA-N 0 0 282.840 3.965 10 0 CHAERN Cc1coc(-c2cccc(NC(=O)N[C@H](C)CC3CC3)c2)n1 ZINC000157795014 526278238 /nfs/dbraw/zinc/27/82/38/526278238.db2.gz QXAKVTKJVZUQHH-LLVKDONJSA-N 0 0 299.374 3.960 10 0 CHAERN O=C(CC1CC1)c1c[nH]c2ccc(Br)cc12 ZINC000049729133 526346581 /nfs/dbraw/zinc/34/65/81/526346581.db2.gz KSJQJRVYEGSBEN-UHFFFAOYSA-N 0 0 278.149 3.913 10 0 CHAERN Cc1csc(Cn2c3ccc(F)cc3[nH]c2=S)n1 ZINC000049534152 526369181 /nfs/dbraw/zinc/36/91/81/526369181.db2.gz AQTBEXQBNOGYBY-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN Cc1nc(-c2cccc(Cl)c2)[nH]c(=O)c1C(C)C ZINC000061688260 526584460 /nfs/dbraw/zinc/58/44/60/526584460.db2.gz WCXNMNZFESYFHC-UHFFFAOYSA-N 0 0 262.740 3.522 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccc(C)cc2N)s1 ZINC000049533726 526747540 /nfs/dbraw/zinc/74/75/40/526747540.db2.gz KPWJTJIAORUKEW-SNVBAGLBSA-N 0 0 261.394 3.824 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2cccc(N)c2C)s1 ZINC000062725013 526747733 /nfs/dbraw/zinc/74/77/33/526747733.db2.gz MKHPIVRMAXYCLY-SNVBAGLBSA-N 0 0 261.394 3.824 10 0 CHAERN Cc1occc1CN(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000056532172 526818740 /nfs/dbraw/zinc/81/87/40/526818740.db2.gz QKYAQKFBWCBJNU-ZDUSSCGKSA-N 0 0 286.375 3.799 10 0 CHAERN CC(C)(C)c1n[nH]cc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333244680 526849110 /nfs/dbraw/zinc/84/91/10/526849110.db2.gz QRWPILYHDNLZDO-UHFFFAOYSA-N 0 0 288.395 3.835 10 0 CHAERN CC(C)(C)c1nnc(N[C@H]2CCOc3ccccc32)s1 ZINC000301736709 526894321 /nfs/dbraw/zinc/89/43/21/526894321.db2.gz RLFVCAQABPLAAU-NSHDSACASA-N 0 0 289.404 3.771 10 0 CHAERN Cc1nc(CNc2nc3cc(F)ccc3s2)cs1 ZINC000049534233 526901910 /nfs/dbraw/zinc/90/19/10/526901910.db2.gz HGRIBGIPRINEMY-UHFFFAOYSA-N 0 0 279.365 3.812 10 0 CHAERN Clc1cc(Cl)c(NCc2ccc[nH]2)c2nsnc21 ZINC000051789002 526928663 /nfs/dbraw/zinc/92/86/63/526928663.db2.gz GDONMTLVBNUSRD-UHFFFAOYSA-N 0 0 299.186 3.938 10 0 CHAERN Cc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000052835573 526934180 /nfs/dbraw/zinc/93/41/80/526934180.db2.gz KAMXHOJUEMIDGP-UHFFFAOYSA-N 0 0 277.799 3.819 10 0 CHAERN O=C1CCCCCCN1Cc1ccccc1Br ZINC000049600484 526970648 /nfs/dbraw/zinc/97/06/48/526970648.db2.gz VZHNBTAXGHRBPW-UHFFFAOYSA-N 0 0 296.208 3.742 10 0 CHAERN Cc1nc([C@@H]2CCCN2c2cnc3ccccc3n2)cs1 ZINC000189199631 527054011 /nfs/dbraw/zinc/05/40/11/527054011.db2.gz FHVKHKNIUTWCDU-HNNXBMFYSA-N 0 0 296.399 3.736 10 0 CHAERN NC(=S)c1c(Cl)cccc1Nc1cccc(F)c1F ZINC000052905524 527113078 /nfs/dbraw/zinc/11/30/78/527113078.db2.gz KVFFVCCDJDFHNT-UHFFFAOYSA-N 0 0 298.745 3.996 10 0 CHAERN NC(=S)c1ccc(OCCc2cccs2)c(Cl)c1 ZINC000062796468 527119847 /nfs/dbraw/zinc/11/98/47/527119847.db2.gz MUIZNFUEXQAKFQ-UHFFFAOYSA-N 0 0 297.832 3.657 10 0 CHAERN Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC1(C)C ZINC000102919046 527121254 /nfs/dbraw/zinc/12/12/54/527121254.db2.gz UVBGTLWCJRPSJH-UHFFFAOYSA-N 0 0 286.350 3.697 10 0 CHAERN NNc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC000051096293 527281687 /nfs/dbraw/zinc/28/16/87/527281687.db2.gz MWXUQGMNOJYFSJ-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Nc1ccc(-c2nc3cc(Br)ccc3o2)cc1 ZINC000062559941 527464950 /nfs/dbraw/zinc/46/49/50/527464950.db2.gz OMSMFYYANYOVTG-UHFFFAOYSA-N 0 0 289.132 3.840 10 0 CHAERN Nc1ccc(F)cc1N[C@@H]1CCCc2sccc21 ZINC000061361065 527489995 /nfs/dbraw/zinc/48/99/95/527489995.db2.gz XPWIJLKBEPCNRI-GFCCVEGCSA-N 0 0 262.353 3.959 10 0 CHAERN Nc1ccc(OCc2ccc(F)cc2F)cc1Cl ZINC000050871871 527497775 /nfs/dbraw/zinc/49/77/75/527497775.db2.gz MONHUPOLNJRHRQ-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN O=C(NC1CCCC1)N(Cc1ccco1)C1CCCC1 ZINC000101601885 527507048 /nfs/dbraw/zinc/50/70/48/527507048.db2.gz MICQQMNZKDOWKJ-UHFFFAOYSA-N 0 0 276.380 3.676 10 0 CHAERN OCc1cccc(Oc2cccc(Cl)c2Cl)n1 ZINC000051042618 527638203 /nfs/dbraw/zinc/63/82/03/527638203.db2.gz KKSCYJQRZNFENQ-UHFFFAOYSA-N 0 0 270.115 3.673 10 0 CHAERN O[C@@H](Cc1c(Cl)cccc1Cl)CC1CCOCC1 ZINC000053786918 527664432 /nfs/dbraw/zinc/66/44/32/527664432.db2.gz TWNNZSIDASBGMT-LLVKDONJSA-N 0 0 289.202 3.714 10 0 CHAERN O[C@@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062791909 527665615 /nfs/dbraw/zinc/66/56/15/527665615.db2.gz USIVZEWNLTXAJN-ZDUSSCGKSA-N 0 0 254.663 3.700 10 0 CHAERN O[C@@H](c1ccc(Cl)s1)c1c(F)cc(F)cc1F ZINC000051172865 527665923 /nfs/dbraw/zinc/66/59/23/527665923.db2.gz ADFSMQDQCRBABV-NSHDSACASA-N 0 0 278.682 3.901 10 0 CHAERN O[C@@H](c1ccc(F)cc1F)C1(c2ccccc2)CC1 ZINC000061618453 527667070 /nfs/dbraw/zinc/66/70/70/527667070.db2.gz YTWCRQKRXJOSHO-HNNXBMFYSA-N 0 0 260.283 3.730 10 0 CHAERN O[C@@H](c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000052897671 527667108 /nfs/dbraw/zinc/66/71/08/527667108.db2.gz KZSXKBOGSXKQBR-ZDUSSCGKSA-N 0 0 270.225 3.926 10 0 CHAERN FC(F)(F)c1cc(NCc2cnccn2)ccc1Cl ZINC000054765757 527680480 /nfs/dbraw/zinc/68/04/80/527680480.db2.gz QDWOFVLXAJVYIY-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(Cl)cc1C ZINC000087406808 527697094 /nfs/dbraw/zinc/69/70/94/527697094.db2.gz QPXUFXMWLZQKPE-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(OC(C)C)cc1 ZINC000087407239 527700157 /nfs/dbraw/zinc/70/01/57/527700157.db2.gz YAISGNHDJMALIY-LBPRGKRZSA-N 0 0 273.380 3.689 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(Cl)cc1C ZINC000087406806 527700196 /nfs/dbraw/zinc/70/01/96/527700196.db2.gz QPXUFXMWLZQKPE-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cc(Cl)ccc1C ZINC000087406347 527700294 /nfs/dbraw/zinc/70/02/94/527700294.db2.gz OVARNAPAEKRUCF-JTQLQIEISA-N 0 0 263.772 3.863 10 0 CHAERN CC1CCC(=Cc2nc(-c3cscn3)no2)CC1 ZINC000330324244 528165405 /nfs/dbraw/zinc/16/54/05/528165405.db2.gz IHTPGFXMJZAFJP-UHFFFAOYSA-N 0 0 261.350 3.787 10 0 CHAERN CC[C@H](CNc1ncccn1)c1ccc(Cl)cc1 ZINC000301713570 529373720 /nfs/dbraw/zinc/37/37/20/529373720.db2.gz WDRZNIMAIQGILU-LLVKDONJSA-N 0 0 261.756 3.736 10 0 CHAERN O=C(C[C@@H]1NC=Cc2ccccc21)c1cccs1 ZINC000000041807 566945456 /nfs/dbraw/zinc/94/54/56/566945456.db2.gz DBKFVPCUHZQHCM-ZDUSSCGKSA-N 0 0 255.342 3.636 10 0 CHAERN CCOC(COc1c(Cl)cccc1Cl)OCC ZINC000000163029 567820683 /nfs/dbraw/zinc/82/06/83/567820683.db2.gz RCGUDGMNTDETBY-UHFFFAOYSA-N 0 0 279.163 3.771 10 0 CHAERN CCN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O ZINC000002560101 567848198 /nfs/dbraw/zinc/84/81/98/567848198.db2.gz PMOYAPWQLZTKJB-UHFFFAOYSA-N 0 0 298.773 3.544 10 0 in-vitro CHAERN CCN(CC)C(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285679 567876241 /nfs/dbraw/zinc/87/62/41/567876241.db2.gz AXMDYLZNBQKHNF-UHFFFAOYSA-N 0 0 262.378 3.520 10 0 CHAERN CC[C@H](C)c1nc2[nH]cc(Br)c2c(Cl)n1 ZINC000584881450 567882751 /nfs/dbraw/zinc/88/27/51/567882751.db2.gz RWIFOYDPSMZRIN-YFKPBYRVSA-N 0 0 288.576 3.839 10 0 CHAERN C[C@@H]1C[C@@H](C)n2nc(C(C)(C)C)c(Br)c2N1 ZINC000235377100 567884117 /nfs/dbraw/zinc/88/41/17/567884117.db2.gz VPVNFIJHOKVOIE-HTQZYQBOSA-N 0 0 286.217 3.708 10 0 CHAERN C=CCC(CC1CCCCC1)(C(=O)OCC)C(=O)OCC ZINC000395342308 567907360 /nfs/dbraw/zinc/90/73/60/567907360.db2.gz HJDPWZUYIBQJBM-UHFFFAOYSA-N 0 0 296.407 3.646 10 0 CHAERN C[Si](C)(C)CCSCc1nc(C2CCC2)no1 ZINC000725244733 567908141 /nfs/dbraw/zinc/90/81/41/567908141.db2.gz ANXVOTCLQAGQHA-UHFFFAOYSA-N 0 0 270.474 3.909 10 0 CHAERN Cc1cc2nc(C3CC(F)(F)C3)nn2c(Cl)c1C ZINC000725246120 567908275 /nfs/dbraw/zinc/90/82/75/567908275.db2.gz JWGDCUXMPWTPIA-UHFFFAOYSA-N 0 0 271.698 3.512 10 0 CHAERN CCCCO[C@@H](C)OCC(F)(F)[C@@H](F)C(F)(F)F ZINC000098210584 567911706 /nfs/dbraw/zinc/91/17/06/567911706.db2.gz MHWJJEAAUALWDP-HTQZYQBOSA-N 0 0 282.224 3.701 10 0 CHAERN C[C@@H]1[C@@H]2CN(Cc3ccccc3)C(=O)[C@@H]2[C@H]1c1ccccc1 ZINC000725262410 567922540 /nfs/dbraw/zinc/92/25/40/567922540.db2.gz MBZQOSXXZZQCON-FDPIWHGQSA-N 0 0 291.394 3.695 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(F)cc2F)n1 ZINC000725269845 567924270 /nfs/dbraw/zinc/92/42/70/567924270.db2.gz DZRQTMVWXMPDKW-UHFFFAOYSA-N 0 0 258.218 3.786 10 0 CHAERN Cn1cc(C(F)F)c(-c2ccc(Cl)cc2F)n1 ZINC000725270418 567924839 /nfs/dbraw/zinc/92/48/39/567924839.db2.gz MRHDOSYNANTUSJ-UHFFFAOYSA-N 0 0 260.646 3.817 10 0 CHAERN CC(C)Cc1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243280 570255163 /nfs/dbraw/zinc/25/51/63/570255163.db2.gz UVZDRCGJPWZDPO-UHFFFAOYSA-N 0 0 265.788 3.879 10 0 CHAERN Fc1ccc(-c2cc(Br)ncn2)c(Cl)c1 ZINC000160953524 570301308 /nfs/dbraw/zinc/30/13/08/570301308.db2.gz QGGYJBWDXLWPDB-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN Clc1ccccc1-c1cc(Br)ncn1 ZINC000160923483 570301370 /nfs/dbraw/zinc/30/13/70/570301370.db2.gz GISJQJHNQTZJMW-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN CCOC(=O)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000238292291 570319382 /nfs/dbraw/zinc/31/93/82/570319382.db2.gz HBVBKPLNSJDJOI-UHFFFAOYSA-N 0 0 289.331 3.601 10 0 CHAERN CCC(=O)[C@@H]1CCCN(c2ccccc2C(C)C)C1=O ZINC000536949725 570358268 /nfs/dbraw/zinc/35/82/68/570358268.db2.gz BVTBVEUVJFRMQD-AWEZNQCLSA-N 0 0 273.376 3.532 10 0 CHAERN CC(C)c1cc(Br)nc(C(C)(C)C)n1 ZINC000160932493 570407667 /nfs/dbraw/zinc/40/76/67/570407667.db2.gz UHHOIXKDWSYZIF-UHFFFAOYSA-N 0 0 257.175 3.660 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1/C=C/Br ZINC000606297613 570408321 /nfs/dbraw/zinc/40/83/21/570408321.db2.gz IWRVSZNWWUMXDN-QROSGCPLSA-N 0 0 290.201 3.685 10 0 CHAERN CCCc1nn2c(c1Br)NC[C@H](C)[C@@H]2CC ZINC000233389066 570411244 /nfs/dbraw/zinc/41/12/44/570411244.db2.gz YTTRKBMVIPTCSU-WPRPVWTQSA-N 0 0 286.217 3.611 10 0 CHAERN CCCc1nn2c(c1Br)NCC[C@@H]2C(C)C ZINC000233388751 570411454 /nfs/dbraw/zinc/41/14/54/570411454.db2.gz NYVQFWGQJJXYRZ-SNVBAGLBSA-N 0 0 286.217 3.611 10 0 CHAERN Cc1ccc(C)c(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000692414994 976456951 /nfs/dbraw/zinc/45/69/51/976456951.db2.gz RWSCFUWBRRPGKU-UHFFFAOYSA-N 0 0 297.398 3.780 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC000701825584 977044922 /nfs/dbraw/zinc/04/49/22/977044922.db2.gz HMKHUGFZDWWEBS-GFCCVEGCSA-N 0 0 289.400 3.948 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000701831775 977046766 /nfs/dbraw/zinc/04/67/66/977046766.db2.gz RUBFIFUYHUWGKI-BBRMVZONSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000701831782 977046974 /nfs/dbraw/zinc/04/69/74/977046974.db2.gz RUBFIFUYHUWGKI-CZUORRHYSA-N 0 0 275.392 3.704 10 0 CHAERN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000706240131 977311081 /nfs/dbraw/zinc/31/10/81/977311081.db2.gz NDMKPIMTRJUHFA-QMMMGPOBSA-N 0 0 297.326 3.575 10 0 CHAERN Cc1cc(C)cc(N(C)C(=O)[C@@H]2CCCc3cccnc32)c1 ZINC000194101124 1125551707 /nfs/dbraw/zinc/55/17/07/1125551707.db2.gz IYTLWSZERMEUTK-QGZVFWFLSA-N 0 0 294.398 3.781 10 0 CHAERN Cc1nc(CNC2(c3ccc(F)cc3)CCCC2)oc1C ZINC000104076563 1118229944 /nfs/dbraw/zinc/22/99/44/1118229944.db2.gz XNTYYQGSRHILJB-UHFFFAOYSA-N 0 0 288.366 3.990 10 0 CHAERN O=C1CC[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000585144274 1118551114 /nfs/dbraw/zinc/55/11/14/1118551114.db2.gz HODFDZYSBOREIS-MRXNPFEDSA-N 0 0 252.313 3.712 10 0 CHAERN CC(C)(C)c1ccc(COC(=O)/C=C\c2ccncn2)cc1 ZINC000588435704 1118732265 /nfs/dbraw/zinc/73/22/65/1118732265.db2.gz KFXPZKUYDZILRR-HJWRWDBZSA-N 0 0 296.370 3.531 10 0 CHAERN O=C(/C=C\SCc1ccco1)OCCC[C@@H]1CCCO1 ZINC000588449171 1118788174 /nfs/dbraw/zinc/78/81/74/1118788174.db2.gz WUPAODCYOCKGER-YLBKJLTLSA-N 0 0 296.388 3.529 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCCC2(CCCCC2)C1 ZINC000588455450 1118804010 /nfs/dbraw/zinc/80/40/10/1118804010.db2.gz XUZYRQNEMDNCNJ-HJWRWDBZSA-N 0 0 298.430 3.976 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)NC/C=C\c1ccccc1 ZINC000588497900 1119004401 /nfs/dbraw/zinc/00/44/01/1119004401.db2.gz BZDLOXMHWLVXIL-KBABRGLLSA-N 0 0 257.377 3.808 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)OCC1(C)CCOCC1 ZINC000588510464 1119046075 /nfs/dbraw/zinc/04/60/75/1119046075.db2.gz GWPRZLRTMUBQHR-QBFSEMIESA-N 0 0 292.350 3.589 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000588514150 1119053848 /nfs/dbraw/zinc/05/38/48/1119053848.db2.gz STVSSCAMVFGLBF-KTKRTIGZSA-N 0 0 273.380 3.593 10 0 CHAERN C/C=C(/CC)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000588573550 1119332469 /nfs/dbraw/zinc/33/24/69/1119332469.db2.gz BCGZBDBIOKHAFB-WMZJFQQLSA-N 0 0 265.740 3.837 10 0 CHAERN CC1(C)CCC(c2noc([C@]3(C)CCC(=O)NC3)n2)CC1 ZINC000329659111 1119471910 /nfs/dbraw/zinc/47/19/10/1119471910.db2.gz HNXSNWDNUMXVKX-MRXNPFEDSA-N 0 0 291.395 3.761 10 0 CHAERN Cc1ccc([C@@H](C)NCc2cn3cc(Cl)ccc3n2)o1 ZINC000105863553 1120044859 /nfs/dbraw/zinc/04/48/59/1120044859.db2.gz RKBZWPDVDVMNGV-LLVKDONJSA-N 0 0 289.766 3.740 10 0 CHAERN CC(=O)c1cc(F)ccc1N1CCC[C@H](C(F)(F)F)C1 ZINC000105881119 1120086015 /nfs/dbraw/zinc/08/60/15/1120086015.db2.gz PLHQQHNFUJTBKG-JTQLQIEISA-N 0 0 289.272 3.807 10 0 CHAERN CC1(C)[C@H](Nc2ccsc2Cl)[C@H]2CCO[C@@H]21 ZINC000309377320 1120285368 /nfs/dbraw/zinc/28/53/68/1120285368.db2.gz CVAMPHVVUJOGRT-QNSHHTMESA-N 0 0 257.786 3.627 10 0 CHAERN CC(C)(C)COC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000102144987 1122886151 /nfs/dbraw/zinc/88/61/51/1122886151.db2.gz QVXPVSNEFBYWIL-UHFFFAOYSA-N 0 0 287.359 3.864 10 0 CHAERN CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2F)C1 ZINC000102706356 1122939393 /nfs/dbraw/zinc/93/93/93/1122939393.db2.gz HVBAVXLEKGCBOA-GHMZBOCLSA-N 0 0 286.730 3.594 10 0 CHAERN Cc1cc([C@H](C)N[C@H](C)c2nc(C(C)(C)C)no2)c(C)o1 ZINC000183793718 1123194183 /nfs/dbraw/zinc/19/41/83/1123194183.db2.gz ZJGMHXWAQXTRSE-WDEREUQCSA-N 0 0 291.395 3.989 10 0 CHAERN CCOc1ccccc1CCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000103369194 1123785937 /nfs/dbraw/zinc/78/59/37/1123785937.db2.gz LGCWBVJRYUOCMI-HUUCEWRRSA-N 0 0 289.419 3.807 10 0 CHAERN COCc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000193419843 1125344269 /nfs/dbraw/zinc/34/42/69/1125344269.db2.gz BURRQUSQQNAEEV-ZACQAIPSSA-N 0 0 287.403 3.593 10 0 CHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1C[C@H]1C ZINC000184469400 1129630853 /nfs/dbraw/zinc/63/08/53/1129630853.db2.gz PPTNBORBSWHPME-SKDRFNHKSA-N 0 0 287.388 3.648 10 0 CHAERN CCC[C@H](OC(=O)c1cscn1)c1ccccc1 ZINC000103337066 1129745723 /nfs/dbraw/zinc/74/57/23/1129745723.db2.gz ASXISMALFKJJBK-ZDUSSCGKSA-N 0 0 261.346 3.841 10 0 CHAERN CC(C)(C)Oc1cc(OC2CC2)cnc1Br ZINC000095719857 185018719 /nfs/dbraw/zinc/01/87/19/185018719.db2.gz DOFPJJCNDXMFQD-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)(C)Oc1ccc(OC2CC2)c(Br)n1 ZINC000095725085 185020673 /nfs/dbraw/zinc/02/06/73/185020673.db2.gz QXYHCNGNUVEWII-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CSc1ccc(Br)cc1OC1CC1 ZINC000095733042 185022824 /nfs/dbraw/zinc/02/28/24/185022824.db2.gz FQORFNAUTFOMBS-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN Fc1ccc2oc3c(nc(Cl)nc3Cl)c2c1 ZINC000095761807 185026239 /nfs/dbraw/zinc/02/62/39/185026239.db2.gz FKELREONBVTENS-UHFFFAOYSA-N 0 0 257.051 3.822 10 0 CHAERN Cc1nc(Cl)nc2c1CC1(CCCCC1)S2 ZINC000095831305 185029939 /nfs/dbraw/zinc/02/99/39/185029939.db2.gz LEQUBOKRWDSNQZ-UHFFFAOYSA-N 0 0 254.786 3.790 10 0 CHAERN C[C@@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000095918477 185031200 /nfs/dbraw/zinc/03/12/00/185031200.db2.gz FCOKAVPKKDPGKU-VIFPVBQESA-N 0 0 293.310 3.554 10 0 CHAERN Cc1cnc(N(C)Cc2ccccc2)c(Br)c1 ZINC000082586829 178123320 /nfs/dbraw/zinc/12/33/20/178123320.db2.gz MWXWSOQOFJDEAL-UHFFFAOYSA-N 0 0 291.192 3.789 10 0 CHAERN Cc1cnc(NCCc2ccccc2)c(Br)c1 ZINC000082586830 178123366 /nfs/dbraw/zinc/12/33/66/178123366.db2.gz ITCPTTABFQAOJA-UHFFFAOYSA-N 0 0 291.192 3.807 10 0 CHAERN O=C(OCc1ccccc1)c1cnc2[nH]ccc2c1Cl ZINC000095937296 185034398 /nfs/dbraw/zinc/03/43/98/185034398.db2.gz FVVQJXYNITYSGZ-UHFFFAOYSA-N 0 0 286.718 3.573 10 0 CHAERN Cc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)cc1C ZINC000082698313 178198119 /nfs/dbraw/zinc/19/81/19/178198119.db2.gz HUTPRPJQHQGMQI-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN COc1ccc([C@@H](C)Nc2cccc(N(C)C)c2)cc1 ZINC000082712284 178224975 /nfs/dbraw/zinc/22/49/75/178224975.db2.gz OTOHSCVCKRJWCP-CYBMUJFWSA-N 0 0 270.376 3.934 10 0 CHAERN CCCOc1ccc([C@@H](O)CC)cc1Br ZINC000083162874 178346316 /nfs/dbraw/zinc/34/63/16/178346316.db2.gz LLHQFILOXCJSRW-NSHDSACASA-N 0 0 273.170 3.681 10 0 CHAERN Cc1ccc(Br)cc1C(=O)C1CCC1 ZINC000083255983 178371569 /nfs/dbraw/zinc/37/15/69/178371569.db2.gz VRNMCCZPUPLYSF-UHFFFAOYSA-N 0 0 253.139 3.740 10 0 CHAERN Clc1cc(-c2ccccc2Br)ncn1 ZINC000096945814 185135388 /nfs/dbraw/zinc/13/53/88/185135388.db2.gz KRQFMQXTDMQRLM-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN CCC1(CC)CC(=O)c2cc(Br)ccc2O1 ZINC000096976994 185144810 /nfs/dbraw/zinc/14/48/10/185144810.db2.gz ICAXGCLQVQCLIZ-UHFFFAOYSA-N 0 0 283.165 3.973 10 0 CHAERN CN(Cc1ccccc1)c1nc(Br)cs1 ZINC000084193759 178822442 /nfs/dbraw/zinc/82/24/42/178822442.db2.gz FUFXDONOMLRNLL-UHFFFAOYSA-N 0 0 283.194 3.542 10 0 CHAERN COc1ccc(C(=O)c2c(C)oc3ccccc32)cc1 ZINC000002576320 169812364 /nfs/dbraw/zinc/81/23/64/169812364.db2.gz YHTKTSKKNRXRKB-UHFFFAOYSA-N 0 0 266.296 3.981 10 0 CHAERN COC(=O)c1cc(Sc2cccc(Cl)c2)ccc1N ZINC000104157426 185913895 /nfs/dbraw/zinc/91/38/95/185913895.db2.gz UUYKAUHJSJQDLY-UHFFFAOYSA-N 0 0 293.775 3.860 10 0 CHAERN CCc1nc2c(F)ccc(Cl)c2c(NC)c1C ZINC000104157655 185913341 /nfs/dbraw/zinc/91/33/41/185913341.db2.gz FWOVJLWANZXUCO-UHFFFAOYSA-N 0 0 252.720 3.940 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1C(N)=S ZINC000104173990 185917011 /nfs/dbraw/zinc/91/70/11/185917011.db2.gz NPTUOFDDVCRMDR-CABZTGNLSA-N 0 0 282.840 3.965 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2ccc(F)c(Cl)c2)n1 ZINC000104183072 185918237 /nfs/dbraw/zinc/91/82/37/185918237.db2.gz KAQAKPPEWLBHTP-UHFFFAOYSA-N 0 0 295.770 3.560 10 0 CHAERN Cc1sc(N)c(-c2nc3ccc(F)cc3o2)c1C ZINC000104232641 185938113 /nfs/dbraw/zinc/93/81/13/185938113.db2.gz NKZWRNDHQDWUIJ-UHFFFAOYSA-N 0 0 262.309 3.894 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C)CC1 ZINC000104347676 185977588 /nfs/dbraw/zinc/97/75/88/185977588.db2.gz CHYUSKRRCZLEON-LLVKDONJSA-N 0 0 280.799 3.644 10 0 CHAERN CC[C@@H]1CCCC[C@H]1[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000104379159 185987056 /nfs/dbraw/zinc/98/70/56/185987056.db2.gz VJOGOHXRQLSJNJ-HUUCEWRRSA-N 0 0 267.413 3.532 10 0 CHAERN CC(C)(C)OC(=O)N1CCc2cc(Cl)sc2CC1 ZINC000090484579 179990916 /nfs/dbraw/zinc/99/09/16/179990916.db2.gz IHJLHMIJWYWBCD-UHFFFAOYSA-N 0 0 287.812 3.737 10 0 CHAERN COc1ccc([C@H](O)C[C@H](C)C(C)(C)C)cc1F ZINC000104434185 186000770 /nfs/dbraw/zinc/00/07/70/186000770.db2.gz YDAXDXMRTSGKEE-GXFFZTMASA-N 0 0 254.345 3.940 10 0 CHAERN Cc1cc(N)c(NC(=O)C[C@H](C)C(C)(C)C)cc1C ZINC000104435529 186001107 /nfs/dbraw/zinc/00/11/07/186001107.db2.gz XPRGMRMVOWVXEA-LBPRGKRZSA-N 0 0 262.397 3.896 10 0 CHAERN Cc1ccc(N)cc1Nc1nccc(-c2ccccc2)n1 ZINC000090598584 180010647 /nfs/dbraw/zinc/01/06/47/180010647.db2.gz XPNPAUBWIKWBGV-UHFFFAOYSA-N 0 0 276.343 3.778 10 0 CHAERN O=Cc1ccccc1-c1cncc(Oc2cccnc2)c1 ZINC000090669407 180019987 /nfs/dbraw/zinc/01/99/87/180019987.db2.gz IQEHHTOAURFSLJ-UHFFFAOYSA-N 0 0 276.295 3.748 10 0 CHAERN C=C(/C=C1/N=C(c2ccccc2)OC1=O)c1ccccc1 ZINC000090734038 180033427 /nfs/dbraw/zinc/03/34/27/180033427.db2.gz POPASVJYJXNPFY-FOWTUZBSSA-N 0 0 275.307 3.587 10 0 CHAERN COCCCSCC(=O)c1c(C)cc(C)cc1C ZINC000104444290 186004340 /nfs/dbraw/zinc/00/43/40/186004340.db2.gz CGZWEVDLXODJSX-UHFFFAOYSA-N 0 0 266.406 3.564 10 0 CHAERN COc1ccc(OC)c(C(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000104448927 186006067 /nfs/dbraw/zinc/00/60/67/186006067.db2.gz PXKWKQUWFWGCSD-LLVKDONJSA-N 0 0 264.365 3.959 10 0 CHAERN CCn1ccnc1CSCCOc1ccccc1Cl ZINC000083631625 260354000 /nfs/dbraw/zinc/35/40/00/260354000.db2.gz HOTYHBFSWCOEJD-UHFFFAOYSA-N 0 0 296.823 3.869 10 0 CHAERN CCOC(=O)c1cccc2c(=O)cc(-c3ccccc3)oc12 ZINC000165844113 188633823 /nfs/dbraw/zinc/63/38/23/188633823.db2.gz WFTXTFSQNRKRQG-UHFFFAOYSA-N 0 0 294.306 3.637 10 0 CHAERN Cc1[nH]nc2c1c(Br)ccc2C(F)(F)F ZINC000261507343 190040208 /nfs/dbraw/zinc/04/02/08/190040208.db2.gz HOXPLUWUSPQESQ-UHFFFAOYSA-N 0 0 279.059 3.653 10 0 CHAERN O=Cc1cc2cc(OC(F)(F)F)ccc2nc1Cl ZINC000261508029 190040226 /nfs/dbraw/zinc/04/02/26/190040226.db2.gz PBDBIKDSQJWCCV-UHFFFAOYSA-N 0 0 275.613 3.599 10 0 CHAERN O=C(NCc1ccccc1)/C(Cl)=C/c1ccccc1 ZINC000000492150 169655464 /nfs/dbraw/zinc/65/54/64/169655464.db2.gz GUHBIZCSQFLURE-PTNGSMBKSA-N 0 0 271.747 3.583 10 0 CHAERN COc1ccc(/C=C/C(=O)Oc2cc(C)ccc2C)cc1 ZINC000000505149 169658103 /nfs/dbraw/zinc/65/81/03/169658103.db2.gz PQBDOKOEXVMUHS-DHZHZOJOSA-N 0 0 282.339 3.931 10 0 CHAERN COc1cc(SC)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000192665287 533105596 /nfs/dbraw/zinc/10/55/96/533105596.db2.gz HJZUEWNXPAYSRF-JTQLQIEISA-N 0 0 282.409 3.583 10 0 CHAERN CC(=O)Oc1cn(-c2ccccc2)c2ccccc12 ZINC000096299034 256781608 /nfs/dbraw/zinc/78/16/08/256781608.db2.gz RUSDDKCNWDTJPN-UHFFFAOYSA-N 0 0 251.285 3.556 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)Cc2ccccc2O)cc1 ZINC000171234733 335060515 /nfs/dbraw/zinc/06/05/15/335060515.db2.gz NRLLMJPVUHPECY-AWEZNQCLSA-N 0 0 297.398 3.936 10 0 CHAERN CO[C@@H](C)CNc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000302649554 533341108 /nfs/dbraw/zinc/34/11/08/533341108.db2.gz JTGUFTGZJLUCPZ-QMMMGPOBSA-N 0 0 285.174 3.988 10 0 CHAERN C[C@H]1C[C@H](C)CN(c2cnnc3c(Cl)cccc23)C1 ZINC000006998326 134664950 /nfs/dbraw/zinc/66/49/50/134664950.db2.gz ONLSGEIFPSIZQI-QWRGUYRKSA-N 0 0 275.783 3.766 10 0 CHAERN c1ccc(CN2c3ccccc3S[C@H]3CCO[C@H]32)cc1 ZINC000019045471 134699730 /nfs/dbraw/zinc/69/97/30/134699730.db2.gz GPHAFLAQYXKJBD-DLBZAZTESA-N 0 0 283.396 3.914 10 0 CHAERN C[C@H]1CCc2ccccc2N1c1ccc(N)cc1F ZINC000020474812 134731483 /nfs/dbraw/zinc/73/14/83/134731483.db2.gz VIJHDOXXAANQRB-NSHDSACASA-N 0 0 256.324 3.881 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCc3ccccc32)c(F)c1 ZINC000035631431 134800488 /nfs/dbraw/zinc/80/04/88/134800488.db2.gz OWYZOZLEDPHIDG-GFCCVEGCSA-N 0 0 271.335 3.963 10 0 CHAERN Cc1c(Cl)nnc(N2CC[C@@H]3CCCC[C@@H]3C2)c1C ZINC000071171379 134958426 /nfs/dbraw/zinc/95/84/26/134958426.db2.gz QXRJGHXFQICOQE-QWHCGFSZSA-N 0 0 279.815 3.763 10 0 CHAERN COc1cccc(/C=C/C(=O)Nc2cc(C)ccc2C)c1 ZINC000003478999 169891018 /nfs/dbraw/zinc/89/10/18/169891018.db2.gz ZYGFHVFJNNKTQP-MDZDMXLPSA-N 0 0 281.355 3.964 10 0 CHAERN CC(C)(C)c1nnc2c3c4c(sc3ncn21)CCCC4 ZINC000005414507 170096443 /nfs/dbraw/zinc/09/64/43/170096443.db2.gz HKRAJKJGBISVRF-UHFFFAOYSA-N 0 0 286.404 3.515 10 0 CHAERN CCCCN(CCCC)C(=O)c1ccccc1OC(C)=O ZINC000005419466 170097195 /nfs/dbraw/zinc/09/71/95/170097195.db2.gz UWDXXYSZFIPQFN-UHFFFAOYSA-N 0 0 291.391 3.654 10 0 CHAERN CCCCC(=O)Nc1ccccc1NC(=O)CCCC ZINC000005501863 170105011 /nfs/dbraw/zinc/10/50/11/170105011.db2.gz OYRRBPGUGDQTAF-UHFFFAOYSA-N 0 0 276.380 3.944 10 0 CHAERN O=c1cc(-c2ccc(Cl)cc2)nc2[nH]cccc1-2 ZINC000005541488 170110724 /nfs/dbraw/zinc/11/07/24/170110724.db2.gz WCUARJVKIMLOAO-UHFFFAOYSA-N 0 0 256.692 3.656 10 0 CHAERN CCCCCNC(=O)/C=C/c1ccc(OCCC)cc1 ZINC000005645741 170123392 /nfs/dbraw/zinc/12/33/92/170123392.db2.gz VKOHYUFOKUJSDI-FMIVXFBMSA-N 0 0 275.392 3.795 10 0 CHAERN O=C(/C=C/c1cccc(Cl)c1)N1CCCCCC1 ZINC000005671071 170126361 /nfs/dbraw/zinc/12/63/61/170126361.db2.gz MWANNKSWMOSTJX-CMDGGOBGSA-N 0 0 263.768 3.756 10 0 CHAERN C[C@]12CC[C@@H]3c4cc(O)ccc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000005764430 170138440 /nfs/dbraw/zinc/13/84/40/170138440.db2.gz YEOSPIFUAAHCPK-YFUQURRKSA-N 0 0 272.388 3.609 10 0 in-vitro CHAERN CCC[C@@H]1CC[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000005839688 170145877 /nfs/dbraw/zinc/14/58/77/170145877.db2.gz LEXNQFMZOCFPDH-OLZOCXBDSA-N 0 0 280.364 3.733 10 0 in-vitro CHAERN Nc1ccc(Br)c2c3ccccc3oc21 ZINC000005939923 170159206 /nfs/dbraw/zinc/15/92/06/170159206.db2.gz HJQPXHGOYBUDPE-UHFFFAOYSA-N 0 0 262.106 3.931 10 0 CHAERN c1ccc2c(c1)nc(-c1cccnc1)cc2N1CCCC1 ZINC000005939887 170159376 /nfs/dbraw/zinc/15/93/76/170159376.db2.gz QIIXIROOWAWACN-UHFFFAOYSA-N 0 0 275.355 3.897 10 0 CHAERN COc1cccc(-c2nnc(-c3cc(C)ccc3C)[nH]2)c1 ZINC000006070713 170174099 /nfs/dbraw/zinc/17/40/99/170174099.db2.gz DDZKDENUAPJIGC-UHFFFAOYSA-N 0 0 279.343 3.764 10 0 CHAERN Clc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000006093412 170175828 /nfs/dbraw/zinc/17/58/28/170175828.db2.gz JBPIQJRKYBMLIC-UHFFFAOYSA-N 0 0 264.115 3.932 10 0 CHAERN C/C(=C/c1ccccc1)C(=O)NC1CCCCCC1 ZINC000006301192 170189570 /nfs/dbraw/zinc/18/95/70/170189570.db2.gz IRKPQYLKFIEOCF-YPKPFQOOSA-N 0 0 257.377 3.929 10 0 CHAERN CC[C@H](c1cccc(Cl)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000006449968 170201966 /nfs/dbraw/zinc/20/19/66/170201966.db2.gz WUCFBCMZEQITEF-CQSZACIVSA-N 0 0 281.783 3.588 10 0 CHAERN Cc1ccc2c(=O)cc(-c3ccc(Cl)cc3)nc-2[nH]1 ZINC000006488308 170205281 /nfs/dbraw/zinc/20/52/81/170205281.db2.gz RIVJLXUGNRBXCS-UHFFFAOYSA-N 0 0 270.719 3.552 10 0 CHAERN O=[S@@]1c2ccccc2SN1Cc1c(F)cccc1F ZINC000006583356 170215671 /nfs/dbraw/zinc/21/56/71/170215671.db2.gz UDSCSUFFANGZPT-IBGZPJMESA-N 0 0 297.351 3.510 10 0 CHAERN O=C(CSCc1ccccc1)n1cnc2ccccc21 ZINC000006597361 170217947 /nfs/dbraw/zinc/21/79/47/170217947.db2.gz CZJREJISPJUMAP-UHFFFAOYSA-N 0 0 282.368 3.610 10 0 CHAERN Nc1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000006665195 170223641 /nfs/dbraw/zinc/22/36/41/170223641.db2.gz LAQXIGGMCZTJPD-UHFFFAOYSA-N 0 0 297.745 3.587 10 0 CHAERN CCSC[C@@H]1COC(c2cn(CC)c3ccccc23)=N1 ZINC000006919869 170255433 /nfs/dbraw/zinc/25/54/33/170255433.db2.gz VXBSILFTONPHNO-LBPRGKRZSA-N 0 0 288.416 3.560 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1C ZINC000007215251 170272261 /nfs/dbraw/zinc/27/22/61/170272261.db2.gz MYSPFHMSJIYFQG-MRXNPFEDSA-N 0 0 281.355 3.557 10 0 CHAERN CSc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000007268919 170275320 /nfs/dbraw/zinc/27/53/20/170275320.db2.gz NBOIGKRCYZBRPW-OAHLLOKOSA-N 0 0 299.395 3.662 10 0 CHAERN Cc1noc(C)c1-c1ccc(C(=O)Nc2ccncc2)s1 ZINC000007277495 170275706 /nfs/dbraw/zinc/27/57/06/170275706.db2.gz YSHYQBYLIZLDSK-UHFFFAOYSA-N 0 0 299.355 3.667 10 0 CHAERN CCCNc1nc(-c2cc(OC)ccc2OC)cs1 ZINC000007643362 170294927 /nfs/dbraw/zinc/29/49/27/170294927.db2.gz LKUMVAGGVBECKW-UHFFFAOYSA-N 0 0 278.377 3.649 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(OC)cc1 ZINC000007652338 170295892 /nfs/dbraw/zinc/29/58/92/170295892.db2.gz IIBPZXZPBRAZSE-MDWZMJQESA-N 0 0 297.354 3.746 10 0 CHAERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000008162782 170322208 /nfs/dbraw/zinc/32/22/08/170322208.db2.gz JHZUOQIWPZFBDD-ZDUSSCGKSA-N 0 0 287.334 3.849 10 0 CHAERN Cc1ccccc1/C=C/C(=O)NCCc1ccc(F)cc1 ZINC000008264639 170327625 /nfs/dbraw/zinc/32/76/25/170327625.db2.gz GUCULMMVGMLBHX-DHZHZOJOSA-N 0 0 283.346 3.506 10 0 CHAERN Cc1ccc(C2=NN[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000008550058 170339624 /nfs/dbraw/zinc/33/96/24/170339624.db2.gz ZXZYDPDHXBFPHG-MRXNPFEDSA-N 0 0 254.308 3.573 10 0 CHAERN Cc1sc2[nH]cnc(=NN)c2c1-c1ccc(C)c(C)c1 ZINC000008550794 170339928 /nfs/dbraw/zinc/33/99/28/170339928.db2.gz VKYXLUYJAZHCDB-UHFFFAOYSA-N 0 0 284.388 3.569 10 0 CHAERN CC[C@@H](C)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009207492 170366627 /nfs/dbraw/zinc/36/66/27/170366627.db2.gz JLHZVQFHPCXSSH-GFCCVEGCSA-N 0 0 295.338 3.665 10 0 CHAERN Cc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000009267205 170369875 /nfs/dbraw/zinc/36/98/75/170369875.db2.gz BVGANTAFUGJHGI-UHFFFAOYSA-N 0 0 298.338 3.779 10 0 CHAERN CCC(CC)C(=O)Nc1ccc(Nc2cc(C)ncn2)cc1 ZINC000012224055 170473351 /nfs/dbraw/zinc/47/33/51/170473351.db2.gz RTMKDQPSHFSJPU-UHFFFAOYSA-N 0 0 298.390 3.903 10 0 CHAERN CSCc1csc(NC(=O)CCc2ccccc2)n1 ZINC000012287092 170474588 /nfs/dbraw/zinc/47/45/88/170474588.db2.gz RGHAUHMRMAOYFO-UHFFFAOYSA-N 0 0 292.429 3.577 10 0 CHAERN FC(F)(F)c1ccc(-n2ccc(-c3ccccc3)n2)nc1 ZINC000015203256 170658878 /nfs/dbraw/zinc/65/88/78/170658878.db2.gz DKKQUGYETUZMKU-UHFFFAOYSA-N 0 0 289.260 3.953 10 0 CHAERN COc1ccc(OC)c(C(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000016901513 170714422 /nfs/dbraw/zinc/71/44/22/170714422.db2.gz PFNWLJGBQTVVJE-LSDHHAIUSA-N 0 0 282.339 3.690 10 0 CHAERN CC(C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000017300932 170732521 /nfs/dbraw/zinc/73/25/21/170732521.db2.gz KJNMKZYAZSOYPU-YHWZYXNKSA-N 0 0 299.505 3.514 10 0 CHAERN O=C(Nc1cccc2c1NCCC2)c1c(F)cccc1F ZINC000019267162 170765390 /nfs/dbraw/zinc/76/53/90/170765390.db2.gz KPDUIVQGHSOEPT-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN Nc1ccccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000019384585 170778452 /nfs/dbraw/zinc/77/84/52/170778452.db2.gz YALXHEOQQRSYGY-UHFFFAOYSA-N 0 0 276.339 3.603 10 0 CHAERN Cc1ccccc1C(=O)Nc1cccc2c1CCCN2 ZINC000019404359 170785979 /nfs/dbraw/zinc/78/59/79/170785979.db2.gz OMKRMFAQDSIJIZ-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN Cc1ccsc1C(=O)Nc1ccc(Cl)cc1N ZINC000019481646 170809958 /nfs/dbraw/zinc/80/99/58/170809958.db2.gz CVQMEOFVTNHFQK-UHFFFAOYSA-N 0 0 266.753 3.544 10 0 CHAERN O=C(CNc1ccc(F)cc1F)Nc1ccccc1Cl ZINC000019773252 170857778 /nfs/dbraw/zinc/85/77/78/170857778.db2.gz UPXMQOONSSONQG-UHFFFAOYSA-N 0 0 296.704 3.669 10 0 CHAERN NC(=S)c1ccc(COc2ccccc2Cl)c(F)c1 ZINC000019806090 170874956 /nfs/dbraw/zinc/87/49/56/170874956.db2.gz HOCXDELIGOOOTC-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN COc1ccccc1Oc1ccc(F)cc1C(C)=O ZINC000019871553 170902055 /nfs/dbraw/zinc/90/20/55/170902055.db2.gz FTRNTFVXUHGFOG-UHFFFAOYSA-N 0 0 260.264 3.829 10 0 CHAERN Nc1ccc2c(c1)CCN2C(=O)CCC1CCCCC1 ZINC000019874614 170904306 /nfs/dbraw/zinc/90/43/06/170904306.db2.gz GEXXULOZNZKCSR-UHFFFAOYSA-N 0 0 272.392 3.518 10 0 CHAERN COc1ccccc1[C@@H](C)Nc1ccc2c(c1)OCCO2 ZINC000019916129 170925506 /nfs/dbraw/zinc/92/55/06/170925506.db2.gz VEZUDNGIGAWHCE-GFCCVEGCSA-N 0 0 285.343 3.640 10 0 CHAERN N[C@H](c1ccc2[nH]c3ccccc3c2c1)C(F)(F)F ZINC000019968315 170950445 /nfs/dbraw/zinc/95/04/45/170950445.db2.gz MOYZZBHAWPDGIP-CYBMUJFWSA-N 0 0 264.250 3.883 10 0 CHAERN CCOC(=O)CNc1cc(Cl)c(Cl)cc1Cl ZINC000020043705 170976600 /nfs/dbraw/zinc/97/66/00/170976600.db2.gz YAKVLMROOACMNI-UHFFFAOYSA-N 0 0 282.554 3.622 10 0 CHAERN Cc1ccccc1NC(=O)CNc1ccc2c(c1)CCC2 ZINC000020048680 170978370 /nfs/dbraw/zinc/97/83/70/170978370.db2.gz LBUCJVMPILNRMG-UHFFFAOYSA-N 0 0 280.371 3.534 10 0 CHAERN Cc1ccc(N)cc1NC(=O)[C@H](C)Sc1cccs1 ZINC000020078139 170985181 /nfs/dbraw/zinc/98/51/81/170985181.db2.gz LXVQLYDMZDZISK-JTQLQIEISA-N 0 0 292.429 3.758 10 0 CHAERN COc1ccc(CNc2ccc3[nH]ccc3c2)cc1OC ZINC000020132241 171020537 /nfs/dbraw/zinc/02/05/37/171020537.db2.gz QJBHHYUEOTYDCF-UHFFFAOYSA-N 0 0 282.343 3.797 10 0 CHAERN CCC(=O)Nc1cccc(NCc2cccs2)c1 ZINC000020131868 171020667 /nfs/dbraw/zinc/02/06/67/171020667.db2.gz PVMUFZNRKOOSQI-UHFFFAOYSA-N 0 0 260.362 3.709 10 0 CHAERN Cc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@@H](C)C3 ZINC000020157844 171039556 /nfs/dbraw/zinc/03/95/56/171039556.db2.gz RETAJWMKAKZXRB-SNVBAGLBSA-N 0 0 290.432 3.547 10 0 CHAERN Nc1cccc(CC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000020186232 171050046 /nfs/dbraw/zinc/05/00/46/171050046.db2.gz KVUYRJXRVKCQHP-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN C[C@H]1CCCC[C@H]1Nc1ccc(-c2nnco2)cc1 ZINC000020186828 171050801 /nfs/dbraw/zinc/05/08/01/171050801.db2.gz VDAJPIGMLGGCAC-SMDDNHRTSA-N 0 0 257.337 3.727 10 0 CHAERN C[C@@H](Nc1cccc(-c2nnco2)c1)c1ccco1 ZINC000020187296 171051920 /nfs/dbraw/zinc/05/19/20/171051920.db2.gz RQNCDVZZRMRUDL-SNVBAGLBSA-N 0 0 255.277 3.503 10 0 CHAERN Cc1cc(C=O)cc(C)c1OCc1cccc(F)c1 ZINC000020297961 171138049 /nfs/dbraw/zinc/13/80/49/171138049.db2.gz HCKFFLCWAITZCF-UHFFFAOYSA-N 0 0 258.292 3.834 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NC2CCCCC2)c(Cl)c1 ZINC000020301067 171139144 /nfs/dbraw/zinc/13/91/44/171139144.db2.gz KCXAWTGIELHLBI-GFCCVEGCSA-N 0 0 294.826 3.898 10 0 CHAERN COc1ccccc1COc1ccc(Cl)cc1N ZINC000020353648 171157035 /nfs/dbraw/zinc/15/70/35/171157035.db2.gz SLTPEHHPTZEJPF-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CC(C)c1ccccc1N[C@H](C)C(=O)NC(C)(C)C ZINC000020359212 171157901 /nfs/dbraw/zinc/15/79/01/171157901.db2.gz WWOACTRWNYCSGQ-GFCCVEGCSA-N 0 0 262.397 3.525 10 0 CHAERN CC(C)CCNc1ccccc1I ZINC000020359026 171158020 /nfs/dbraw/zinc/15/80/20/171158020.db2.gz NEEPPTIELOVHQR-UHFFFAOYSA-N 0 0 289.160 3.749 10 0 CHAERN COC(=O)CCOc1cc(Cl)c(Cl)cc1Cl ZINC000020361772 171160320 /nfs/dbraw/zinc/16/03/20/171160320.db2.gz IMUPWUJUMNSYKS-UHFFFAOYSA-N 0 0 283.538 3.589 10 0 CHAERN O=Cc1cc(Br)ccc1OCc1cccs1 ZINC000020362221 171160793 /nfs/dbraw/zinc/16/07/93/171160793.db2.gz DUPUNYPVJMFFNE-UHFFFAOYSA-N 0 0 297.173 3.902 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020365042 171163536 /nfs/dbraw/zinc/16/35/36/171163536.db2.gz IQNXQXLCQORBDE-LLVKDONJSA-N 0 0 280.437 3.514 10 0 CHAERN Nc1cc(F)ccc1NCc1ccccc1Cl ZINC000020382726 171173341 /nfs/dbraw/zinc/17/33/41/171173341.db2.gz IETQHAAPFWBUIX-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Nc1ccc(NCc2ccc(F)cc2)c(Cl)c1 ZINC000020383593 171174075 /nfs/dbraw/zinc/17/40/75/171174075.db2.gz XKYDADJWUUVXSZ-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN [NH3+][C@@H](CCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000020423318 171190196 /nfs/dbraw/zinc/19/01/96/171190196.db2.gz DWTDIMVDCMAYIT-INIZCTEOSA-N 0 0 269.344 3.608 10 0 CHAERN COc1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000020435417 171201205 /nfs/dbraw/zinc/20/12/05/171201205.db2.gz LYIUXAIPCYMEHQ-UHFFFAOYSA-N 0 0 264.708 3.633 10 0 CHAERN OCc1c(Cl)cccc1Oc1ccc(F)cc1 ZINC000020435386 171201256 /nfs/dbraw/zinc/20/12/56/171201256.db2.gz RKDUGFKDFPSMDQ-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN OCc1cc2ccccc2nc1Oc1ccccc1 ZINC000020468832 171210537 /nfs/dbraw/zinc/21/05/37/171210537.db2.gz FKNSDONXKASTIW-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN CC[C@H](C)Nc1ccccc1I ZINC000020479866 171221533 /nfs/dbraw/zinc/22/15/33/171221533.db2.gz VSRUNRWDVQWNMO-QMMMGPOBSA-N 0 0 275.133 3.502 10 0 CHAERN Ic1cccc(NC2CCCC2)c1 ZINC000020479232 171221558 /nfs/dbraw/zinc/22/15/58/171221558.db2.gz LKDOREVLRHAGMZ-UHFFFAOYSA-N 0 0 287.144 3.646 10 0 CHAERN Cc1cnn([C@H](C)C23CC4CC(CC(C4)C2)C3)c1N ZINC000020578732 171256877 /nfs/dbraw/zinc/25/68/77/171256877.db2.gz CVYMNEWXKQHMDR-UWJCENJNSA-N 0 0 259.397 3.551 10 0 CHAERN CC(C)C1N=NC(=S)N1c1cc(Cl)cc(Cl)c1 ZINC000020588832 171260412 /nfs/dbraw/zinc/26/04/12/171260412.db2.gz PUNIIITWPIRVEQ-UHFFFAOYSA-N 0 0 288.203 3.986 10 0 CHAERN Clc1nc2ccccc2cc1CNCc1ccncc1 ZINC000020967245 171282315 /nfs/dbraw/zinc/28/23/15/171282315.db2.gz GPTRTDARMMUBQX-UHFFFAOYSA-N 0 0 283.762 3.573 10 0 CHAERN Cc1ccc(O)c(NC(=O)CSCc2ccccc2)c1 ZINC000020983867 171282867 /nfs/dbraw/zinc/28/28/67/171282867.db2.gz IFFBUJHEUHLWFR-UHFFFAOYSA-N 0 0 287.384 3.573 10 0 CHAERN Fc1c(F)c(F)c(NC2CCCC2)c(F)c1F ZINC000021007747 171285317 /nfs/dbraw/zinc/28/53/17/171285317.db2.gz HKCYKGWGVRDYPG-UHFFFAOYSA-N 0 0 251.198 3.737 10 0 CHAERN COc1ccc(N[C@H]2CCCCc3ccccc32)cn1 ZINC000021013109 171288436 /nfs/dbraw/zinc/28/84/36/171288436.db2.gz UYZJALLJBDORNZ-INIZCTEOSA-N 0 0 268.360 3.970 10 0 CHAERN Cc1nn(C)c(C)c1NC(CC(C)C)CC(C)C ZINC000021018334 171290426 /nfs/dbraw/zinc/29/04/26/171290426.db2.gz LJJUEJKJHQQNQU-UHFFFAOYSA-N 0 0 251.418 3.910 10 0 CHAERN CN(CCCNc1ncccc1Cl)c1ccccc1 ZINC000021041611 171293312 /nfs/dbraw/zinc/29/33/12/171293312.db2.gz XSTRHTGRKNNSCA-UHFFFAOYSA-N 0 0 275.783 3.673 10 0 CHAERN CNc1ccccc1-c1nc(C2CCCCC2)no1 ZINC000021052720 171295177 /nfs/dbraw/zinc/29/51/77/171295177.db2.gz KEWDMKOCZHGRCJ-UHFFFAOYSA-N 0 0 257.337 3.826 10 0 CHAERN Cc1c(Cl)cc(C(=O)NCc2ccccc2)c(F)c1F ZINC000021266668 171300288 /nfs/dbraw/zinc/30/02/88/171300288.db2.gz WPTDLJZAZXJZFG-UHFFFAOYSA-N 0 0 295.716 3.857 10 0 CHAERN Cc1c(F)c(F)c(C(=O)N2CCCCC2)c(C)c1Cl ZINC000021266525 171300444 /nfs/dbraw/zinc/30/04/44/171300444.db2.gz RHWJVSUCMAVIPA-UHFFFAOYSA-N 0 0 287.737 3.861 10 0 CHAERN COc1ccc(COc2cccc(Cl)c2)cc1N ZINC000021501012 171305367 /nfs/dbraw/zinc/30/53/67/171305367.db2.gz HXHLQTHENUONNL-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1ccc(CN(C)c2ccc(N)cc2Cl)cc1 ZINC000021517291 171313609 /nfs/dbraw/zinc/31/36/09/171313609.db2.gz XXBYKAUWDUOUCH-UHFFFAOYSA-N 0 0 260.768 3.867 10 0 CHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cc(Cl)ccc1O ZINC000021517304 171313828 /nfs/dbraw/zinc/31/38/28/171313828.db2.gz QAUFZNFILNVGSZ-CWSCBRNRSA-N 0 0 281.783 3.600 10 0 CHAERN Cc1ccc(CN(C)c2ccc(Cl)cc2N)cc1 ZINC000021809275 171328717 /nfs/dbraw/zinc/32/87/17/171328717.db2.gz SZWRSUFACOCTOO-UHFFFAOYSA-N 0 0 260.768 3.867 10 0 CHAERN Nc1ccccc1C(=O)Nc1ccccc1SC(F)F ZINC000021951978 171340162 /nfs/dbraw/zinc/34/01/62/171340162.db2.gz MVBPQHVQAWECFA-UHFFFAOYSA-N 0 0 294.326 3.836 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)Nc1ccccc1 ZINC000021955255 171341088 /nfs/dbraw/zinc/34/10/88/171341088.db2.gz DYYCYYGMPXAFCT-UHFFFAOYSA-N 0 0 261.712 3.566 10 0 CHAERN Cc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1N ZINC000021953991 171341212 /nfs/dbraw/zinc/34/12/12/171341212.db2.gz LSCCUSFMKCHPBV-UHFFFAOYSA-N 0 0 268.238 3.783 10 0 CHAERN Fc1ccc(Br)cc1-c1ncccc1F ZINC000021994798 171347145 /nfs/dbraw/zinc/34/71/45/171347145.db2.gz NQIBQILAMKZKFE-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN Cc1ccc([C@@H](O)[C@H](C)C(=O)c2ccccc2)cc1 ZINC000021996851 171347574 /nfs/dbraw/zinc/34/75/74/171347574.db2.gz VMHIDNSPRCRSKI-DYVFJYSZSA-N 0 0 254.329 3.547 10 0 CHAERN O=C1c2ccccc2[C@H]2[C@@H](c3ccccc31)C2(F)F ZINC000022005828 171348748 /nfs/dbraw/zinc/34/87/48/171348748.db2.gz FDRFDJINUJIRBA-OKILXGFUSA-N 0 0 256.251 3.747 10 0 CHAERN Nc1ccc(NC(=O)Nc2ccccc2)cc1C(F)(F)F ZINC000022148500 171357732 /nfs/dbraw/zinc/35/77/32/171357732.db2.gz WTZAEQAGJUPZBE-UHFFFAOYSA-N 0 0 295.264 3.932 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1nc2sccn2c1C=O ZINC000022158711 171363276 /nfs/dbraw/zinc/36/32/76/171363276.db2.gz OVAJMECNFOOYPG-CMPLNLGQSA-N 0 0 278.377 3.556 10 0 CHAERN C[C@@H]1C[C@@H](Oc2nc3sccn3c2C=O)CC(C)(C)C1 ZINC000022158821 171363381 /nfs/dbraw/zinc/36/33/81/171363381.db2.gz VTTLRMAXMADFNJ-GHMZBOCLSA-N 0 0 292.404 3.802 10 0 CHAERN C[C@H](NC(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000026245973 171475918 /nfs/dbraw/zinc/47/59/18/171475918.db2.gz WPVMWAUPHYWKIA-LBPRGKRZSA-N 0 0 286.400 3.577 10 0 CHAERN CCOC(=O)c1oc2c(c1C)C1(CCC2)SCCS1 ZINC000026438878 171484098 /nfs/dbraw/zinc/48/40/98/171484098.db2.gz OXIMLDYZPWCEIU-UHFFFAOYSA-N 0 0 298.429 3.734 10 0 CHAERN Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1 ZINC000027182510 171509583 /nfs/dbraw/zinc/50/95/83/171509583.db2.gz QNZSQJBDZIOEAN-UHFFFAOYSA-N 0 0 291.354 3.572 10 0 CHAERN Cc1cc2occ(CC(=O)Nc3ncccc3C)c2c(C)c1 ZINC000027232890 171511501 /nfs/dbraw/zinc/51/15/01/171511501.db2.gz PRQGZBDNBIBFLT-UHFFFAOYSA-N 0 0 294.354 3.934 10 0 CHAERN Cc1cc(C)c(-c2cc3cnc(C)nc3nc2N)c(C)c1 ZINC000027303285 171511955 /nfs/dbraw/zinc/51/19/55/171511955.db2.gz OUVGFDJECIEVQE-UHFFFAOYSA-N 0 0 278.359 3.508 10 0 CHAERN O=c1nc(C2CC2)n(-c2ccc(Cl)cc2)c2ccccc12 ZINC000027637107 171525460 /nfs/dbraw/zinc/52/54/60/171525460.db2.gz KNMICHNPDCWVJI-UHFFFAOYSA-N 0 0 296.757 3.917 10 0 CHAERN CC(C)[C@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000031104616 171630865 /nfs/dbraw/zinc/63/08/65/171630865.db2.gz AVNDHZUNZRLJRV-GXFFZTMASA-N 0 0 296.411 3.706 10 0 CHAERN CC(C)CCNC(=O)c1csc(Nc2ccccc2)n1 ZINC000033280694 171776539 /nfs/dbraw/zinc/77/65/39/171776539.db2.gz ZTEXGLNQEQVMDB-UHFFFAOYSA-N 0 0 289.404 3.663 10 0 CHAERN CCCCN(CCCC)[C@H]1OC(=O)c2ccccc21 ZINC000033374231 171787290 /nfs/dbraw/zinc/78/72/90/171787290.db2.gz AWRPIBMTXCXNRN-HNNXBMFYSA-N 0 0 261.365 3.758 10 0 CHAERN CN(c1ccccc1)c1cc(Cl)nc(Cl)n1 ZINC000033618976 171815614 /nfs/dbraw/zinc/81/56/14/171815614.db2.gz QUVADLWDSDBZDK-UHFFFAOYSA-N 0 0 254.120 3.551 10 0 CHAERN O=c1oc(Cc2cccc3ccccc32)nc2ccccc21 ZINC000034493953 171841898 /nfs/dbraw/zinc/84/18/98/171841898.db2.gz BJNHYHBOMAPVAC-UHFFFAOYSA-N 0 0 287.318 3.932 10 0 CHAERN O=C(Cc1nc2ccccc2o1)c1ccc(F)cc1F ZINC000034940217 171899956 /nfs/dbraw/zinc/89/99/56/171899956.db2.gz QFBBVKIZFKWWQF-UHFFFAOYSA-N 0 0 273.238 3.531 10 0 CHAERN C[C@H]1C[C@H]1c1[nH]nc(N)c1-c1c(F)cccc1Cl ZINC000034975830 171910631 /nfs/dbraw/zinc/91/06/31/171910631.db2.gz IFHFCKNDRQLXLA-NKWVEPMBSA-N 0 0 265.719 3.575 10 0 CHAERN C[C@@H](C(=O)c1cccc(Cl)c1)N1CCCCCC1 ZINC000035020338 171938282 /nfs/dbraw/zinc/93/82/82/171938282.db2.gz XUWKLAUJNURQST-LBPRGKRZSA-N 0 0 265.784 3.787 10 0 CHAERN C[C@H]1Cc2ccccc2N1CC(=O)c1ccc(F)cc1F ZINC000035020222 171938465 /nfs/dbraw/zinc/93/84/65/171938465.db2.gz IJWBBTPUDOZQBV-NSHDSACASA-N 0 0 287.309 3.599 10 0 CHAERN Cc1ccc(C(=O)CN2c3ccccc3C[C@@H]2C)cc1 ZINC000035020167 171938601 /nfs/dbraw/zinc/93/86/01/171938601.db2.gz LQFGDOCUCKJUMQ-AWEZNQCLSA-N 0 0 265.356 3.629 10 0 CHAERN Nc1c2ncsc2ccc1Nc1cccc(F)c1 ZINC000035060742 171962115 /nfs/dbraw/zinc/96/21/15/171962115.db2.gz XEFPRGYBBVWYHV-UHFFFAOYSA-N 0 0 259.309 3.761 10 0 CHAERN CCN(CC)C(=O)c1cc(NC2CCC(C)CC2)ccn1 ZINC000035121371 171991145 /nfs/dbraw/zinc/99/11/45/171991145.db2.gz IRSGNFGQMFTVPF-UHFFFAOYSA-N 0 0 289.423 3.554 10 0 CHAERN O=C(Nc1ccccc1F)c1c[nH]c2ccccc12 ZINC000035134606 172001756 /nfs/dbraw/zinc/00/17/56/172001756.db2.gz HOCWBTYTBQSOAN-UHFFFAOYSA-N 0 0 254.264 3.559 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035161490 172021232 /nfs/dbraw/zinc/02/12/32/172021232.db2.gz RAOSJMZXOCPNQJ-SUMWQHHRSA-N 0 0 282.387 3.963 10 0 CHAERN Cc1cc(C)cc(OCC(=O)c2ccccc2F)c1 ZINC000035182407 172035899 /nfs/dbraw/zinc/03/58/99/172035899.db2.gz COZHSYPCOOEHDR-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccccc2)cc1C ZINC000035182312 172036199 /nfs/dbraw/zinc/03/61/99/172036199.db2.gz PJFZMRVZRCRSNE-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN CC[C@@H](C)S[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000035182625 172036287 /nfs/dbraw/zinc/03/62/87/172036287.db2.gz URJMJBOUXIPVIC-MNOVXSKESA-N 0 0 252.379 3.798 10 0 CHAERN COc1ccc(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000035182390 172036300 /nfs/dbraw/zinc/03/63/00/172036300.db2.gz WRVZJEDXPBAXIQ-CQSZACIVSA-N 0 0 284.355 3.962 10 0 CHAERN CCCCSCc1cc(C(C)=O)ccc1OC ZINC000035183506 172036584 /nfs/dbraw/zinc/03/65/84/172036584.db2.gz SCVGVYXTWUBLDY-UHFFFAOYSA-N 0 0 252.379 3.931 10 0 CHAERN Cc1ccccc1O[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035183785 172037162 /nfs/dbraw/zinc/03/71/62/172037162.db2.gz RULJLSSHZMQTAM-NSHDSACASA-N 0 0 276.282 3.923 10 0 CHAERN O=C(COc1ccccc1)c1cccc(Br)c1 ZINC000035183929 172037190 /nfs/dbraw/zinc/03/71/90/172037190.db2.gz BHVSIVVMWSBDCR-UHFFFAOYSA-N 0 0 291.144 3.711 10 0 CHAERN C[C@H](Oc1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000035183861 172037322 /nfs/dbraw/zinc/03/73/22/172037322.db2.gz WBLLXZCTCYMRCP-JTQLQIEISA-N 0 0 262.255 3.615 10 0 CHAERN C[C@H](Oc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000035183853 172037395 /nfs/dbraw/zinc/03/73/95/172037395.db2.gz SMSZLSCFRIWIKL-VIFPVBQESA-N 0 0 280.245 3.754 10 0 CHAERN O=C(COc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000035183866 172037466 /nfs/dbraw/zinc/03/74/66/172037466.db2.gz NWGXQYIKUCDXHZ-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1ccccc1OCC(=O)c1ccccc1Cl ZINC000035183763 172037494 /nfs/dbraw/zinc/03/74/94/172037494.db2.gz ZWYOTCIOLKMQPH-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(C)cc2C)c1 ZINC000035183723 172037643 /nfs/dbraw/zinc/03/76/43/172037643.db2.gz NCXQTKWKQVMBEO-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN COc1ccc(OCC(=O)c2cc(C)ccc2C)cc1 ZINC000035184161 172038192 /nfs/dbraw/zinc/03/81/92/172038192.db2.gz DYVYWAZQYCDZBS-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN COC(=O)[C@@H](N[C@H](CC(C)C)c1ccccc1)C(C)C ZINC000035185741 172040024 /nfs/dbraw/zinc/04/00/24/172040024.db2.gz WBZTZRRWXUCDDM-CVEARBPZSA-N 0 0 277.408 3.561 10 0 CHAERN Clc1nsnc1Sc1ccc(Cl)cc1 ZINC000035232145 172072042 /nfs/dbraw/zinc/07/20/42/172072042.db2.gz HDFFGJJYCOGPMB-UHFFFAOYSA-N 0 0 263.174 3.996 10 0 CHAERN CC(C)Cn1nc(-c2ccc(Br)cc2)cc1N ZINC000035277001 172096342 /nfs/dbraw/zinc/09/63/42/172096342.db2.gz APEKEEYVSMBKEB-UHFFFAOYSA-N 0 0 294.196 3.551 10 0 CHAERN CC(C)(C)n1nc(-c2cccc(Br)c2)cc1N ZINC000035277061 172097023 /nfs/dbraw/zinc/09/70/23/172097023.db2.gz UVWBFBKHTYVLDJ-UHFFFAOYSA-N 0 0 294.196 3.650 10 0 CHAERN Oc1ccc2c(c1)OC[C@H]2Nc1cc(Cl)ccc1F ZINC000035284191 172102360 /nfs/dbraw/zinc/10/23/60/172102360.db2.gz MIFVKSDAQNKJRR-CYBMUJFWSA-N 0 0 279.698 3.730 10 0 CHAERN Nc1ccc2nc(Nc3ccc(F)cc3)ccc2c1 ZINC000035343594 172135733 /nfs/dbraw/zinc/13/57/33/172135733.db2.gz ZXSABNHEZHDQPO-UHFFFAOYSA-N 0 0 253.280 3.700 10 0 CHAERN Nc1c2ncsc2ccc1Nc1cc(F)cc(F)c1 ZINC000035344529 172136672 /nfs/dbraw/zinc/13/66/72/172136672.db2.gz SGEJOCCNHSZDKA-UHFFFAOYSA-N 0 0 277.299 3.900 10 0 CHAERN CC(C)C[C@H](C)Oc1ccc2scnc2c1N ZINC000035344897 172136922 /nfs/dbraw/zinc/13/69/22/172136922.db2.gz NXWZIAZWQQUSRL-VIFPVBQESA-N 0 0 250.367 3.692 10 0 CHAERN Cc1ccc(C(=O)c2ccc3c(c2)C[C@H](C)O3)s1 ZINC000035379405 172161977 /nfs/dbraw/zinc/16/19/77/172161977.db2.gz CRTUTOYZEZKYPD-VIFPVBQESA-N 0 0 258.342 3.611 10 0 CHAERN COc1ccc(C(=O)c2ccc(Cl)cc2F)cc1F ZINC000035423919 172192649 /nfs/dbraw/zinc/19/26/49/172192649.db2.gz WBPIQMJLQBXBRT-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN Cc1cc(C)cc(Oc2nc3sccn3c2C=O)c1 ZINC000035428556 172196590 /nfs/dbraw/zinc/19/65/90/172196590.db2.gz RNIRELPRQAATOX-UHFFFAOYSA-N 0 0 272.329 3.617 10 0 CHAERN O=Cc1c(Oc2ccc(Cl)cc2)nc2sccn12 ZINC000035428551 172196976 /nfs/dbraw/zinc/19/69/76/172196976.db2.gz MVGHGVDWBMSNLV-UHFFFAOYSA-N 0 0 278.720 3.654 10 0 CHAERN CN[C@H](c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000035464094 172212198 /nfs/dbraw/zinc/21/21/98/172212198.db2.gz LJZQFLDRXNQESA-MRVPVSSYSA-N 0 0 273.632 3.798 10 0 CHAERN CN[C@@H](c1cc(F)ccc1F)c1c(F)cccc1F ZINC000035468718 172218621 /nfs/dbraw/zinc/21/86/21/172218621.db2.gz TYXCODZHYPZZFV-AWEZNQCLSA-N 0 0 269.241 3.552 10 0 CHAERN CN[C@H](c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000035469563 172220639 /nfs/dbraw/zinc/22/06/39/172220639.db2.gz YTHJQEWMFSTKCG-CQSZACIVSA-N 0 0 269.241 3.552 10 0 CHAERN Nc1cccc(-c2nc(-c3ccc(F)cc3)co2)c1 ZINC000035512189 172243033 /nfs/dbraw/zinc/24/30/33/172243033.db2.gz AAKJSUCRJAPIOF-UHFFFAOYSA-N 0 0 254.264 3.730 10 0 CHAERN CCCN[C@H](c1ccc(OC)c(Cl)c1)C(F)(F)F ZINC000035573880 172270620 /nfs/dbraw/zinc/27/06/20/172270620.db2.gz BUXWMXQRVKCPDW-LLVKDONJSA-N 0 0 281.705 3.952 10 0 CHAERN Cc1ccc(OCc2cccc(F)c2)c([C@@H](C)O)c1 ZINC000035630254 172311441 /nfs/dbraw/zinc/31/14/41/172311441.db2.gz CMABYCMZOMVHKW-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN Cc1c2cc(C)ccc2oc1C(=O)c1cccnc1 ZINC000035630480 172311770 /nfs/dbraw/zinc/31/17/70/172311770.db2.gz YKVJZVNBNHWNQS-UHFFFAOYSA-N 0 0 251.285 3.676 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N(C)Cc1ccccc1 ZINC000035631202 172313336 /nfs/dbraw/zinc/31/33/36/172313336.db2.gz FTULMRUCZDJUGN-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN Cc1ccc(CN(C)c2ccc([C@H](C)O)cc2)cc1 ZINC000035631497 172313703 /nfs/dbraw/zinc/31/37/03/172313703.db2.gz WBRJDJBRTQPIQA-AWEZNQCLSA-N 0 0 255.361 3.685 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N1CCCCCCC1 ZINC000035631503 172313778 /nfs/dbraw/zinc/31/37/78/172313778.db2.gz MFHVBKFAAOVKRB-GFCCVEGCSA-N 0 0 251.345 3.650 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(F)cc1F ZINC000035632011 172314222 /nfs/dbraw/zinc/31/42/22/172314222.db2.gz KQFJNAJZEJPMJT-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN COc1cc(C)ccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035631874 172314387 /nfs/dbraw/zinc/31/43/87/172314387.db2.gz KDBIBBXBQXQLAJ-LLVKDONJSA-N 0 0 276.307 3.988 10 0 CHAERN C[C@@H](Nc1nccc2sccc21)c1ccncc1 ZINC000035693723 172362018 /nfs/dbraw/zinc/36/20/18/172362018.db2.gz AJROQJVBORLARJ-SNVBAGLBSA-N 0 0 255.346 3.864 10 0 CHAERN CN(Cc1ccsc1)c1ccc(N)c(C(F)(F)F)c1 ZINC000035718720 172373608 /nfs/dbraw/zinc/37/36/08/172373608.db2.gz IOJSMPIWQMTPQL-UHFFFAOYSA-N 0 0 286.322 3.986 10 0 CHAERN C[C@H](Nc1ccnc2cc(Cl)ccc21)[C@H]1CCCO1 ZINC000035736205 172389163 /nfs/dbraw/zinc/38/91/63/172389163.db2.gz CMUMDHCDYVYCCW-ZUZCIYMTSA-N 0 0 276.767 3.868 10 0 CHAERN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738807 172392406 /nfs/dbraw/zinc/39/24/06/172392406.db2.gz DOLCZTXHBZTWRN-VHSXEESVSA-N 0 0 251.276 3.970 10 0 CHAERN C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748219 172395407 /nfs/dbraw/zinc/39/54/07/172395407.db2.gz IKOHPMJQUFBXBF-SFYZADRCSA-N 0 0 276.163 3.507 10 0 CHAERN CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000036113782 172444619 /nfs/dbraw/zinc/44/46/19/172444619.db2.gz PMJREVYWWYSAKD-SFHVURJKSA-N 0 0 283.346 3.710 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)NCc1ccc(F)cc1 ZINC000036172202 172491374 /nfs/dbraw/zinc/49/13/74/172491374.db2.gz HMHWHXZQLKAHMU-ACCUITESSA-N 0 0 269.319 3.545 10 0 CHAERN Cc1ccc(Nc2nccc(C)c2N)cc1Br ZINC000036251176 172545642 /nfs/dbraw/zinc/54/56/42/172545642.db2.gz PWJBYOAWRCXXIP-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN Cc1ccc(C(=O)COc2ccc(F)c(F)c2)s1 ZINC000036324684 172609355 /nfs/dbraw/zinc/60/93/55/172609355.db2.gz CULMPLMKNDASCX-UHFFFAOYSA-N 0 0 268.284 3.596 10 0 CHAERN Clc1ncc(C(Cl)(Cl)Cl)c(Cl)n1 ZINC000036468831 172637280 /nfs/dbraw/zinc/63/72/80/172637280.db2.gz ATGNCJJTENOVMC-UHFFFAOYSA-N 0 0 266.342 3.610 10 0 CHAERN Cc1n[nH]c(C)c1NCc1ccc(F)c(Br)c1 ZINC000036734784 172665963 /nfs/dbraw/zinc/66/59/63/172665963.db2.gz FSAQSNKBXXCDJW-UHFFFAOYSA-N 0 0 298.159 3.540 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cncc(Cl)n1 ZINC000036858525 172757733 /nfs/dbraw/zinc/75/77/33/172757733.db2.gz NLISVPPENUJPTC-GRYCIOLGSA-N 0 0 268.788 3.970 10 0 CHAERN Nc1nc2cc(Cl)ccc2n1-c1ccc(F)cc1F ZINC000036889843 172784378 /nfs/dbraw/zinc/78/43/78/172784378.db2.gz KZZJSWCLKLZRTA-UHFFFAOYSA-N 0 0 279.677 3.539 10 0 CHAERN COc1ccc(Cl)cc1-c1c(N)onc1C(C)C ZINC000036937324 172816096 /nfs/dbraw/zinc/81/60/96/172816096.db2.gz RWVDUFYCJVSYBJ-UHFFFAOYSA-N 0 0 266.728 3.709 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1SC[C@H]1CCCCO1 ZINC000037037667 172904799 /nfs/dbraw/zinc/90/47/99/172904799.db2.gz SHCRPLRQRGGMLQ-SNVBAGLBSA-N 0 0 291.338 3.949 10 0 CHAERN Cc1cccc2c1OCCC[C@H]2Nc1cccnc1 ZINC000037187218 173017471 /nfs/dbraw/zinc/01/74/71/173017471.db2.gz GOAPPZHBNVUUAM-OAHLLOKOSA-N 0 0 254.333 3.716 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)c2scnc2C)cc1 ZINC000037187617 173018480 /nfs/dbraw/zinc/01/84/80/173018480.db2.gz QGIQLSRFZJLNED-SNVBAGLBSA-N 0 0 275.377 3.583 10 0 CHAERN Cc1ccc2sc(NCc3cccnc3)nc2c1 ZINC000037206812 173027298 /nfs/dbraw/zinc/02/72/98/173027298.db2.gz OSQCSCVLBHIZHG-UHFFFAOYSA-N 0 0 255.346 3.612 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OC(=O)Nc1cccc(N)c1 ZINC000037222858 173043109 /nfs/dbraw/zinc/04/31/09/173043109.db2.gz HMORICIOOHQGAW-BXUZGUMPSA-N 0 0 262.353 3.786 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OC(=O)Nc1cccc(N)c1 ZINC000037222856 173043255 /nfs/dbraw/zinc/04/32/55/173043255.db2.gz HMORICIOOHQGAW-RISCZKNCSA-N 0 0 262.353 3.786 10 0 CHAERN Nc1cc(-c2cccs2)nn1-c1ccc(Cl)cc1 ZINC000037291233 173096871 /nfs/dbraw/zinc/09/68/71/173096871.db2.gz MVKHBPZJCYPPPX-UHFFFAOYSA-N 0 0 275.764 3.836 10 0 CHAERN COc1ncccc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037301349 173107474 /nfs/dbraw/zinc/10/74/74/173107474.db2.gz LKQVIFIXRQRINP-MCIONIFRSA-N 0 0 260.381 3.861 10 0 CHAERN CC[C@@H](Nc1cnc(-c2ccccc2)nc1)C(C)C ZINC000037302829 173107914 /nfs/dbraw/zinc/10/79/14/173107914.db2.gz POKLQEDGPSIVPP-OAHLLOKOSA-N 0 0 255.365 3.990 10 0 CHAERN Cc1cc(C)n([C@@H](C)C(=O)c2cc(C)ccc2C)n1 ZINC000037340691 173142583 /nfs/dbraw/zinc/14/25/83/173142583.db2.gz MKSYGYXNEAKPIL-AWEZNQCLSA-N 0 0 256.349 3.561 10 0 CHAERN Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1C ZINC000037352331 173145135 /nfs/dbraw/zinc/14/51/35/173145135.db2.gz IICXOCBSWKOAKU-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN C[NH+](C)C1(C(=O)[O-])CCCCCCCCCCC1 ZINC000037357828 173147371 /nfs/dbraw/zinc/14/73/71/173147371.db2.gz CVSJMDMIZGNNPH-UHFFFAOYSA-N 0 0 255.402 3.676 10 0 CHAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)CCO2 ZINC000037358704 173148339 /nfs/dbraw/zinc/14/83/39/173148339.db2.gz OAHPYRFPQNMITH-ZOWXZIJZSA-N 0 0 256.345 3.631 10 0 CHAERN O=Cc1cn(-c2ccccc2)nc1C1CCCCC1 ZINC000037367192 173156690 /nfs/dbraw/zinc/15/66/90/173156690.db2.gz YFKKAQWJGAMDGF-UHFFFAOYSA-N 0 0 254.333 3.733 10 0 CHAERN Cc1nn(C)c(Cl)c1COc1ccc(C)cc1C ZINC000037408822 173185166 /nfs/dbraw/zinc/18/51/66/173185166.db2.gz XQJLRZJGVLAQLR-UHFFFAOYSA-N 0 0 264.756 3.578 10 0 CHAERN Cc1c2ccccc2sc1[C@H](C)[NH2+]CCCC(=O)[O-] ZINC000037417913 173195590 /nfs/dbraw/zinc/19/55/90/173195590.db2.gz QRUCRTJTCCPMKW-NSHDSACASA-N 0 0 277.389 3.725 10 0 CHAERN Nc1cc(-c2nc3c(cccc3F)[nH]2)ccc1Cl ZINC000037442315 173211106 /nfs/dbraw/zinc/21/11/06/173211106.db2.gz LGSJRYLNTDWTIY-UHFFFAOYSA-N 0 0 261.687 3.605 10 0 CHAERN C[C@](O)(c1cccc(F)c1)c1cccc(Cl)c1 ZINC000037529230 173252789 /nfs/dbraw/zinc/25/27/89/173252789.db2.gz CDFDEJOIMUHMPD-CQSZACIVSA-N 0 0 250.700 3.735 10 0 CHAERN COc1ccc([C@@H](O)Cc2ccccc2Cl)cc1 ZINC000037532043 173253479 /nfs/dbraw/zinc/25/34/79/173253479.db2.gz CNFZYXQODZLITJ-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN Cc1cc(C)cc([C@H](O)CCOc2ccccc2)c1 ZINC000037746008 173668368 /nfs/dbraw/zinc/66/83/68/173668368.db2.gz YIGXUBZMPIGBFL-QGZVFWFLSA-N 0 0 256.345 3.806 10 0 CHAERN CCC[C@H](C)N(C)c1ccc(N)cc1C(F)(F)F ZINC000037754610 173678069 /nfs/dbraw/zinc/67/80/69/173678069.db2.gz LIEGUZDROSAVOM-VIFPVBQESA-N 0 0 260.303 3.912 10 0 CHAERN CCNC(=O)c1ccc(N[C@@H](C)[C@H](C)CC)c(C)c1 ZINC000037780000 173710141 /nfs/dbraw/zinc/71/01/41/173710141.db2.gz ZVOQFXZBJKQEII-YPMHNXCESA-N 0 0 262.397 3.591 10 0 CHAERN CCCC(CCC)(Nc1ccccc1C)C(=O)OC ZINC000037954664 173896421 /nfs/dbraw/zinc/89/64/21/173896421.db2.gz NBKZIBDLBWABTP-UHFFFAOYSA-N 0 0 263.381 3.919 10 0 CHAERN Cc1ccc(CN(C)C(=O)c2cc(Cl)ccn2)c(C)c1 ZINC000037977059 173933213 /nfs/dbraw/zinc/93/32/13/173933213.db2.gz FUWWXUWEOIQFFE-UHFFFAOYSA-N 0 0 288.778 3.624 10 0 CHAERN Cc1ccc(CN(C(=O)c2ccccc2F)C2CC2)cc1 ZINC000037983781 173945110 /nfs/dbraw/zinc/94/51/10/173945110.db2.gz HDOHWVBWRVAEPE-UHFFFAOYSA-N 0 0 283.346 3.939 10 0 CHAERN Nc1cc(F)c(Sc2ccc(F)c(F)c2)c(F)c1 ZINC000038040437 174040344 /nfs/dbraw/zinc/04/03/44/174040344.db2.gz HTMBWVTWWFTHJH-UHFFFAOYSA-N 0 0 273.254 3.976 10 0 CHAERN Nc1cc(F)c(Nc2c(F)cccc2F)c(F)c1 ZINC000038040031 174040388 /nfs/dbraw/zinc/04/03/88/174040388.db2.gz WRHHHPSFARYHTG-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN CCc1ccc(CN(C)c2c(F)cc(N)cc2F)cc1 ZINC000038040175 174040578 /nfs/dbraw/zinc/04/05/78/174040578.db2.gz IYYKTRDTPJJMKI-UHFFFAOYSA-N 0 0 276.330 3.746 10 0 CHAERN C[C@H](C(=O)c1ccc(Cl)cc1)n1cc(Cl)cn1 ZINC000038053765 174065209 /nfs/dbraw/zinc/06/52/09/174065209.db2.gz GSQUDCZJLUOUOR-MRVPVSSYSA-N 0 0 269.131 3.634 10 0 CHAERN Clc1cccnc1Oc1cccc2c1NCCC2 ZINC000038068050 174079874 /nfs/dbraw/zinc/07/98/74/174079874.db2.gz PTLRQOXYUPSTOE-UHFFFAOYSA-N 0 0 260.724 3.885 10 0 CHAERN CCOc1ccc(-c2ccccc2N)cc1OCC ZINC000038069095 174081118 /nfs/dbraw/zinc/08/11/18/174081118.db2.gz SYEXBGPSAWBFFP-UHFFFAOYSA-N 0 0 257.333 3.733 10 0 CHAERN C[C@@H]1Cc2cc(-c3ccc(C=O)c(F)c3)ccc2O1 ZINC000038071925 174082738 /nfs/dbraw/zinc/08/27/38/174082738.db2.gz POPWJSAHMNJUNS-SNVBAGLBSA-N 0 0 256.276 3.629 10 0 CHAERN O=C1CCCOc2c(Br)c3ccccc3cc21 ZINC000038077565 174088199 /nfs/dbraw/zinc/08/81/99/174088199.db2.gz TVXKBZLEDJBDOW-UHFFFAOYSA-N 0 0 291.144 3.958 10 0 CHAERN CCOc1cccc([C@H](O)c2ccccc2Cl)c1 ZINC000038078381 174088643 /nfs/dbraw/zinc/08/86/43/174088643.db2.gz VRHDUOQSINPBRX-HNNXBMFYSA-N 0 0 262.736 3.820 10 0 CHAERN Cc1ccc([C@H](O)c2ccccc2Cl)cc1F ZINC000038078425 174088824 /nfs/dbraw/zinc/08/88/24/174088824.db2.gz BYKJYCQAQDFASW-AWEZNQCLSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1nnc(Sc2ccc(O)cc2)c2ccccc12 ZINC000038079198 174089532 /nfs/dbraw/zinc/08/95/32/174089532.db2.gz CYLZYZATALUZML-UHFFFAOYSA-N 0 0 268.341 3.795 10 0 CHAERN COC(=O)c1sc(Oc2cccc(C)c2C)nc1Cl ZINC000038082252 174091020 /nfs/dbraw/zinc/09/10/20/174091020.db2.gz ZECFUTYFIULFFZ-UHFFFAOYSA-N 0 0 297.763 3.992 10 0 CHAERN FC(F)(F)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082195 174091058 /nfs/dbraw/zinc/09/10/58/174091058.db2.gz JWPNWKGRHPKOPF-UHFFFAOYSA-N 0 0 274.629 3.941 10 0 CHAERN CCOC(=O)c1cc(Cc2ccccc2Cl)sc1N ZINC000038341459 174140381 /nfs/dbraw/zinc/14/03/81/174140381.db2.gz XWKBRHKQLLUKQZ-UHFFFAOYSA-N 0 0 295.791 3.751 10 0 CHAERN COC1=Cc2ccccc2N(C(C)=O)c2ccccc21 ZINC000038438217 174141515 /nfs/dbraw/zinc/14/15/15/174141515.db2.gz RBGWLODVRLTOMM-UHFFFAOYSA-N 0 0 265.312 3.829 10 0 CHAERN C[C@@]12CCC3(C=C1CCCC2=O)SCCS3 ZINC000038599523 174149036 /nfs/dbraw/zinc/14/90/36/174149036.db2.gz CFIOUOSEKMDARN-GFCCVEGCSA-N 0 0 254.420 3.642 10 0 CHAERN O=C(Cc1ccccc1)c1cc(Br)ccc1O ZINC000038888329 174158721 /nfs/dbraw/zinc/15/87/21/174158721.db2.gz GVURCXUQMQBAFD-UHFFFAOYSA-N 0 0 291.144 3.580 10 0 CHAERN Clc1ccc(-c2ncc(Br)cn2)cc1 ZINC000039121262 174162950 /nfs/dbraw/zinc/16/29/50/174162950.db2.gz KXPSCRRPUXNJND-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN O=C(c1ccccc1Cl)n1ccc2ccccc21 ZINC000039233606 174166950 /nfs/dbraw/zinc/16/69/50/174166950.db2.gz RUFNJXIAAORVFT-UHFFFAOYSA-N 0 0 255.704 3.983 10 0 CHAERN O[C@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000040243715 174214151 /nfs/dbraw/zinc/21/41/51/174214151.db2.gz HTDFXEFSHBUGEA-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN Cc1nc2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2[nH]1 ZINC000040311856 174231263 /nfs/dbraw/zinc/23/12/63/174231263.db2.gz WJPLPSDPTRMGPH-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN CCOCCCn1c(C)nc2cc(C(F)(F)F)ccc21 ZINC000040403035 174253884 /nfs/dbraw/zinc/25/38/84/174253884.db2.gz MZQMPUONQHJVFK-UHFFFAOYSA-N 0 0 286.297 3.790 10 0 CHAERN CCOCCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040405037 174254071 /nfs/dbraw/zinc/25/40/71/174254071.db2.gz BQONTBOOEQGGDR-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN CCOCCn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040405262 174254151 /nfs/dbraw/zinc/25/41/51/174254151.db2.gz DTXKZXBBEUDHRR-UHFFFAOYSA-N 0 0 290.750 3.986 10 0 CHAERN CCOc1cc(Cl)c([C@H](O)CC)cc1OCC ZINC000040451697 174266172 /nfs/dbraw/zinc/26/61/72/174266172.db2.gz JNBOKKMDYVXORG-LLVKDONJSA-N 0 0 258.745 3.581 10 0 CHAERN Cc1cccc(-c2csc(CC(=O)NC(C)(C)C)n2)c1 ZINC000040455823 174267082 /nfs/dbraw/zinc/26/70/82/174267082.db2.gz SJENKAVXXWVWFS-UHFFFAOYSA-N 0 0 288.416 3.576 10 0 CHAERN COc1sc(C2CCCC2)nc1Br ZINC000040544445 174324334 /nfs/dbraw/zinc/32/43/34/174324334.db2.gz ROPZXKVSGATERM-UHFFFAOYSA-N 0 0 262.172 3.572 10 0 CHAERN Cc1cc(Cl)ccc1Nc1ncnc(OC(C)C)c1N ZINC000040703391 174379081 /nfs/dbraw/zinc/37/90/81/174379081.db2.gz LAOOOPHDAKRUPI-UHFFFAOYSA-N 0 0 292.770 3.551 10 0 CHAERN Nc1c(NC2CCCCC2)ncnc1OC1CCCCC1 ZINC000040708787 174379952 /nfs/dbraw/zinc/37/99/52/174379952.db2.gz NELJNMJQMNHCBC-UHFFFAOYSA-N 0 0 290.411 3.515 10 0 CHAERN CN(c1ccccc1)c1ncnc(Nc2ccccc2)c1N ZINC000040757733 174396000 /nfs/dbraw/zinc/39/60/00/174396000.db2.gz DZJYVCXVZYXBPD-UHFFFAOYSA-N 0 0 291.358 3.570 10 0 CHAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccccc1F ZINC000040759146 174396924 /nfs/dbraw/zinc/39/69/24/174396924.db2.gz ITAFITJEJBLTCN-UHFFFAOYSA-N 0 0 295.321 3.685 10 0 CHAERN CCOc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N ZINC000040795684 174407949 /nfs/dbraw/zinc/40/79/49/174407949.db2.gz RGVMFSXVPUQTLF-UHFFFAOYSA-N 0 0 293.754 3.520 10 0 CHAERN CCCCOc1ccc(/C=C/C(=O)NCC(C)C)cc1 ZINC000040865955 174426446 /nfs/dbraw/zinc/42/64/46/174426446.db2.gz DCDLCYKKMPQRCZ-DHZHZOJOSA-N 0 0 275.392 3.651 10 0 CHAERN COc1cccc(-c2c(N)onc2-c2ccc(F)cc2)c1 ZINC000040908024 174431265 /nfs/dbraw/zinc/43/12/65/174431265.db2.gz KICYQIABLZJOHS-UHFFFAOYSA-N 0 0 284.290 3.739 10 0 CHAERN O=C(Nc1ccnc2c(Cl)cccc12)c1ccccn1 ZINC000041057540 174465299 /nfs/dbraw/zinc/46/52/99/174465299.db2.gz ITKJBQINPVCIFW-UHFFFAOYSA-N 0 0 283.718 3.536 10 0 CHAERN Cc1ccc(-c2nnc(-c3ccccc3N)s2)cc1 ZINC000041166473 174504589 /nfs/dbraw/zinc/50/45/89/174504589.db2.gz JTLAJQYGWUITTM-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN OC[C@@H](Cc1c(F)cccc1Cl)c1ccccc1 ZINC000041379685 174538557 /nfs/dbraw/zinc/53/85/57/174538557.db2.gz FTKSQUZDQZKCFJ-GFCCVEGCSA-N 0 0 264.727 3.798 10 0 CHAERN O=C(CCCc1cccc(Br)c1)C1CC1 ZINC000041384408 174541628 /nfs/dbraw/zinc/54/16/28/174541628.db2.gz LTCNLFKOIITSEA-UHFFFAOYSA-N 0 0 267.166 3.751 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1c(F)cccc1Cl ZINC000041388500 174543292 /nfs/dbraw/zinc/54/32/92/174543292.db2.gz VDCZFHUUZOIXHS-ZDUSSCGKSA-N 0 0 268.690 3.894 10 0 CHAERN O=c1c2cc(Cl)cc(Cl)c2[nH]c2c1CCCC2 ZINC000042403912 174711251 /nfs/dbraw/zinc/71/12/51/174711251.db2.gz TYKITDGQTAEBPZ-UHFFFAOYSA-N 0 0 268.143 3.714 10 0 CHAERN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000042551105 174790223 /nfs/dbraw/zinc/79/02/23/174790223.db2.gz NDBKDCOQVBMKQU-HTQZYQBOSA-N 0 0 289.206 3.740 10 0 CHAERN CC[C@@H](C(C)C)N1C(=S)N=NC1c1cccs1 ZINC000042591631 174812013 /nfs/dbraw/zinc/81/20/13/174812013.db2.gz IAQBFARHUHHJTA-VIFPVBQESA-N 0 0 267.423 3.902 10 0 CHAERN CC(C)N(Cc1ccc(Cl)nc1)CC(F)(F)F ZINC000042763868 174867949 /nfs/dbraw/zinc/86/79/49/174867949.db2.gz JDDBCQVMLJGSLK-UHFFFAOYSA-N 0 0 266.694 3.508 10 0 CHAERN CC[C@H](CCOc1ccc(Br)cc1)[C@H](C)O ZINC000043657229 175085879 /nfs/dbraw/zinc/08/58/79/175085879.db2.gz WISSJHAYUAHHSI-WDEREUQCSA-N 0 0 287.197 3.625 10 0 CHAERN Cc1nc(Nc2cccc(C)c2)sc1-c1ccnc(N)n1 ZINC000043796817 175105701 /nfs/dbraw/zinc/10/57/01/175105701.db2.gz ZCJXJOOMPCZBLW-UHFFFAOYSA-N 0 0 297.387 3.543 10 0 CHAERN Fc1cccc(-c2cccc(Br)n2)c1 ZINC000044120195 175142955 /nfs/dbraw/zinc/14/29/55/175142955.db2.gz CTMCBIFWNOVJTM-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN CCC[C@@H](O)CCc1sccc1Br ZINC000044471026 175177826 /nfs/dbraw/zinc/17/78/26/175177826.db2.gz VSJDCMCGNGAXBE-MRVPVSSYSA-N 0 0 263.200 3.604 10 0 CHAERN CCc1cc(OCC(=O)c2ccn(C)c2)ccc1Cl ZINC000047819628 175413579 /nfs/dbraw/zinc/41/35/79/175413579.db2.gz YUNSXRUXZJYFDC-UHFFFAOYSA-N 0 0 277.751 3.503 10 0 CHAERN C/C=C/c1ccc(OCC(=O)C(C)(C)C)c(OC)c1 ZINC000048404023 175432240 /nfs/dbraw/zinc/43/22/40/175432240.db2.gz RBVVBFPFHMZIKS-VOTSOKGWSA-N 0 0 262.349 3.722 10 0 CHAERN Cc1ccc(/C=C2\Oc3ccccc3NC2=O)cc1C ZINC000049453142 175478851 /nfs/dbraw/zinc/47/88/51/175478851.db2.gz PIMPJKSEVXUCBS-YBEGLDIGSA-N 0 0 265.312 3.675 10 0 CHAERN Clc1ccc(OCc2nc3c(c(Cl)n2)CCC3)cc1 ZINC000057328534 175592314 /nfs/dbraw/zinc/59/23/14/175592314.db2.gz NZNXWRLMKKMBJX-UHFFFAOYSA-N 0 0 295.169 3.851 10 0 CHAERN C[C@H]1CCC[C@H]1Nc1cc(Cl)ccc1C(N)=S ZINC000071209596 176082016 /nfs/dbraw/zinc/08/20/16/176082016.db2.gz NZXHMIZEFDUMAA-GZMMTYOYSA-N 0 0 268.813 3.575 10 0 CHAERN CCc1ccc(COc2ccc(C)cc2CO)cc1 ZINC000071409654 176156820 /nfs/dbraw/zinc/15/68/20/176156820.db2.gz VTBKCVHVCYXADV-UHFFFAOYSA-N 0 0 256.345 3.629 10 0 CHAERN Brc1ccc([C@@H]2CCCOCC2)cc1 ZINC000071491521 176190674 /nfs/dbraw/zinc/19/06/74/176190674.db2.gz BELWHZBGUAKPIV-SNVBAGLBSA-N 0 0 255.155 3.733 10 0 CHAERN CCc1ccc2c(c1)c(Br)c(C)n2C ZINC000071494959 176191657 /nfs/dbraw/zinc/19/16/57/176191657.db2.gz ZTIQZIMNZJDRTL-UHFFFAOYSA-N 0 0 252.155 3.812 10 0 CHAERN CCOC(Cc1ccc(C(F)(F)F)cc1)OCC ZINC000071790397 176263081 /nfs/dbraw/zinc/26/30/81/176263081.db2.gz RHMVQUATMWELGP-UHFFFAOYSA-N 0 0 262.271 3.647 10 0 CHAERN COc1ccc2c(c1)[C@H](Cc1ccccc1)C(=O)CC2 ZINC000071863853 176280654 /nfs/dbraw/zinc/28/06/54/176280654.db2.gz SBPRZKDJWZOZNO-KRWDZBQOSA-N 0 0 266.340 3.537 10 0 CHAERN Clc1ccccc1-n1nccc1-c1ccccn1 ZINC000072190537 176336168 /nfs/dbraw/zinc/33/61/68/176336168.db2.gz MNAIGQZLCGPRTK-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Brc1nc(-c2ccoc2)nc2ccccc12 ZINC000072192241 176336556 /nfs/dbraw/zinc/33/65/56/176336556.db2.gz JYBVEVAUIYOCPO-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN Brc1cnc(C2CCC2)cc1Br ZINC000072193324 176336720 /nfs/dbraw/zinc/33/67/20/176336720.db2.gz RLCNBLYTUKQXIK-UHFFFAOYSA-N 0 0 290.986 3.874 10 0 CHAERN Cc1cc(Br)c2[nH]ccc(=S)c2c1 ZINC000072237391 176346210 /nfs/dbraw/zinc/34/62/10/176346210.db2.gz CQVKQHPJPANADT-UHFFFAOYSA-N 0 0 254.152 3.968 10 0 CHAERN Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@@H](C)CN2 ZINC000072266556 176352765 /nfs/dbraw/zinc/35/27/65/176352765.db2.gz GXUWHJXXIAFHLK-LBPRGKRZSA-N 0 0 276.380 3.546 10 0 CHAERN CCc1nn2c(ncc3c2CCCC3)c1-c1ccc(F)cc1 ZINC000072451926 176405476 /nfs/dbraw/zinc/40/54/76/176405476.db2.gz QRMQQNKFVXQDHY-UHFFFAOYSA-N 0 0 295.361 3.977 10 0 CHAERN O=Cc1nc(-c2cc(Br)ccc2F)cs1 ZINC000076497345 177029417 /nfs/dbraw/zinc/02/94/17/177029417.db2.gz HZIHPMNVPRJHMH-UHFFFAOYSA-N 0 0 286.125 3.524 10 0 CHAERN Cc1ccc(N(C)c2ncc(N)cc2Br)cc1 ZINC000076539653 177035853 /nfs/dbraw/zinc/03/58/53/177035853.db2.gz RVJXZCQOQQUJRQ-UHFFFAOYSA-N 0 0 292.180 3.503 10 0 CHAERN Cc1cc(Oc2cccc3ccccc32)ncc1N ZINC000077431546 177267141 /nfs/dbraw/zinc/26/71/41/177267141.db2.gz CLJYYRQLVPJRBR-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Fc1ccc(-c2cc3nc(Cl)cc(Cl)n3n2)cc1 ZINC000079032654 177418945 /nfs/dbraw/zinc/41/89/45/177418945.db2.gz VXNQMONUHVKYGZ-UHFFFAOYSA-N 0 0 282.105 3.842 10 0 CHAERN FC1(F)CCC[C@@H](c2nc([C@H]3CC34CC4)no2)C1 ZINC000334978179 225381953 /nfs/dbraw/zinc/38/19/53/225381953.db2.gz ZBGHTRCJHMYZNH-RKDXNWHRSA-N 0 0 254.280 3.630 10 0 CHAERN Cc1c(-c2nc(C3CCCC3)no2)cnn1-c1ccccc1 ZINC000171791676 335080341 /nfs/dbraw/zinc/08/03/41/335080341.db2.gz YZOXLKCLVCRMAP-UHFFFAOYSA-N 0 0 294.358 3.888 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000171911307 335083934 /nfs/dbraw/zinc/08/39/34/335083934.db2.gz ZNBYUQVCXRWMCQ-QWRGUYRKSA-N 0 0 253.773 3.809 10 0 CHAERN O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCN2 ZINC000037323357 260087973 /nfs/dbraw/zinc/08/79/73/260087973.db2.gz ZRCYUVAZWCKFKR-UHFFFAOYSA-N 0 0 290.725 3.699 10 0 CHAERN C[C@@H]1C[C@H](C)[C@H](c2nc(CO[C@H]3CCCC[C@H]3C)no2)O1 ZINC000329767161 227942589 /nfs/dbraw/zinc/94/25/89/227942589.db2.gz ZBWIBJXDUKQEAU-GEJOOGBSSA-N 0 0 294.395 3.651 10 0 CHAERN Fc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000114202854 228112909 /nfs/dbraw/zinc/11/29/09/228112909.db2.gz YZFWOYCHTMTGNM-OAHLLOKOSA-N 0 0 293.773 3.929 10 0 CHAERN C[C@H]1C[C@@H](c2nc(CC3=CCCCC3)no2)CCC1=O ZINC000330219209 228070300 /nfs/dbraw/zinc/07/03/00/228070300.db2.gz PIIGMIHLYFCFQT-AAEUAGOBSA-N 0 0 274.364 3.585 10 0 CHAERN Cc1cc(-c2nc(C(C)(C)C3CCC3)no2)nn1C(C)C ZINC000333148953 228191182 /nfs/dbraw/zinc/19/11/82/228191182.db2.gz HOFQANLLHXUSDL-UHFFFAOYSA-N 0 0 288.395 3.900 10 0 CHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@@H]2CCC[C@@H]21 ZINC000333348511 228198200 /nfs/dbraw/zinc/19/82/00/228198200.db2.gz RBPNVRCAEKAFLI-FZMZJTMJSA-N 0 0 297.358 3.721 10 0 CHAERN Cc1cccc(N[C@H]2CC(=O)N(C)c3ccccc32)c1 ZINC000037185456 260072636 /nfs/dbraw/zinc/07/26/36/260072636.db2.gz STUCHJYOXCOXTM-HNNXBMFYSA-N 0 0 266.344 3.515 10 0 CHAERN CC(=O)c1ccc(N[C@H]2c3cc(C)ccc3C[C@@H]2C)nc1 ZINC000180318831 260098196 /nfs/dbraw/zinc/09/81/96/260098196.db2.gz AAIHANSGCWVFJE-KPZWWZAWSA-N 0 0 280.371 3.938 10 0 CHAERN COc1ccccc1C1CC([NH2+][C@@H](C)c2ccco2)C1 ZINC000037506801 260113601 /nfs/dbraw/zinc/11/36/01/260113601.db2.gz CTUFHBSVRXSIMH-HSBZDZAISA-N 0 0 271.360 3.885 10 0 CHAERN Cc1ccsc1[C@H](C)Nc1cc(-n2cnnn2)ccc1C ZINC000070090826 260151824 /nfs/dbraw/zinc/15/18/24/260151824.db2.gz SPSJOVOQWIELTN-LBPRGKRZSA-N 0 0 299.403 3.514 10 0 CHAERN CC(C)[C@@H]1C[C@@H](Nc2cccc(-c3cnco3)c2)CCO1 ZINC000070358242 260156593 /nfs/dbraw/zinc/15/65/93/260156593.db2.gz YSASDJNAGGEUAA-HOTGVXAUSA-N 0 0 286.375 3.957 10 0 CHAERN c1cc2c(cccc2C[NH2+][C@H]2CCOc3ccccc32)[nH]1 ZINC000070938641 260158430 /nfs/dbraw/zinc/15/84/30/260158430.db2.gz AEVZFUVTPFZWFF-KRWDZBQOSA-N 0 0 278.355 3.781 10 0 CHAERN CSc1nccn2nc(-c3ccc(C)cc3C)cc12 ZINC000045925455 260192847 /nfs/dbraw/zinc/19/28/47/260192847.db2.gz ZXIQKAMEHHTLTH-UHFFFAOYSA-N 0 0 269.373 3.735 10 0 CHAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1nccs1 ZINC000086509617 260208202 /nfs/dbraw/zinc/20/82/02/260208202.db2.gz FZBVSSGHYFJYGL-NSHDSACASA-N 0 0 270.361 3.502 10 0 CHAERN Cc1cc(C)nc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000088521407 260233133 /nfs/dbraw/zinc/23/31/33/260233133.db2.gz UOZWGTCJNRMGRT-LBPRGKRZSA-N 0 0 259.328 3.714 10 0 CHAERN CC1CCC(CNc2cccc(-c3nncn3C)c2)CC1 ZINC000089576118 260237785 /nfs/dbraw/zinc/23/77/85/260237785.db2.gz AXUILNVLYYXDKX-UHFFFAOYSA-N 0 0 284.407 3.720 10 0 CHAERN FC(F)(F)c1ccnc(N[C@@H]2COc3ccccc32)c1 ZINC000090803501 260262542 /nfs/dbraw/zinc/26/25/42/260262542.db2.gz MFOYHHQLAUNCPV-LLVKDONJSA-N 0 0 280.249 3.646 10 0 CHAERN CCCn1ccc(CNc2cccc(-c3nnco3)c2)c1 ZINC000091009923 260264408 /nfs/dbraw/zinc/26/44/08/260264408.db2.gz QAYBWTGCJXVVJJ-UHFFFAOYSA-N 0 0 282.347 3.560 10 0 CHAERN CCCn1ccc(CNc2cc(C)ccc2OC)c1 ZINC000091009204 260264555 /nfs/dbraw/zinc/26/45/55/260264555.db2.gz QBHSHBLIIWKWMA-UHFFFAOYSA-N 0 0 258.365 3.827 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)cs1 ZINC000408153721 260297356 /nfs/dbraw/zinc/29/73/56/260297356.db2.gz LIRKGXSFULBTTK-SRRSOLGSSA-N 0 0 295.452 3.636 10 0 CHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@H](C)c2ccccc21 ZINC000090226446 260456718 /nfs/dbraw/zinc/45/67/18/260456718.db2.gz PTOYOCOZZOCCFD-ZLIFDBKOSA-N 0 0 296.418 3.650 10 0 CHAERN CCn1cc([C@H](C)Nc2cccc(-c3cnco3)c2)cn1 ZINC000044499466 260646790 /nfs/dbraw/zinc/64/67/90/260646790.db2.gz VHKLVHGWZIWQTD-LBPRGKRZSA-N 0 0 282.347 3.731 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)c(C)c1 ZINC000101526329 260958273 /nfs/dbraw/zinc/95/82/73/260958273.db2.gz MGTSWUAWZWCEMH-UHFFFAOYSA-N 0 0 293.326 3.606 10 0 CHAERN CC[C@H](SC)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000151125961 260978195 /nfs/dbraw/zinc/97/81/95/260978195.db2.gz SCFAOSJPHWYNDX-OCCSQVGLSA-N 0 0 293.432 3.547 10 0 CHAERN CC1(C)CCC(=Cc2nc(-c3cnccn3)no2)CC1 ZINC000151800778 261055199 /nfs/dbraw/zinc/05/51/99/261055199.db2.gz MNNMXIPUVFXBKY-UHFFFAOYSA-N 0 0 270.336 3.510 10 0 CHAERN C[C@H](c1ccccn1)N(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152636404 261066846 /nfs/dbraw/zinc/06/68/46/261066846.db2.gz ZWEJKBLWFXCWRW-BMFZPTHFSA-N 0 0 286.419 3.817 10 0 CHAERN C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152690854 261068462 /nfs/dbraw/zinc/06/84/62/261068462.db2.gz ZYLRUFGGHYSBDJ-KBRIMQKVSA-N 0 0 286.419 3.817 10 0 CHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000153944908 261085659 /nfs/dbraw/zinc/08/56/59/261085659.db2.gz BJGKZCOLQIYDAP-QWHCGFSZSA-N 0 0 276.380 3.700 10 0 CHAERN CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)COC)o1 ZINC000155031555 261097137 /nfs/dbraw/zinc/09/71/37/261097137.db2.gz HVIKJNGQAGIGQY-UKRRQHHQSA-N 0 0 293.407 3.568 10 0 CHAERN CC(C)(NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000156289615 261119147 /nfs/dbraw/zinc/11/91/47/261119147.db2.gz OOEZGHITNAIAIU-CHWSQXEVSA-N 0 0 292.448 3.711 10 0 CHAERN C[C@@H](NC(=O)N1CCC2(CCC2)C1)c1ccc(F)c(F)c1 ZINC000158677376 261168799 /nfs/dbraw/zinc/16/87/99/261168799.db2.gz MYCCLTRIUYPUBL-LLVKDONJSA-N 0 0 294.345 3.611 10 0 CHAERN C[C@@H](C(=O)N1CCS[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000175375859 261223965 /nfs/dbraw/zinc/22/39/65/261223965.db2.gz PIIKRSWMHYTHNL-UONOGXRCSA-N 0 0 299.439 3.907 10 0 CHAERN O=C(CC1CCCCCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000175607576 261236984 /nfs/dbraw/zinc/23/69/84/261236984.db2.gz LJMYQOQSRSTDRE-JKSUJKDBSA-N 0 0 279.424 3.517 10 0 CHAERN Cc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1-c1ncco1 ZINC000161574315 261251631 /nfs/dbraw/zinc/25/16/31/261251631.db2.gz FYLXPHUFICXPLV-LBPRGKRZSA-N 0 0 287.363 3.816 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(C)n1 ZINC000176206830 261270437 /nfs/dbraw/zinc/27/04/37/261270437.db2.gz PZULMOOBEPPHJR-GJZGRUSLSA-N 0 0 272.392 3.853 10 0 CHAERN CC(C)[C@@H](CC(=O)NCc1cscn1)c1ccccc1 ZINC000103004618 261273609 /nfs/dbraw/zinc/27/36/09/261273609.db2.gz AHMOEVHBILQMGU-OAHLLOKOSA-N 0 0 288.416 3.589 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H]2C)c1C ZINC000176338788 261277177 /nfs/dbraw/zinc/27/71/77/261277177.db2.gz FXEZSSRIKZIEGG-RCBQFDQVSA-N 0 0 272.392 3.558 10 0 CHAERN COc1ccc2nc(C(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2c1 ZINC000103368152 261279720 /nfs/dbraw/zinc/27/97/20/261279720.db2.gz QWNMNEIZBREVBO-STQMWFEESA-N 0 0 298.386 3.647 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC2(C)C)o1 ZINC000176432538 261286004 /nfs/dbraw/zinc/28/60/04/261286004.db2.gz AWXXJSOVMZMESA-WCQYABFASA-N 0 0 264.369 3.527 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2ccco2)c2ccccc21 ZINC000162742639 261293264 /nfs/dbraw/zinc/29/32/64/261293264.db2.gz PZRKPGIWNSJWEH-RISCZKNCSA-N 0 0 255.317 3.648 10 0 CHAERN CCN(C(=O)N1CC=C(c2cccs2)CC1)C(C)C ZINC000162812836 261294911 /nfs/dbraw/zinc/29/49/11/261294911.db2.gz VOZDNFHLJLQQPB-UHFFFAOYSA-N 0 0 278.421 3.688 10 0 CHAERN COC[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104463380 261294942 /nfs/dbraw/zinc/29/49/42/261294942.db2.gz KEYOGNZHCGADLZ-XHDPSFHLSA-N 0 0 295.810 3.580 10 0 CHAERN CC1(C)CCC[C@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000176614034 261301515 /nfs/dbraw/zinc/30/15/15/261301515.db2.gz IZMNVJHJNDEWKK-GXTWGEPZSA-N 0 0 276.380 3.705 10 0 CHAERN CC[C@H](SCc1nnnn1C(C)C)c1ccc(F)cc1 ZINC000176904129 261318075 /nfs/dbraw/zinc/31/80/75/261318075.db2.gz BEVYXLQOKKQMAT-ZDUSSCGKSA-N 0 0 294.399 3.778 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1nccs1 ZINC000106279039 261324606 /nfs/dbraw/zinc/32/46/06/261324606.db2.gz AQZSJAYECNQZOE-DGCLKSJQSA-N 0 0 293.436 3.568 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccccc2)o1 ZINC000163729938 261327090 /nfs/dbraw/zinc/32/70/90/261327090.db2.gz JOPJPLIXPVNSBY-QWHCGFSZSA-N 0 0 257.333 3.569 10 0 CHAERN Cc1ccc([C@H](C)Nc2ncc(C)c(C)n2)cc1F ZINC000301868500 261343817 /nfs/dbraw/zinc/34/38/17/261343817.db2.gz DXBQVLUJHONUMC-LBPRGKRZSA-N 0 0 259.328 3.714 10 0 CHAERN CCC1(CNC(=O)N2CCC[C@@H]2c2ccco2)CCC1 ZINC000177384487 261352325 /nfs/dbraw/zinc/35/23/25/261352325.db2.gz YMTIXUGXAOPLKA-CYBMUJFWSA-N 0 0 276.380 3.706 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)o1 ZINC000177450020 261355726 /nfs/dbraw/zinc/35/57/26/261355726.db2.gz KPFMVUDCVNSXMV-KFWWJZLASA-N 0 0 273.376 3.688 10 0 CHAERN CC[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791523 261358350 /nfs/dbraw/zinc/35/83/50/261358350.db2.gz FBUPHOPAZUKUES-VHSXEESVSA-N 0 0 296.827 3.569 10 0 CHAERN C[C@@H](NC(=O)C(C)(C)c1cccs1)c1cccs1 ZINC000172050646 261491592 /nfs/dbraw/zinc/49/15/92/261491592.db2.gz AXUDWWVXYNJBMW-SNVBAGLBSA-N 0 0 279.430 3.965 10 0 CHAERN CS[C@H](C(=O)N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000172511993 261502585 /nfs/dbraw/zinc/50/25/85/261502585.db2.gz JFUHNIGETLMENU-DOMZBBRYSA-N 0 0 289.400 3.870 10 0 CHAERN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000172693035 261507741 /nfs/dbraw/zinc/50/77/41/261507741.db2.gz ZECGUZPOGGZEBP-LRDDRELGSA-N 0 0 299.345 3.569 10 0 CHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000173955507 261551861 /nfs/dbraw/zinc/55/18/61/261551861.db2.gz CDCGUEMQPIGBNE-CYBMUJFWSA-N 0 0 292.448 3.773 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)C2CC2)o1 ZINC000178512723 261747024 /nfs/dbraw/zinc/74/70/24/261747024.db2.gz RTOZHKJLUBFBBP-TZMCWYRMSA-N 0 0 261.365 3.688 10 0 CHAERN CC(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000180970496 261880936 /nfs/dbraw/zinc/88/09/36/261880936.db2.gz DEEXNYXHGARRSE-RYUDHWBXSA-N 0 0 286.297 3.817 10 0 CHAERN O=C(NCc1ccc(Cl)cn1)[C@H]1C[C@H]1C1CCCCC1 ZINC000181650925 261906297 /nfs/dbraw/zinc/90/62/97/261906297.db2.gz XIWXDRHCGSPEJQ-GJZGRUSLSA-N 0 0 292.810 3.568 10 0 CHAERN COc1ccc([C@H](C)NC(=O)[C@H](C)CC(C)C)cc1OC ZINC000185151760 262043744 /nfs/dbraw/zinc/04/37/44/262043744.db2.gz XFEYMENXCZOUCQ-OLZOCXBDSA-N 0 0 293.407 3.563 10 0 CHAERN CSCCCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182230289 262049032 /nfs/dbraw/zinc/04/90/32/262049032.db2.gz QCTPGXOGDDBCEQ-GUYCJALGSA-N 0 0 291.460 3.878 10 0 CHAERN Cc1ccncc1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000186400169 262091917 /nfs/dbraw/zinc/09/19/17/262091917.db2.gz ZWZPTUPEDLZUHG-UHFFFAOYSA-N 0 0 284.359 3.647 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(C)cc2F)C12CCOCC2 ZINC000186470690 262094597 /nfs/dbraw/zinc/09/45/97/262094597.db2.gz DGJSYCHVXDEULO-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN COc1ccc(CNc2ccnc(Cl)c2)cc1C ZINC000129859602 264339689 /nfs/dbraw/zinc/33/96/89/264339689.db2.gz NJGICVYNVLNJPK-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CC[C@@H](Nc1ncncc1Cl)c1cccs1 ZINC000163600660 264361910 /nfs/dbraw/zinc/36/19/10/264361910.db2.gz IGQVQDHDKWZVRG-SECBINFHSA-N 0 0 253.758 3.755 10 0 CHAERN CC(C)n1cccc1C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190244100 264396868 /nfs/dbraw/zinc/39/68/68/264396868.db2.gz LFXMMWXKPAFJGK-HNNXBMFYSA-N 0 0 298.386 3.582 10 0 CHAERN CC(C)[C@H](C)NC(=O)N[C@H](C)c1ccccc1Cl ZINC000022881130 265024755 /nfs/dbraw/zinc/02/47/55/265024755.db2.gz PLJYJYDPTJBBCD-WDEREUQCSA-N 0 0 268.788 3.745 10 0 CHAERN Fc1cc(Cl)cnc1N[C@H]1CCOc2ccccc21 ZINC000094052306 265212268 /nfs/dbraw/zinc/21/22/68/265212268.db2.gz MVHNBWNFURJPHA-LBPRGKRZSA-N 0 0 278.714 3.810 10 0 CHAERN Clc1ncc(CN2C[C@@H]3CCCCC[C@@H]32)s1 ZINC000363037930 267074233 /nfs/dbraw/zinc/07/42/33/267074233.db2.gz PYRYKPMMJISWBY-ONGXEEELSA-N 0 0 256.802 3.561 10 0 CHAERN COc1cccc(CCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116210533 267133670 /nfs/dbraw/zinc/13/36/70/267133670.db2.gz PBLMHZZGVZICSV-MRXNPFEDSA-N 0 0 299.370 3.585 10 0 CHAERN Cc1cc(N2CCC[C@@H]2c2ccco2)nc(C2CC2)n1 ZINC000116262952 267134935 /nfs/dbraw/zinc/13/49/35/267134935.db2.gz WAYDNHUAEJGRNE-CYBMUJFWSA-N 0 0 269.348 3.597 10 0 CHAERN Cc1cc(Oc2c(F)cccc2F)nc(C2CC2)n1 ZINC000116259847 267135097 /nfs/dbraw/zinc/13/50/97/267135097.db2.gz SLOYLNNGWUTCAH-UHFFFAOYSA-N 0 0 262.259 3.733 10 0 CHAERN c1coc([C@H]2CCCN2Cc2nc3ccccc3o2)c1 ZINC000116294231 267137811 /nfs/dbraw/zinc/13/78/11/267137811.db2.gz KOTCPSDEJWZOCV-CYBMUJFWSA-N 0 0 268.316 3.758 10 0 CHAERN CCN(C(=O)N1CCCC[C@@H]1c1nccs1)C(C)C ZINC000119056195 267294448 /nfs/dbraw/zinc/29/44/48/267294448.db2.gz HERQYPOSRJXGOB-GFCCVEGCSA-N 0 0 281.425 3.520 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc2ccccc2c1 ZINC000123421975 268052729 /nfs/dbraw/zinc/05/27/29/268052729.db2.gz HTRHVEHQMAAKJK-IGCXYCKISA-N 0 0 283.371 3.585 10 0 CHAERN CCc1cc(OCCCCC(N)=S)ccc1Cl ZINC000049583169 523840329 /nfs/dbraw/zinc/84/03/29/523840329.db2.gz ISDYRWQTFVSSMM-UHFFFAOYSA-N 0 0 271.813 3.738 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1cc2ccccc2s1 ZINC000170956285 327680001 /nfs/dbraw/zinc/68/00/01/327680001.db2.gz IZLRXMVVAXKVBO-NHCYSSNCSA-N 0 0 274.389 3.670 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC000063061114 327921684 /nfs/dbraw/zinc/92/16/84/327921684.db2.gz KYEGDZRCQFVSKR-UHFFFAOYSA-N 0 0 263.356 3.833 10 0 CHAERN CC[C@@H](NC(=O)c1ccc2[nH]c(C)c(C)c2c1)C(C)C ZINC000048977964 328327586 /nfs/dbraw/zinc/32/75/86/328327586.db2.gz BELKOBBEODAXQW-OAHLLOKOSA-N 0 0 272.392 3.949 10 0 CHAERN COc1ccc(-c2nc([C@H]3CCC[C@@H](C)C3)no2)c(O)c1 ZINC000111689049 328374732 /nfs/dbraw/zinc/37/47/32/328374732.db2.gz OIFOEPXLPSLNHF-MNOVXSKESA-N 0 0 288.347 3.745 10 0 CHAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000109083711 326824027 /nfs/dbraw/zinc/82/40/27/326824027.db2.gz JMYUUQZIVOTURX-KGLIPLIRSA-N 0 0 299.320 3.658 10 0 CHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000109083708 326824070 /nfs/dbraw/zinc/82/40/70/326824070.db2.gz JMYUUQZIVOTURX-ZIAGYGMSSA-N 0 0 299.320 3.658 10 0 CHAERN Cc1c(-c2nc(-c3ccc(C)cc3)no2)cnn1CC(C)C ZINC000179459555 326830738 /nfs/dbraw/zinc/83/07/38/326830738.db2.gz ANBKEZRJCCHQAJ-UHFFFAOYSA-N 0 0 296.374 3.873 10 0 CHAERN CSc1ccccc1NC(=O)c1ccc2c(c1)CCN2 ZINC000037016090 326834390 /nfs/dbraw/zinc/83/43/90/326834390.db2.gz SRYMEAWNIZGWHA-UHFFFAOYSA-N 0 0 284.384 3.629 10 0 CHAERN CC(C)(C)[C@H](O)CSc1ccc(Br)cc1 ZINC000082730696 326846508 /nfs/dbraw/zinc/84/65/08/326846508.db2.gz RUDQJJQJKCPRHF-LLVKDONJSA-N 0 0 289.238 3.948 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)/C=C\c2cccnc2)o1 ZINC000255556591 326993363 /nfs/dbraw/zinc/99/33/63/326993363.db2.gz WPKBNMJCXQPAMD-SIJIIQCFSA-N 0 0 296.370 3.750 10 0 CHAERN CC(C)c1nc(Br)c(Br)s1 ZINC000072192863 327110046 /nfs/dbraw/zinc/11/00/46/327110046.db2.gz ARDLCJKOSWVEJU-UHFFFAOYSA-N 0 0 285.004 3.792 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1N ZINC000091477317 327170773 /nfs/dbraw/zinc/17/07/73/327170773.db2.gz IKIHMIHZNKASTJ-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461207 327179081 /nfs/dbraw/zinc/17/90/81/327179081.db2.gz NJTALXFBQYVNEN-NUEKZKHPSA-N 0 0 287.403 3.590 10 0 CHAERN CCC1CCC(c2noc(-c3cnc(C)nc3C)n2)CC1 ZINC000408226397 327306264 /nfs/dbraw/zinc/30/62/64/327306264.db2.gz PCDSEMSGFRAWPM-UHFFFAOYSA-N 0 0 286.379 3.827 10 0 CHAERN CCN(C(=O)[C@H]1CC[C@@H](C)O1)c1cccc2ccccc21 ZINC000151071906 327425283 /nfs/dbraw/zinc/42/52/83/327425283.db2.gz XSADBXUWFMUDEH-CXAGYDPISA-N 0 0 283.371 3.760 10 0 CHAERN CCC1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000042354103 328766828 /nfs/dbraw/zinc/76/68/28/328766828.db2.gz JJVMLZDNMMVWLB-UHFFFAOYSA-N 0 0 284.403 3.795 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000103373973 328768444 /nfs/dbraw/zinc/76/84/44/328768444.db2.gz DUFOHONMSOOWND-LLVKDONJSA-N 0 0 299.798 3.596 10 0 CHAERN CCNC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000043467112 328788357 /nfs/dbraw/zinc/78/83/57/328788357.db2.gz XIVABNRVEYQLCV-ZDUSSCGKSA-N 0 0 268.360 3.734 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1ccc(F)c2ccccc12 ZINC000300543547 332823584 /nfs/dbraw/zinc/82/35/84/332823584.db2.gz IEJHUQGWGFJHBG-NSHDSACASA-N 0 0 259.324 3.753 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362841847 328930094 /nfs/dbraw/zinc/93/00/94/328930094.db2.gz WYNZMAOPYUYKJJ-ZFWWWQNUSA-N 0 0 268.360 3.573 10 0 CHAERN Cc1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116039485 328933812 /nfs/dbraw/zinc/93/38/12/328933812.db2.gz WBCJLQKMZAGMQB-MRXNPFEDSA-N 0 0 283.371 3.884 10 0 CHAERN Cc1ccoc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117724386 328942786 /nfs/dbraw/zinc/94/27/86/328942786.db2.gz PPKHYVVWQQBYSK-UHFFFAOYSA-N 0 0 273.357 3.579 10 0 CHAERN Cn1ncc2c1CCC[C@H]2Nc1cccc(-c2cnco2)c1 ZINC000193911381 329063801 /nfs/dbraw/zinc/06/38/01/329063801.db2.gz CDYOTIANYXKSNU-OAHLLOKOSA-N 0 0 294.358 3.565 10 0 CHAERN Cn1ncc2c1CCC[C@@H]2Nc1cccc(-c2cnco2)c1 ZINC000193911403 329063808 /nfs/dbraw/zinc/06/38/08/329063808.db2.gz CDYOTIANYXKSNU-HNNXBMFYSA-N 0 0 294.358 3.565 10 0 CHAERN O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000172243040 329084242 /nfs/dbraw/zinc/08/42/42/329084242.db2.gz KXKOWOMXWPYVPN-KRWDZBQOSA-N 0 0 295.382 3.675 10 0 CHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000173733258 329148015 /nfs/dbraw/zinc/14/80/15/329148015.db2.gz ULLYHJSMAMNHGU-IRXDYDNUSA-N 0 0 283.415 3.891 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CC3CCC3)C2)cc1 ZINC000173622878 329150028 /nfs/dbraw/zinc/15/00/28/329150028.db2.gz XUFFQEGQTZTDFF-BBRMVZONSA-N 0 0 287.403 3.590 10 0 CHAERN C[C@@]1(C(=O)N2CCC3(C2)CCCCC3)CC1(Cl)Cl ZINC000174013309 329156988 /nfs/dbraw/zinc/15/69/88/329156988.db2.gz ZISOMVAFESXTOU-LBPRGKRZSA-N 0 0 290.234 3.753 10 0 CHAERN C[C@H](C(=O)N1CC=C(c2cccs2)CC1)c1cccnc1 ZINC000174978046 329162059 /nfs/dbraw/zinc/16/20/59/329162059.db2.gz VSLUPJWVUYZDRK-ZDUSSCGKSA-N 0 0 298.411 3.563 10 0 CHAERN Cc1cscc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000176451842 329175780 /nfs/dbraw/zinc/17/57/80/329175780.db2.gz AQEBJWJQKALYFJ-NSHDSACASA-N 0 0 292.429 3.533 10 0 CHAERN Cc1ccncc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180064399 329215111 /nfs/dbraw/zinc/21/51/11/329215111.db2.gz CMQMKQGZSLRMFD-DGCLKSJQSA-N 0 0 260.381 3.791 10 0 CHAERN CC(=O)c1cnc(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180614805 329221235 /nfs/dbraw/zinc/22/12/35/329221235.db2.gz LZLFVTHQNMSLPR-GXSJLCMTSA-N 0 0 294.420 3.747 10 0 CHAERN COc1cccnc1N(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181178855 329233088 /nfs/dbraw/zinc/23/30/88/329233088.db2.gz LOVKJWCFJGPORO-CHWSQXEVSA-N 0 0 290.407 3.515 10 0 CHAERN CCOCCC1(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000181166156 329233127 /nfs/dbraw/zinc/23/31/27/329233127.db2.gz SYRUGZYLXXBZHZ-LSDHHAIUSA-N 0 0 295.467 3.772 10 0 CHAERN Cc1cccc(OCc2ncc(-c3cccs3)o2)n1 ZINC000181792637 329237379 /nfs/dbraw/zinc/23/73/79/329237379.db2.gz MVGRVRFDVCEMAQ-UHFFFAOYSA-N 0 0 272.329 3.686 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2nccs2)CC(C)(C)C1 ZINC000182221993 329241000 /nfs/dbraw/zinc/24/10/00/329241000.db2.gz AGPIVLOJPCDPDI-ZJUUUORDSA-N 0 0 252.383 3.544 10 0 CHAERN O=C(NCCC[C@@H]1CCCCO1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000183461999 329247795 /nfs/dbraw/zinc/24/77/95/329247795.db2.gz IDDTZXWOPUCKSR-GVDBMIGSSA-N 0 0 293.451 3.668 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)COC(C)(C)C)c2ccccc21 ZINC000183507726 329248346 /nfs/dbraw/zinc/24/83/46/329248346.db2.gz ATHDLWANTICPEQ-SWLSCSKDSA-N 0 0 275.392 3.556 10 0 CHAERN Cc1nc(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)sc1C ZINC000184099261 329256411 /nfs/dbraw/zinc/25/64/11/329256411.db2.gz IDGDEGOVSRBLAC-MFKMUULPSA-N 0 0 294.464 3.839 10 0 CHAERN C[C@@H](CCc1ccco1)Nc1cccc2c1OCC[C@@H]2O ZINC000184567658 329259969 /nfs/dbraw/zinc/25/99/69/329259969.db2.gz GSAULQRYVOJBFJ-LRDDRELGSA-N 0 0 287.359 3.529 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(Cl)cs2)o1 ZINC000226402922 329260802 /nfs/dbraw/zinc/26/08/02/329260802.db2.gz VYCQAUSUWAMIRO-MRVPVSSYSA-N 0 0 256.758 3.549 10 0 CHAERN ClC(Cl)(Cl)CCN1CCCC[C@H]1c1cn[nH]c1 ZINC000184658193 329261893 /nfs/dbraw/zinc/26/18/93/329261893.db2.gz DQNCABMUWAKOKR-JTQLQIEISA-N 0 0 296.629 3.697 10 0 CHAERN C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000184694879 329261997 /nfs/dbraw/zinc/26/19/97/329261997.db2.gz ILTFGWLURXXHLG-NWDGAFQWSA-N 0 0 285.347 3.501 10 0 CHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)CC(C)C)CC2)n1 ZINC000184724794 329262686 /nfs/dbraw/zinc/26/26/86/329262686.db2.gz GLSPPCMNQLBKKV-LBPRGKRZSA-N 0 0 294.464 3.840 10 0 CHAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000185456843 329273676 /nfs/dbraw/zinc/27/36/76/329273676.db2.gz PMFNZFYNCIAJGE-KGLIPLIRSA-N 0 0 275.417 3.656 10 0 CHAERN c1ccc(-c2cnc(C[NH2+]C[C@@H]3CC=CCC3)nc2)cc1 ZINC000185876286 329333994 /nfs/dbraw/zinc/33/39/94/329333994.db2.gz FOKSSLKKTNNOLR-OAHLLOKOSA-N 0 0 279.387 3.590 10 0 CHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)cs1 ZINC000187039869 329351562 /nfs/dbraw/zinc/35/15/62/329351562.db2.gz MYXRNOJWHCQKPX-GXFFZTMASA-N 0 0 295.452 3.733 10 0 CHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccsc1Cl ZINC000187822068 329360904 /nfs/dbraw/zinc/36/09/04/329360904.db2.gz FUKUUISUOOLBNJ-PRHODGIISA-N 0 0 293.775 3.905 10 0 CHAERN CC[C@H](C)CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000188143923 329364987 /nfs/dbraw/zinc/36/49/87/329364987.db2.gz ZALNTXUBQODVLE-ZDUSSCGKSA-N 0 0 292.398 3.665 10 0 CHAERN CSC1(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000188422592 329368550 /nfs/dbraw/zinc/36/85/50/329368550.db2.gz JJVLDXCWGJQCRB-FZMZJTMJSA-N 0 0 275.417 3.637 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(Cl)c(F)c2)o1 ZINC000231525330 329376862 /nfs/dbraw/zinc/37/68/62/329376862.db2.gz JJXCGUJGAQEURZ-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN CC[C@@]1(C)C[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831276 329389430 /nfs/dbraw/zinc/38/94/30/329389430.db2.gz LRLJRZAHELGUSO-QAPCUYQASA-N 0 0 299.414 3.518 10 0 CHAERN CC[C@@]1(C)C[C@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831319 329389482 /nfs/dbraw/zinc/38/94/82/329389482.db2.gz LRLJRZAHELGUSO-YJBOKZPZSA-N 0 0 299.414 3.518 10 0 CHAERN Cc1cscc1C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189950345 329390483 /nfs/dbraw/zinc/39/04/83/329390483.db2.gz LLUXULPCOSWGMY-AWEZNQCLSA-N 0 0 287.384 3.619 10 0 CHAERN CC(C)CC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190269165 329394191 /nfs/dbraw/zinc/39/41/91/329394191.db2.gz OGXYTEBJXRNUES-LBPRGKRZSA-N 0 0 281.346 3.717 10 0 CHAERN CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191197567 329410334 /nfs/dbraw/zinc/41/03/34/329410334.db2.gz GFQAGKLFUIZNMZ-VXGBXAGGSA-N 0 0 281.346 3.717 10 0 CHAERN C[C@@]1(C(=O)N2CCC[C@H]2c2ccccc2)CC1(Cl)Cl ZINC000192780023 329436080 /nfs/dbraw/zinc/43/60/80/329436080.db2.gz BSZMEEYYZGNIAF-JSGCOSHPSA-N 0 0 298.213 3.934 10 0 CHAERN CCSc1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000583764058 329476080 /nfs/dbraw/zinc/47/60/80/329476080.db2.gz VTLQZFWANLGUKA-ZIAGYGMSSA-N 0 0 251.395 3.514 10 0 CHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000117750633 329546327 /nfs/dbraw/zinc/54/63/27/329546327.db2.gz CKMUGOIDYQZACC-APPDUMDISA-N 0 0 292.338 3.671 10 0 CHAERN CSCCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127630843 329601371 /nfs/dbraw/zinc/60/13/71/329601371.db2.gz FCFCQFDXENNBNT-CYBMUJFWSA-N 0 0 281.421 3.785 10 0 CHAERN Cc1nc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)sc1C ZINC000075335955 329866554 /nfs/dbraw/zinc/86/65/54/329866554.db2.gz MMFDAFURANZPEV-KGLIPLIRSA-N 0 0 292.448 3.593 10 0 CHAERN Cc1nc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)sc1C ZINC000075335957 329866648 /nfs/dbraw/zinc/86/66/48/329866648.db2.gz MMFDAFURANZPEV-UONOGXRCSA-N 0 0 292.448 3.593 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)c1cccnc1)[C@H](C)C2 ZINC000248574153 329898352 /nfs/dbraw/zinc/89/83/52/329898352.db2.gz OWXPTVCGHKJRJT-HBUWYVDXSA-N 0 0 294.398 3.543 10 0 CHAERN Cc1cccc([C@@H](NC(=O)C[C@H](O)C(C)C)C(C)(C)C)c1 ZINC000161993778 329964195 /nfs/dbraw/zinc/96/41/95/329964195.db2.gz CPOUDXVPIQHQTR-DOTOQJQBSA-N 0 0 291.435 3.605 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)c1ccccc1Cl ZINC000255377713 329965437 /nfs/dbraw/zinc/96/54/37/329965437.db2.gz QSABMQQKVISOET-UHTWSYAYSA-N 0 0 289.762 3.914 10 0 CHAERN C[C@@H](Oc1ccc(Oc2ccccc2)cc1)[C@H](C)O ZINC000044214591 330326789 /nfs/dbraw/zinc/32/67/89/330326789.db2.gz PTTQBJNWCQTKGH-QWHCGFSZSA-N 0 0 258.317 3.627 10 0 CHAERN CCc1nsc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000087640931 330373828 /nfs/dbraw/zinc/37/38/28/330373828.db2.gz ZYTSZMSGWHVYAQ-QMMMGPOBSA-N 0 0 267.785 3.927 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(Cl)c[nH]2)cc1F ZINC000119418454 330374749 /nfs/dbraw/zinc/37/47/49/330374749.db2.gz XCSRUIZQFOICGB-VIFPVBQESA-N 0 0 280.730 3.607 10 0 CHAERN CCC(CC)CC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000119644603 330378108 /nfs/dbraw/zinc/37/81/08/330378108.db2.gz YTBZFQJRGGWAJF-GFCCVEGCSA-N 0 0 293.407 3.707 10 0 CHAERN CCOC(=O)c1c(CC)c2ccccc2nc1C1CC1 ZINC000536952232 330382501 /nfs/dbraw/zinc/38/25/01/330382501.db2.gz BRXLTJIVBSQEOJ-UHFFFAOYSA-N 0 0 269.344 3.851 10 0 CHAERN CC[C@]1(Br)COc2cc(C)c(C)cc2O1 ZINC000536955335 330383101 /nfs/dbraw/zinc/38/31/01/330383101.db2.gz PMNZBSZHHRWXKX-GFCCVEGCSA-N 0 0 271.154 3.576 10 0 CHAERN CC(C)c1ccc([C@H]2CNC(=O)C23CCCC3)cc1 ZINC000536955326 330383113 /nfs/dbraw/zinc/38/31/13/330383113.db2.gz WXFIBVSSXOYZSA-OAHLLOKOSA-N 0 0 257.377 3.584 10 0 CHAERN COc1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 ZINC000536961297 330384375 /nfs/dbraw/zinc/38/43/75/330384375.db2.gz YVYXGIRLLWAYHW-UHFFFAOYSA-N 0 0 288.656 3.824 10 0 CHAERN CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)no1 ZINC000120208466 330386283 /nfs/dbraw/zinc/38/62/83/330386283.db2.gz DRIRFNBZFISTLE-JTQLQIEISA-N 0 0 292.766 3.942 10 0 CHAERN CCn1c(C)nnc1CS[C@@H](C)c1cccc(C)c1 ZINC000091030400 330397897 /nfs/dbraw/zinc/39/78/97/330397897.db2.gz NVQDUSZEUMUGFC-LBPRGKRZSA-N 0 0 275.421 3.909 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)COC3)o1 ZINC000092164647 330407450 /nfs/dbraw/zinc/40/74/50/330407450.db2.gz JSGBYYOTCKCMEB-NSHDSACASA-N 0 0 286.331 3.501 10 0 CHAERN COCCOc1cc(C)ccc1N[C@H](C)c1cncs1 ZINC000164932128 331305402 /nfs/dbraw/zinc/30/54/02/331305402.db2.gz ODXSJLVGSITMPX-GFCCVEGCSA-N 0 0 292.404 3.650 10 0 CHAERN CCOc1ccc(N[C@@H](C)c2cncs2)cc1OC ZINC000165490451 331306211 /nfs/dbraw/zinc/30/62/11/331306211.db2.gz AKNIQSMCBMPFSB-JTQLQIEISA-N 0 0 278.377 3.724 10 0 CHAERN CCC1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000167073696 331307865 /nfs/dbraw/zinc/30/78/65/331307865.db2.gz VSJCNLDJUOEMNQ-UHFFFAOYSA-N 0 0 273.302 3.876 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000172138933 335095812 /nfs/dbraw/zinc/09/58/12/335095812.db2.gz TUQIJPLEXNADFF-GFCCVEGCSA-N 0 0 282.815 3.568 10 0 CHAERN C[C@H](NC(=O)NCCC1CC1)c1cccc(Cl)c1 ZINC000174547276 333002056 /nfs/dbraw/zinc/00/20/56/333002056.db2.gz CTEIKBWKALATRF-JTQLQIEISA-N 0 0 266.772 3.500 10 0 CHAERN COc1csc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000176424093 333041966 /nfs/dbraw/zinc/04/19/66/333041966.db2.gz DBVGKEZGKVPTQB-VIFPVBQESA-N 0 0 295.791 3.901 10 0 CHAERN CCC1(C(=O)N[C@H](C)COCc2ccccc2)CCCC1 ZINC000176653861 333045249 /nfs/dbraw/zinc/04/52/49/333045249.db2.gz NNZLWKLBYUKCFH-OAHLLOKOSA-N 0 0 289.419 3.678 10 0 CHAERN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000177473526 333059358 /nfs/dbraw/zinc/05/93/58/333059358.db2.gz XICQJKAGLUSVCT-FJJYHAOUSA-N 0 0 294.826 3.882 10 0 CHAERN CC[C@@H](NC(=O)c1c(C)cccc1Br)C(C)C ZINC000310571707 333060205 /nfs/dbraw/zinc/06/02/05/333060205.db2.gz OEXLYZGDPWCJPX-GFCCVEGCSA-N 0 0 298.224 3.922 10 0 CHAERN CCc1oc(C(=O)N[C@H](C)c2cccs2)cc1C ZINC000177719863 333062255 /nfs/dbraw/zinc/06/22/55/333062255.db2.gz RLOHVEKMRHXTJM-SNVBAGLBSA-N 0 0 263.362 3.703 10 0 CHAERN C[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000087001252 333080730 /nfs/dbraw/zinc/08/07/30/333080730.db2.gz UPSXPAMLNOEZPZ-KDOFPFPSSA-N 0 0 297.398 3.976 10 0 CHAERN C[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000087001253 333080853 /nfs/dbraw/zinc/08/08/53/333080853.db2.gz UPSXPAMLNOEZPZ-KBXCAEBGSA-N 0 0 297.398 3.976 10 0 CHAERN CC(C)C[C@H](CCO)CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184105821 333125115 /nfs/dbraw/zinc/12/51/15/333125115.db2.gz ADACRZOVJRFCDV-PMPSAXMXSA-N 0 0 297.483 3.610 10 0 CHAERN CC(C)C[C@H](C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184664759 333131380 /nfs/dbraw/zinc/13/13/80/333131380.db2.gz XWEMDLFMIALBQA-SRVKXCTJSA-N 0 0 279.346 3.906 10 0 CHAERN CC1(C)[C@H](Nc2cc(F)cc(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000220513326 333166990 /nfs/dbraw/zinc/16/69/90/333166990.db2.gz KYKJHVJZMGAKFE-XQQFMLRXSA-N 0 0 269.747 3.705 10 0 CHAERN Cc1ccc(Cl)c(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000220521264 333167055 /nfs/dbraw/zinc/16/70/55/333167055.db2.gz QWLXDDPLNLRBOH-GDLCADMTSA-N 0 0 265.784 3.874 10 0 CHAERN CCc1cccc(CN2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000189228587 333186918 /nfs/dbraw/zinc/18/69/18/333186918.db2.gz GTGKPPISZCYVRP-UHFFFAOYSA-N 0 0 297.446 3.664 10 0 CHAERN CCOC1CC(CCNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000190032240 333202135 /nfs/dbraw/zinc/20/21/35/333202135.db2.gz OQFXQWGNJKKDLA-UIDBIOKJSA-N 0 0 295.467 3.770 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000190306553 333205497 /nfs/dbraw/zinc/20/54/97/333205497.db2.gz XDTNURLPDIKJPL-QPUJVOFHSA-N 0 0 288.174 3.747 10 0 CHAERN C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1ccc2ccccc2c1 ZINC000190621166 333209070 /nfs/dbraw/zinc/20/90/70/333209070.db2.gz LRQRYNPSEDLNRG-IYOUNJFTSA-N 0 0 297.398 3.832 10 0 CHAERN COc1cccc([C@H](C)C(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000194393389 333270715 /nfs/dbraw/zinc/27/07/15/333270715.db2.gz UONMFHGBHYXHEY-QWHCGFSZSA-N 0 0 287.359 3.578 10 0 CHAERN CCCOc1ccccc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250285746 333304173 /nfs/dbraw/zinc/30/41/73/333304173.db2.gz ZMWUITUZZJLTSY-DAXOMENPSA-N 0 0 275.392 3.701 10 0 CHAERN Oc1ccc(-c2nc([C@H]3CCCCS3)no2)c(F)c1 ZINC000230229368 333316177 /nfs/dbraw/zinc/31/61/77/333316177.db2.gz CCSQLYPKMKRLSH-LLVKDONJSA-N 0 0 280.324 3.540 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(C(F)F)c2)o1 ZINC000232004947 333332638 /nfs/dbraw/zinc/33/26/38/333332638.db2.gz BPHOLQIPFLWYJG-JTQLQIEISA-N 0 0 266.291 3.771 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1ccc(F)c2ccccc12 ZINC000232689597 333340580 /nfs/dbraw/zinc/34/05/80/333340580.db2.gz IEJHUQGWGFJHBG-LLVKDONJSA-N 0 0 259.324 3.753 10 0 CHAERN c1ccc2c(c1)CCCN2Cc1cccc2c1NCC2 ZINC000130467470 333843532 /nfs/dbraw/zinc/84/35/32/333843532.db2.gz PAHRVPJCAJOBEZ-UHFFFAOYSA-N 0 0 264.372 3.607 10 0 CHAERN CC[C@H]1CN(C(=O)N[C@H](C)c2ccccc2C)CCS1 ZINC000073414572 333972200 /nfs/dbraw/zinc/97/22/00/333972200.db2.gz CPQMWYLWTYRQDM-KGLIPLIRSA-N 0 0 292.448 3.593 10 0 CHAERN CCC1(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000078357521 334131835 /nfs/dbraw/zinc/13/18/35/334131835.db2.gz VSRSVJAKJYLULD-MNOVXSKESA-N 0 0 292.345 3.597 10 0 CHAERN CCC(CC)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000078366876 334132239 /nfs/dbraw/zinc/13/22/39/334132239.db2.gz SBIFFDYUMPDBDC-KOLCDFICSA-N 0 0 280.334 3.595 10 0 CHAERN CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)C(C)C)cc12 ZINC000079411341 334153758 /nfs/dbraw/zinc/15/37/58/334153758.db2.gz UKWMAHKCDHQVKM-SNVBAGLBSA-N 0 0 293.436 3.533 10 0 CHAERN Cc1ccc([C@H](C)NCc2nc3ccccc3[nH]2)cc1F ZINC000136752951 334163167 /nfs/dbraw/zinc/16/31/67/334163167.db2.gz MBISJRMOUQWJGQ-LBPRGKRZSA-N 0 0 283.350 3.861 10 0 CHAERN CC[C@H](C(=O)N[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000246195546 334239721 /nfs/dbraw/zinc/23/97/21/334239721.db2.gz WHZSJOUPOGRROF-ICCXJUOJSA-N 0 0 285.309 3.724 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3CCC[C@H]32)o1 ZINC000247497499 334282772 /nfs/dbraw/zinc/28/27/72/334282772.db2.gz WVDKQXNMAKRJRU-MELADBBJSA-N 0 0 276.380 3.623 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCOC(C)(C)C2)CC(C)(C)C1 ZINC000248536636 334305152 /nfs/dbraw/zinc/30/51/52/334305152.db2.gz GYPWJMRAYXZZPT-MCIONIFRSA-N 0 0 281.440 3.523 10 0 CHAERN O=C(c1scnc1C1CC1)N1CCC[C@@H]1c1ccco1 ZINC000089810895 334351163 /nfs/dbraw/zinc/35/11/63/334351163.db2.gz BCABGGZXBJUVHT-LLVKDONJSA-N 0 0 288.372 3.591 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000251335588 334359918 /nfs/dbraw/zinc/35/99/18/334359918.db2.gz LTNJXCVKKZQUKK-MWDXBVQZSA-N 0 0 295.467 3.745 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000158661482 334808955 /nfs/dbraw/zinc/80/89/55/334808955.db2.gz CMWVFMQJIUKMEB-XJKSGUPXSA-N 0 0 292.448 3.641 10 0 CHAERN CC(C)CCOc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000158778523 334814036 /nfs/dbraw/zinc/81/40/36/334814036.db2.gz QBNQZHMYWKTWPU-CZUORRHYSA-N 0 0 291.391 3.618 10 0 CHAERN Cc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000175756493 335201348 /nfs/dbraw/zinc/20/13/48/335201348.db2.gz NBDULHDZFDQJCG-VIFPVBQESA-N 0 0 292.326 3.863 10 0 CHAERN Cc1ccc(CSCc2nnc(C(C)C)n2C)cc1C ZINC000177368804 335371053 /nfs/dbraw/zinc/37/10/53/335371053.db2.gz VFGZRFAKOWJIHY-UHFFFAOYSA-N 0 0 289.448 3.989 10 0 CHAERN CCc1cc(C)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)o1 ZINC000178370327 335427779 /nfs/dbraw/zinc/42/77/79/335427779.db2.gz IDMBRVVUNZIHSN-JTQLQIEISA-N 0 0 289.297 3.565 10 0 CHAERN CC(C)c1cc(N[C@@H](C)COCc2ccccc2)ncn1 ZINC000361293788 335842983 /nfs/dbraw/zinc/84/29/83/335842983.db2.gz AEANJEPDZFCYRV-AWEZNQCLSA-N 0 0 285.391 3.617 10 0 CHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1sccc1Cl ZINC000194416500 336020614 /nfs/dbraw/zinc/02/06/14/336020614.db2.gz OLLMXKNXGLKZEU-SECBINFHSA-N 0 0 289.828 3.564 10 0 CHAERN CC(=O)c1sc(N(C)[C@@H]2CCCC[C@@H]2C)nc1C ZINC000054863406 518497512 /nfs/dbraw/zinc/49/75/12/518497512.db2.gz CLWSAJOXSFZZQY-JOYOIKCWSA-N 0 0 266.410 3.669 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)CCc1ccco1 ZINC000049569280 519857985 /nfs/dbraw/zinc/85/79/85/519857985.db2.gz KQBMUECMGJIVRE-JTQLQIEISA-N 0 0 265.382 3.851 10 0 CHAERN CCc1nc(N2CCC[C@@H]2C2CCCC2)sc1C=O ZINC000054967604 522385695 /nfs/dbraw/zinc/38/56/95/522385695.db2.gz ZFRPZKGPEWOYGD-CYBMUJFWSA-N 0 0 278.421 3.677 10 0 CHAERN C[C@H]1C(=O)CC[C@H](c2nc(CC3CCC3)no2)C1(C)C ZINC000329626464 534155715 /nfs/dbraw/zinc/15/57/15/534155715.db2.gz VLUDGTSMWIHVPD-CMPLNLGQSA-N 0 0 276.380 3.521 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCOC1 ZINC000388991857 518178527 /nfs/dbraw/zinc/17/85/27/518178527.db2.gz PKBPVJXMQCXMSV-GHMZBOCLSA-N 0 0 273.298 3.932 10 0 CHAERN Cc1cc(N[C@@H](C)c2cccc(Cl)c2)nc(C)n1 ZINC000037981581 518187716 /nfs/dbraw/zinc/18/77/16/518187716.db2.gz UQAAAEINXYTTEU-JTQLQIEISA-N 0 0 261.756 3.920 10 0 CHAERN Cc1ccnc(N[C@H](c2ccccc2)[C@@H]2C[C@@H]2C)n1 ZINC000301250317 518191302 /nfs/dbraw/zinc/19/13/02/518191302.db2.gz BEUYLVARVXVYEE-NILFDRSVSA-N 0 0 253.349 3.594 10 0 CHAERN Brc1ccc2nc(Cc3ccccc3)cn2c1 ZINC000062431866 518217668 /nfs/dbraw/zinc/21/76/68/518217668.db2.gz JSUPMBWLOVQBPB-UHFFFAOYSA-N 0 0 287.160 3.688 10 0 CHAERN Brc1ccc2c(c1)NC[C@H](c1ccccc1)O2 ZINC000062560441 518218259 /nfs/dbraw/zinc/21/82/59/518218259.db2.gz IWQLUXQICMAFOA-CQSZACIVSA-N 0 0 290.160 3.995 10 0 CHAERN CC(=O)c1cc(F)ccc1OCCc1cccs1 ZINC000049585730 518286875 /nfs/dbraw/zinc/28/68/75/518286875.db2.gz JFFLQISNKUMYBW-UHFFFAOYSA-N 0 0 264.321 3.711 10 0 CHAERN CC(=O)c1ccc(OCc2cccs2)c(F)c1 ZINC000049585723 518399239 /nfs/dbraw/zinc/39/92/39/518399239.db2.gz QEKJIFGRPRNQHT-UHFFFAOYSA-N 0 0 250.294 3.669 10 0 CHAERN CC(C)(C(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000062772826 518508063 /nfs/dbraw/zinc/50/80/63/518508063.db2.gz QDPAUSQVQAPQRR-UHFFFAOYSA-N 0 0 256.320 3.915 10 0 CHAERN CC(C)(C)C1CCN(c2ccc(C(N)=S)cc2)CC1 ZINC000050348808 518609608 /nfs/dbraw/zinc/60/96/08/518609608.db2.gz UBPLJNYZSUMNRO-UHFFFAOYSA-N 0 0 276.449 3.583 10 0 CHAERN CSc1ccc([C@H](C)N[C@H](C)c2cc[nH]n2)cc1 ZINC000037907559 519098131 /nfs/dbraw/zinc/09/81/31/519098131.db2.gz AFRVQVLZSNDQHO-WDEREUQCSA-N 0 0 261.394 3.543 10 0 CHAERN CC(C)C[C@H](C)Oc1cccc(Cl)c1C(N)=S ZINC000052908282 519326467 /nfs/dbraw/zinc/32/64/67/519326467.db2.gz HVCQWMTXFAPUOL-VIFPVBQESA-N 0 0 271.813 3.788 10 0 CHAERN CC(=O)Cc1ccc(-c2cccc3cnccc32)o1 ZINC000062770092 519437742 /nfs/dbraw/zinc/43/77/42/519437742.db2.gz NYPUFYUQKVYAJP-UHFFFAOYSA-N 0 0 251.285 3.626 10 0 CHAERN CC(C)N(C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000086340277 519597078 /nfs/dbraw/zinc/59/70/78/519597078.db2.gz ANWXTLHTONYTNB-CYBMUJFWSA-N 0 0 270.376 3.951 10 0 CHAERN CC(C)[C@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)O ZINC000061688635 519816820 /nfs/dbraw/zinc/81/68/20/519816820.db2.gz DGPHVTZUNYZOTM-GWCFXTLKSA-N 0 0 276.298 3.781 10 0 CHAERN CC(C)[C@H](NC(=O)c1sccc1N)c1cccs1 ZINC000049551189 519820448 /nfs/dbraw/zinc/82/04/48/519820448.db2.gz NHKNSDVCHYWXOW-NSHDSACASA-N 0 0 280.418 3.519 10 0 CHAERN CCC1CCC(NC(=O)c2cc(C)ccc2F)CC1 ZINC000053009590 519856130 /nfs/dbraw/zinc/85/61/30/519856130.db2.gz HFJYRWDSMOUNAV-UHFFFAOYSA-N 0 0 263.356 3.833 10 0 CHAERN CC(C)c1nc([C@H]2CCCN2Cc2ccsc2)no1 ZINC000127879411 519868307 /nfs/dbraw/zinc/86/83/07/519868307.db2.gz ZSBMKDNDUSVEGB-GFCCVEGCSA-N 0 0 277.393 3.592 10 0 CHAERN CC(C)c1nc2cc(Br)cc(F)c2o1 ZINC000062538123 519868869 /nfs/dbraw/zinc/86/88/69/519868869.db2.gz QOLCRSPKZSZIPZ-UHFFFAOYSA-N 0 0 258.090 3.853 10 0 CHAERN CCCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000041174410 519910946 /nfs/dbraw/zinc/91/09/46/519910946.db2.gz UKKJAKDSUGNEBX-OAHLLOKOSA-N 0 0 275.392 3.555 10 0 CHAERN CCCNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000050724204 520146782 /nfs/dbraw/zinc/14/67/82/520146782.db2.gz SQIXTFUUCOTISZ-UHFFFAOYSA-N 0 0 260.381 3.571 10 0 CHAERN CCCNc1ccccc1C(=O)N(C)[C@H](C)C(C)C ZINC000050754760 520175219 /nfs/dbraw/zinc/17/52/19/520175219.db2.gz KMDGELPVWKENHD-CYBMUJFWSA-N 0 0 262.397 3.625 10 0 CHAERN CCNc1cc(CC)nc(-c2ccccc2CC)n1 ZINC000052202264 520270784 /nfs/dbraw/zinc/27/07/84/520270784.db2.gz VIWCKMCYIJGHAV-UHFFFAOYSA-N 0 0 255.365 3.700 10 0 CHAERN CCNc1ccc(Cl)c(COc2ccccc2F)n1 ZINC000061640018 520309503 /nfs/dbraw/zinc/30/95/03/520309503.db2.gz BIISASSVPSQHRW-UHFFFAOYSA-N 0 0 280.730 3.885 10 0 CHAERN CCNc1nc(Cc2ccccc2)nc2sccc21 ZINC000050841571 520358715 /nfs/dbraw/zinc/35/87/15/520358715.db2.gz ASWKFSUIYKNNFR-UHFFFAOYSA-N 0 0 269.373 3.714 10 0 CHAERN CCCCOCCNc1ccc(OC)c(Cl)c1 ZINC000049261820 520784676 /nfs/dbraw/zinc/78/46/76/520784676.db2.gz LNXOPYHKDIOTIN-UHFFFAOYSA-N 0 0 257.761 3.577 10 0 CHAERN CCCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127847800 520811861 /nfs/dbraw/zinc/81/18/61/520811861.db2.gz IYEAVWJSXGNRNC-LSDHHAIUSA-N 0 0 293.407 3.847 10 0 CHAERN CC1CCC(CO)(Nc2ncc(Cl)cc2Cl)CC1 ZINC000053109908 520925482 /nfs/dbraw/zinc/92/54/82/520925482.db2.gz IPTBHUKIWLJTEH-UHFFFAOYSA-N 0 0 289.206 3.742 10 0 CHAERN CCC[C@@](C)([NH2+][C@H](c1cccs1)C(C)C)C(=O)[O-] ZINC000049562250 520927229 /nfs/dbraw/zinc/92/72/29/520927229.db2.gz DSVJVBMYOZXCIU-GXTWGEPZSA-N 0 0 269.410 3.678 10 0 CHAERN CCOc1ccc(CC[C@H](O)C(C)(C)C)cc1OCC ZINC000062164884 520956497 /nfs/dbraw/zinc/95/64/97/520956497.db2.gz HKCQMWPDZHNQSY-INIZCTEOSA-N 0 0 280.408 3.824 10 0 CHAERN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([NH+]2CCCCCC2)C1 ZINC000062750344 521212433 /nfs/dbraw/zinc/21/24/33/521212433.db2.gz VAHYFQSQEWAOLS-SOUVJXGZSA-N 0 0 267.413 3.532 10 0 CHAERN CCOc1ccc([C@](C)(O)c2ccccc2Cl)cc1 ZINC000055191159 521277598 /nfs/dbraw/zinc/27/75/98/521277598.db2.gz LSIWBIONWXMDFG-INIZCTEOSA-N 0 0 276.763 3.995 10 0 CHAERN Cc1cccc(-c2nc(C(C)(C)C3CCC3)no2)n1 ZINC000333226943 534555231 /nfs/dbraw/zinc/55/52/31/534555231.db2.gz NGXSPEZNONUVKP-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN CCCc1cc(N)nc(-c2cc(Br)cs2)n1 ZINC000050866578 521365790 /nfs/dbraw/zinc/36/57/90/521365790.db2.gz IDUWXIUDGDIBBK-UHFFFAOYSA-N 0 0 298.209 3.502 10 0 CHAERN CCC(C)(C)c1nn(C)c(N)c1-c1ccc(C)cc1 ZINC000055332753 521373779 /nfs/dbraw/zinc/37/37/79/521373779.db2.gz SNOHIJXAHZTFKJ-UHFFFAOYSA-N 0 0 257.381 3.665 10 0 CHAERN CC(C)(C)C1CCN(c2ncc(Br)cn2)CC1 ZINC000104381760 534559672 /nfs/dbraw/zinc/55/96/72/534559672.db2.gz LLGJOWPWVDYOOE-UHFFFAOYSA-N 0 0 298.228 3.502 10 0 CHAERN CCOc1cccc(Oc2cc(C)nc(Cl)n2)c1 ZINC000052814052 521403763 /nfs/dbraw/zinc/40/37/63/521403763.db2.gz DGHHRLHXUQRGIV-UHFFFAOYSA-N 0 0 264.712 3.629 10 0 CHAERN CCCc1nc(N(C)c2cccc(F)c2)sc1C=O ZINC000054967724 521529553 /nfs/dbraw/zinc/52/95/53/521529553.db2.gz FMVXJPRRDPFMNI-UHFFFAOYSA-N 0 0 278.352 3.815 10 0 CHAERN CCOc1ccccc1Oc1cc(C)nc(Cl)n1 ZINC000052813943 521568785 /nfs/dbraw/zinc/56/87/85/521568785.db2.gz JDUTZKPVKHKEHX-UHFFFAOYSA-N 0 0 264.712 3.629 10 0 CHAERN CC[C@@H](C)SCc1cc2ccc(OC)cc2nc1N ZINC000050837432 522274034 /nfs/dbraw/zinc/27/40/34/522274034.db2.gz AJADRGCNIDUVAW-SNVBAGLBSA-N 0 0 276.405 3.857 10 0 CHAERN CCc1nc(N)sc1Cc1ccc(C)c(Cl)c1 ZINC000050266352 522382802 /nfs/dbraw/zinc/38/28/02/522382802.db2.gz QDPLHMYJBBYFFC-UHFFFAOYSA-N 0 0 266.797 3.840 10 0 CHAERN CC[C@@H](C)c1ccccc1NC(=O)c1cscn1 ZINC000062660044 522433497 /nfs/dbraw/zinc/43/34/97/522433497.db2.gz PBSFQSNTHPQMFP-SNVBAGLBSA-N 0 0 260.362 3.909 10 0 CHAERN CC[C@@H](C)c1noc(N)c1-c1cc(F)cc(F)c1 ZINC000049351199 522448421 /nfs/dbraw/zinc/44/84/21/522448421.db2.gz QLSMRFVKMGNAHH-SSDOTTSWSA-N 0 0 252.264 3.716 10 0 CHAERN COC[C@H](C)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000103372850 522546474 /nfs/dbraw/zinc/54/64/74/522546474.db2.gz IQMKPLKHSRUPLG-RYUDHWBXSA-N 0 0 295.810 3.675 10 0 CHAERN CNc1cc(C(C)C)nc2c(F)cc(F)c(F)c12 ZINC000061095092 522563097 /nfs/dbraw/zinc/56/30/97/522563097.db2.gz ILUPUXGCCTWSIX-UHFFFAOYSA-N 0 0 254.255 3.817 10 0 CHAERN CNc1ccc(C(=O)N(C)C2CCCCCC2)cc1 ZINC000050769165 522578954 /nfs/dbraw/zinc/57/89/54/522578954.db2.gz KQERSIOYRCVEJK-UHFFFAOYSA-N 0 0 260.381 3.523 10 0 CHAERN CNc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)cc1 ZINC000050787934 522597115 /nfs/dbraw/zinc/59/71/15/522597115.db2.gz PBRLHWUNOCFEDR-UHFFFAOYSA-N 0 0 278.714 3.773 10 0 CHAERN CCc1ncnc(Oc2ccc(C(C)=O)cc2Cl)c1F ZINC000120381301 522612815 /nfs/dbraw/zinc/61/28/15/522612815.db2.gz GKQXHFMIYMKKNB-UHFFFAOYSA-N 0 0 294.713 3.826 10 0 CHAERN CNc1ccc(Cl)c(CO[C@H]2CCC[C@@H](C)C2)n1 ZINC000061640387 522624925 /nfs/dbraw/zinc/62/49/25/522624925.db2.gz UWKYRYAQOVOJDQ-MNOVXSKESA-N 0 0 268.788 3.872 10 0 CHAERN Clc1ccccc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114203161 534649116 /nfs/dbraw/zinc/64/91/16/534649116.db2.gz HCCRFYRYSBWQBY-OAHLLOKOSA-N 0 0 275.783 3.790 10 0 CHAERN CC[C@H]([NH2+][C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000049356100 522686026 /nfs/dbraw/zinc/68/60/26/522686026.db2.gz YRWBARCVYIQITD-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CNc1ncccc1CO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000052755066 522709860 /nfs/dbraw/zinc/70/98/60/522709860.db2.gz DLSWNPWHETVVRY-GXTWGEPZSA-N 0 0 262.397 3.855 10 0 CHAERN CC[C@H](Nc1ccc(C(N)=S)cc1Cl)C(C)C ZINC000062795502 522767224 /nfs/dbraw/zinc/76/72/24/522767224.db2.gz XJIGGKVGCASITB-NSHDSACASA-N 0 0 270.829 3.821 10 0 CHAERN CC[C@H](Sc1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000110715081 522922422 /nfs/dbraw/zinc/92/24/22/522922422.db2.gz JFFKVQZKDBGFDF-JSGCOSHPSA-N 0 0 295.473 3.521 10 0 CHAERN COCCC1(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000151703969 523057833 /nfs/dbraw/zinc/05/78/33/523057833.db2.gz OYTVKWRVJLKTIJ-CVEARBPZSA-N 0 0 293.451 3.526 10 0 CHAERN CC[C@H]1CCCN1c1ccc([C@@H](C)O)cc1Br ZINC000061695766 523113008 /nfs/dbraw/zinc/11/30/08/523113008.db2.gz ACXJFMLWXLHLGQ-PWSUYJOCSA-N 0 0 298.224 3.881 10 0 CHAERN COc1ccc(-c2ccc(OC)c(Cl)c2)cc1N ZINC000049591147 523136234 /nfs/dbraw/zinc/13/62/34/523136234.db2.gz LYBSDZIMNADLNZ-UHFFFAOYSA-N 0 0 263.724 3.606 10 0 CHAERN COc1ccc(Br)cc1C[C@H](O)C1CCCC1 ZINC000049598669 523503335 /nfs/dbraw/zinc/50/33/35/523503335.db2.gz AWMTUXTWVZEUCR-ZDUSSCGKSA-N 0 0 299.208 3.551 10 0 CHAERN COc1ccc(C)cc1[C@H](O)c1ccc(Cl)s1 ZINC000051173005 523860423 /nfs/dbraw/zinc/86/04/23/523860423.db2.gz AJRVGWQQJIITKN-ZDUSSCGKSA-N 0 0 268.765 3.800 10 0 CHAERN CC[C@H](C)CNc1ccc(C(F)(F)F)cc1C(N)=S ZINC000054474723 523887576 /nfs/dbraw/zinc/88/75/76/523887576.db2.gz QKIKLRSQRBYIJF-QMMMGPOBSA-N 0 0 290.354 3.798 10 0 CHAERN COc1ccc(CC(=O)c2ccccc2Cl)cc1F ZINC000053780315 523912464 /nfs/dbraw/zinc/91/24/64/523912464.db2.gz FOCFSFGZESAZSQ-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN CCc1ccc(N(C)c2nc(C)c([C@H](C)O)s2)cc1 ZINC000054927948 523959508 /nfs/dbraw/zinc/95/95/08/523959508.db2.gz DHQQPQSZRSCROJ-NSHDSACASA-N 0 0 276.405 3.835 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C2CCC2)o1 ZINC000128483422 524034657 /nfs/dbraw/zinc/03/46/57/524034657.db2.gz QHDBCFBZAIYHTC-AWEZNQCLSA-N 0 0 261.365 3.696 10 0 CHAERN CCc1cccc(CC)c1N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054603094 524067394 /nfs/dbraw/zinc/06/73/94/524067394.db2.gz PYLQPHFSTYFKCW-GASCZTMLSA-N 0 0 257.377 3.512 10 0 CHAERN Cc1cccc(-c2noc(NCc3ccccc3)n2)c1 ZINC000057354069 524134305 /nfs/dbraw/zinc/13/43/05/524134305.db2.gz XKWORKQHZCFJTR-UHFFFAOYSA-N 0 0 265.316 3.657 10 0 CHAERN C[C@H]1CCC[C@@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052904711 524151844 /nfs/dbraw/zinc/15/18/44/524151844.db2.gz COVYTPLHJAHIEF-VHSXEESVSA-N 0 0 282.840 3.965 10 0 CHAERN C[C@H]1CCC[C@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052904707 524209859 /nfs/dbraw/zinc/20/98/59/524209859.db2.gz COVYTPLHJAHIEF-UWVGGRQHSA-N 0 0 282.840 3.965 10 0 CHAERN C[C@@H]1CCCN(CC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000050565843 524219718 /nfs/dbraw/zinc/21/97/18/524219718.db2.gz HNOMKXBDPMLVRP-VXGBXAGGSA-N 0 0 265.784 3.643 10 0 CHAERN COc1ccc(Cl)cc1[C@H](O)Cc1ccsc1 ZINC000062137425 524254231 /nfs/dbraw/zinc/25/42/31/524254231.db2.gz BNZQVXQQMHAKNV-GFCCVEGCSA-N 0 0 268.765 3.686 10 0 CHAERN COc1ccc(Cl)cc1[C@@]1(O)CCc2ccccc21 ZINC000055190324 524253933 /nfs/dbraw/zinc/25/39/33/524253933.db2.gz IMTHEVUNVDHHMV-MRXNPFEDSA-N 0 0 274.747 3.531 10 0 CHAERN COc1ccc(Cl)cc1[C@]1(O)CCc2ccccc21 ZINC000055190322 524256521 /nfs/dbraw/zinc/25/65/21/524256521.db2.gz IMTHEVUNVDHHMV-INIZCTEOSA-N 0 0 274.747 3.531 10 0 CHAERN C[C@@H]1CCC[C@H](CCN2CCO[C@H](c3nccs3)C2)C1 ZINC000150946328 524371203 /nfs/dbraw/zinc/37/12/03/524371203.db2.gz BFPXVGDOLSUJIQ-KFWWJZLASA-N 0 0 294.464 3.733 10 0 CHAERN C[C@@H]1CCC[C@H](SCc2nc3cc(N)ccc3[nH]2)C1 ZINC000054689616 524412619 /nfs/dbraw/zinc/41/26/19/524412619.db2.gz QZSQQBPWYSWIFU-PWSUYJOCSA-N 0 0 275.421 3.957 10 0 CHAERN Cc1cc(C)cc(NCC(=O)c2ccc(F)cc2)c1 ZINC000045929538 524435753 /nfs/dbraw/zinc/43/57/53/524435753.db2.gz YOCMJGBPESPPBJ-UHFFFAOYSA-N 0 0 257.308 3.737 10 0 CHAERN Cc1cc(C)cc(NC(=O)c2cccc3c2NCCC3)c1 ZINC000050957455 524436977 /nfs/dbraw/zinc/43/69/77/524436977.db2.gz NWQPZHGNWPACTB-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN Cc1ccc(CN2CCCC[C@H]2c2nccs2)o1 ZINC000127648991 524445075 /nfs/dbraw/zinc/44/50/75/524445075.db2.gz FKFRBNOPBUGXNN-ZDUSSCGKSA-N 0 0 262.378 3.772 10 0 CHAERN COc1ccccc1C[C@H](O)c1ccc(C)c(Cl)c1 ZINC000063022666 524512886 /nfs/dbraw/zinc/51/28/86/524512886.db2.gz XNGNYSFQUQDMDP-HNNXBMFYSA-N 0 0 276.763 3.933 10 0 CHAERN COc1ccc(NCCOCCC(C)C)cc1Cl ZINC000049265401 524676918 /nfs/dbraw/zinc/67/69/18/524676918.db2.gz JMLCRUDDQUVQIJ-UHFFFAOYSA-N 0 0 271.788 3.823 10 0 CHAERN COc1ccccc1Oc1ccc(Cl)cc1C(N)=S ZINC000052859273 524696667 /nfs/dbraw/zinc/69/66/67/524696667.db2.gz NRYIDIDFYWZOJU-UHFFFAOYSA-N 0 0 293.775 3.775 10 0 CHAERN COc1ccc(N[C@H](C)Cc2ccco2)cc1Cl ZINC000062769458 524707873 /nfs/dbraw/zinc/70/78/73/524707873.db2.gz DSSZRZIFJCZDRN-SNVBAGLBSA-N 0 0 265.740 3.985 10 0 CHAERN Cc1ccc(F)c(-c2n[nH]c(-c3ccccc3)n2)c1 ZINC000052984442 524780496 /nfs/dbraw/zinc/78/04/96/524780496.db2.gz KJOSDRLZUXTALJ-UHFFFAOYSA-N 0 0 253.280 3.586 10 0 CHAERN Cc1cc(CSCCCOCCc2ccccc2)no1 ZINC000101585113 524815944 /nfs/dbraw/zinc/81/59/44/524815944.db2.gz JWQSLEOZADBTGZ-UHFFFAOYSA-N 0 0 291.416 3.866 10 0 CHAERN Cc1ccc(F)c([C@H](O)c2cc3ccccc3o2)c1 ZINC000062797281 524835809 /nfs/dbraw/zinc/83/58/09/524835809.db2.gz REHYQDGPRNIJJC-INIZCTEOSA-N 0 0 256.276 3.962 10 0 CHAERN Cc1ccc(F)c([C@@H](O)c2cc3ccccc3o2)c1 ZINC000062797282 524836286 /nfs/dbraw/zinc/83/62/86/524836286.db2.gz REHYQDGPRNIJJC-MRXNPFEDSA-N 0 0 256.276 3.962 10 0 CHAERN Cc1ccc(F)cc1C(=O)c1cc(F)ccc1F ZINC000055242916 524850291 /nfs/dbraw/zinc/85/02/91/524850291.db2.gz QZOHGAQBHYWHTM-UHFFFAOYSA-N 0 0 250.219 3.643 10 0 CHAERN C[C@H]1C[C@@H]1c1[nH]nc(N)c1-c1ccccc1Br ZINC000055333988 524861437 /nfs/dbraw/zinc/86/14/37/524861437.db2.gz WTIINLSFYIZKGM-CBAPKCEASA-N 0 0 292.180 3.545 10 0 CHAERN C[C@@H](Cc1cccs1)Nc1nncc2ccccc21 ZINC000070140889 524934319 /nfs/dbraw/zinc/93/43/19/524934319.db2.gz GBNNZBZOPWFKTD-NSHDSACASA-N 0 0 269.373 3.734 10 0 CHAERN Cc1cc(N(Cc2cccs2)C(C)C)nc(Cl)n1 ZINC000052814583 525034093 /nfs/dbraw/zinc/03/40/93/525034093.db2.gz ZPWHRWLQSNZHFL-UHFFFAOYSA-N 0 0 281.812 3.915 10 0 CHAERN Cc1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117721817 525043212 /nfs/dbraw/zinc/04/32/12/525043212.db2.gz CDVXGGCYGNRMOZ-UHFFFAOYSA-N 0 0 283.396 3.986 10 0 CHAERN Cc1ccccc1COc1cccc2c1CC[C@H]2O ZINC000062800997 525174539 /nfs/dbraw/zinc/17/45/39/525174539.db2.gz HTOKDOBPQONCLU-MRXNPFEDSA-N 0 0 254.329 3.554 10 0 CHAERN Cc1cc(NC[C@@H](O)c2ccccc2Cl)ccc1F ZINC000061097404 525272893 /nfs/dbraw/zinc/27/28/93/525272893.db2.gz DONJWKABCFXGJT-OAHLLOKOSA-N 0 0 279.742 3.933 10 0 CHAERN Cc1cc(N[C@H](c2cccs2)C(C)C)nc(C)n1 ZINC000049558310 525302090 /nfs/dbraw/zinc/30/20/90/525302090.db2.gz YQFXBNFTXWAPCZ-AWEZNQCLSA-N 0 0 261.394 3.964 10 0 CHAERN COc1ccc([C@H](O)c2cc(C)ccc2F)c(C)c1 ZINC000052998881 525379251 /nfs/dbraw/zinc/37/92/51/525379251.db2.gz IVMBIYARXJZCAB-INIZCTEOSA-N 0 0 260.308 3.533 10 0 CHAERN Cc1cc2c(n1[C@H](C)c1ccsc1)CCC[C@H]2O ZINC000061367058 525621779 /nfs/dbraw/zinc/62/17/79/525621779.db2.gz YDIMLRANZDOFPA-IAQYHMDHSA-N 0 0 261.390 3.837 10 0 CHAERN C[C@H](Nc1ccc(C(N)=S)cc1)C1CCCCC1 ZINC000052343435 525649443 /nfs/dbraw/zinc/64/94/43/525649443.db2.gz ZPTOVXMXOYARGZ-NSHDSACASA-N 0 0 262.422 3.702 10 0 CHAERN CSC[C@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000066755187 525671589 /nfs/dbraw/zinc/67/15/89/525671589.db2.gz HJQHAXHCCOYSTQ-UWVGGRQHSA-N 0 0 271.813 3.516 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cc(C)nc(Cl)n2)cc1 ZINC000052814681 525753094 /nfs/dbraw/zinc/75/30/94/525753094.db2.gz PPIZOKKHYPFBSY-LLVKDONJSA-N 0 0 261.756 3.920 10 0 CHAERN CS[C@@H](C)CC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000123682660 525786211 /nfs/dbraw/zinc/78/62/11/525786211.db2.gz QCWRKOVPLIEPPU-QWHCGFSZSA-N 0 0 281.421 3.783 10 0 CHAERN Cc1c(N)cccc1Nc1ccc(F)c(F)c1F ZINC000062724388 525821945 /nfs/dbraw/zinc/82/19/45/525821945.db2.gz IVDSFYNNIUHKGZ-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN C[C@@H](O)Cc1ccc(-c2cc(Cl)ccc2F)o1 ZINC000062771382 525844411 /nfs/dbraw/zinc/84/44/11/525844411.db2.gz MUJZQDBACURYIQ-MRVPVSSYSA-N 0 0 254.688 3.662 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1cccc(F)c1F ZINC000062615830 525851201 /nfs/dbraw/zinc/85/12/01/525851201.db2.gz YLXQFPOXVJEUTK-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)C2)c(Br)c1 ZINC000061694695 525870270 /nfs/dbraw/zinc/87/02/70/525870270.db2.gz WVZLIRNIROUULO-WDEREUQCSA-N 0 0 298.224 3.739 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)o1 ZINC000057465500 525905085 /nfs/dbraw/zinc/90/50/85/525905085.db2.gz ALBBNDMNJHKJHO-UONOGXRCSA-N 0 0 287.359 3.541 10 0 CHAERN Cc1ccc([C@H](C)Nc2c(F)cc(N)cc2F)o1 ZINC000049194193 525948015 /nfs/dbraw/zinc/94/80/15/525948015.db2.gz MTMRXNYTZWRWAY-QMMMGPOBSA-N 0 0 252.264 3.622 10 0 CHAERN CSc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000150880420 526015663 /nfs/dbraw/zinc/01/56/63/526015663.db2.gz VRILQCFELLIMQI-KCJUWKMLSA-N 0 0 285.796 3.568 10 0 CHAERN C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(N)cn1 ZINC000062014017 526069501 /nfs/dbraw/zinc/06/95/01/526069501.db2.gz WRLIDFMVNVMCPN-JTQLQIEISA-N 0 0 261.756 3.515 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(C)c(C)cc2N)cc1C ZINC000050439069 526217816 /nfs/dbraw/zinc/21/78/16/526217816.db2.gz ZQDDLGAUCJKIJD-UHFFFAOYSA-N 0 0 268.360 3.755 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2ccc(F)c(C)c2)c1 ZINC000061120044 526254983 /nfs/dbraw/zinc/25/49/83/526254983.db2.gz YYVPUXMJLZFYJM-UHFFFAOYSA-N 0 0 274.364 3.820 10 0 CHAERN Cc1nn(Cc2ccc(F)cc2Br)c(C)c1C ZINC000049600696 526292133 /nfs/dbraw/zinc/29/21/33/526292133.db2.gz PGDDHAQTGAULKX-UHFFFAOYSA-N 0 0 297.171 3.758 10 0 CHAERN O[C@H](c1cccc(F)c1)C1(c2ccccc2)CCC1 ZINC000062780885 526301186 /nfs/dbraw/zinc/30/11/86/526301186.db2.gz LCZHLSWGXHMWNJ-MRXNPFEDSA-N 0 0 256.320 3.981 10 0 CHAERN O[C@H]1CCCCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703778 526302657 /nfs/dbraw/zinc/30/26/57/526302657.db2.gz XOWYYNWGBQEWBS-STQMWFEESA-N 0 0 274.282 3.994 10 0 CHAERN Cc1csc(Cc2nc(-c3ccc(N)cc3)cs2)n1 ZINC000055269575 526368107 /nfs/dbraw/zinc/36/81/07/526368107.db2.gz BSHGDQSHKSCOOV-UHFFFAOYSA-N 0 0 287.413 3.748 10 0 CHAERN c1cc(N[C@@H]2CCCSC2)cc(N2CCCC2)c1 ZINC000061588477 526434658 /nfs/dbraw/zinc/43/46/58/526434658.db2.gz AHEKLVMBEVMEMO-CQSZACIVSA-N 0 0 262.422 3.594 10 0 CHAERN Cc1nc(C)c([C@@H](C)n2c(=S)[nH]nc2C2CC2)s1 ZINC000049534030 526747050 /nfs/dbraw/zinc/74/70/50/526747050.db2.gz NCCGUZMYNGKRPT-SSDOTTSWSA-N 0 0 280.422 3.501 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2cn(C)nc2C(C)C)s1 ZINC000280993038 526747287 /nfs/dbraw/zinc/74/72/87/526747287.db2.gz XBBGFEWTBPHZMY-SNVBAGLBSA-N 0 0 278.425 3.790 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2cccc(N)c2C)s1 ZINC000062725012 526756730 /nfs/dbraw/zinc/75/67/30/526756730.db2.gz MKHPIVRMAXYCLY-JTQLQIEISA-N 0 0 261.394 3.824 10 0 CHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccoc1 ZINC000151740896 526880728 /nfs/dbraw/zinc/88/07/28/526880728.db2.gz CZDKOTVBGCBVOX-OAHLLOKOSA-N 0 0 297.354 3.846 10 0 CHAERN Cc1nc(Cc2c(Cl)cccc2Cl)ncc1[C@H](C)O ZINC000054963235 526926420 /nfs/dbraw/zinc/92/64/20/526926420.db2.gz WJTYUCAOUXAGKL-VIFPVBQESA-N 0 0 297.185 3.736 10 0 CHAERN Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@H](C)O ZINC000062608698 526928129 /nfs/dbraw/zinc/92/81/29/526928129.db2.gz UJEJYPIMAVMGFF-QMMMGPOBSA-N 0 0 285.771 3.888 10 0 CHAERN Clc1ccc(-n2ccnc2Br)c(Cl)c1 ZINC000057604957 526939150 /nfs/dbraw/zinc/93/91/50/526939150.db2.gz KWPWVXVSPVFXSR-UHFFFAOYSA-N 0 0 291.963 3.942 10 0 CHAERN Cc1nc(N2CCCc3ccccc32)sc1[C@@H](C)O ZINC000054910177 526966976 /nfs/dbraw/zinc/96/69/76/526966976.db2.gz XQQAHYZODJSTQT-LLVKDONJSA-N 0 0 274.389 3.589 10 0 CHAERN O=C(Cc1ccsc1)Cc1c(F)cccc1Cl ZINC000062351763 527316559 /nfs/dbraw/zinc/31/65/59/527316559.db2.gz HEXKGQIIGAVMJF-UHFFFAOYSA-N 0 0 268.740 3.895 10 0 CHAERN Cc1nccc(CNc2ccccc2SC(F)F)n1 ZINC000054790008 527341509 /nfs/dbraw/zinc/34/15/09/527341509.db2.gz OCPGXMLGPHERRP-UHFFFAOYSA-N 0 0 281.331 3.712 10 0 CHAERN CC(C)(c1noc(-c2noc3c2CCCC3)n1)C1CCC1 ZINC000333231698 527382321 /nfs/dbraw/zinc/38/23/21/527382321.db2.gz OGWCCNGSEWSDCW-UHFFFAOYSA-N 0 0 287.363 3.681 10 0 CHAERN Cc1nccn1CCNc1cc(Cl)cc(Cl)c1 ZINC000049329812 527432794 /nfs/dbraw/zinc/43/27/94/527432794.db2.gz MLPPYVBUXDQDGO-UHFFFAOYSA-N 0 0 270.163 3.610 10 0 CHAERN Nc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000057624627 527441823 /nfs/dbraw/zinc/44/18/23/527441823.db2.gz VGVLRLZTTLUKDZ-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Nc1ccc2c(c1)nc(C(F)(F)F)n2C1CCCC1 ZINC000052842093 527507493 /nfs/dbraw/zinc/50/74/93/527507493.db2.gz BSMRVZJINKMQRW-UHFFFAOYSA-N 0 0 269.270 3.752 10 0 CHAERN Nc1ccc2nc(Sc3ncccc3F)sc2c1 ZINC000054701163 527510697 /nfs/dbraw/zinc/51/06/97/527510697.db2.gz WCTJZWCNPXBNDC-UHFFFAOYSA-N 0 0 277.349 3.564 10 0 CHAERN Cc1nn(-c2ccc([C@H](C)O)cc2Cl)c(C)c1C ZINC000061697232 527532284 /nfs/dbraw/zinc/53/22/84/527532284.db2.gz WFZFCDQSSQPZCA-NSHDSACASA-N 0 0 264.756 3.504 10 0 CHAERN OCc1c(Cl)n(C2CCCCCC2)nc1C(F)F ZINC000061629134 527630173 /nfs/dbraw/zinc/63/01/73/527630173.db2.gz CBQUJOWJTVZVOI-UHFFFAOYSA-N 0 0 278.730 3.862 10 0 CHAERN O[C@@H](Cc1cccc(F)c1)c1cc2ccccc2o1 ZINC000062141563 527664339 /nfs/dbraw/zinc/66/43/39/527664339.db2.gz PUYOJZXVRUFTHA-AWEZNQCLSA-N 0 0 256.276 3.848 10 0 CHAERN FC(F)(F)c1ccc(Oc2cc(Cl)ncn2)cc1 ZINC000048631023 527684082 /nfs/dbraw/zinc/68/40/82/527684082.db2.gz VQCPAZZUYOQIMW-UHFFFAOYSA-N 0 0 274.629 3.941 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000087406772 527700623 /nfs/dbraw/zinc/70/06/23/527700623.db2.gz VPMKHFBGWIYZTD-VIFPVBQESA-N 0 0 299.296 3.800 10 0 CHAERN CC(C)c1cc(N[C@H]2CCc3ccccc32)ncn1 ZINC000346623456 528052591 /nfs/dbraw/zinc/05/25/91/528052591.db2.gz YUZAGMPVNNSRMH-AWEZNQCLSA-N 0 0 253.349 3.699 10 0 CHAERN CCCc1nnc(N[C@@H]2CCO[C@@H](C(CC)CC)C2)s1 ZINC000302032929 528778244 /nfs/dbraw/zinc/77/82/44/528778244.db2.gz IZKOGHLQOWGJRE-CHWSQXEVSA-N 0 0 297.468 3.886 10 0 CHAERN Cc1ccc(C(=O)c2cc(Br)sc2N)cc1 ZINC000098209779 567911549 /nfs/dbraw/zinc/91/15/49/567911549.db2.gz QTEBINMAKHPQOA-UHFFFAOYSA-N 0 0 296.189 3.632 10 0 CHAERN Clc1ccc(CCc2cc(Br)ncn2)cc1 ZINC000409429513 567899696 /nfs/dbraw/zinc/89/96/96/567899696.db2.gz JTUUBUVKBAAHMY-UHFFFAOYSA-N 0 0 297.583 3.678 10 0 CHAERN CCC(CC)(NC(=O)OC(C)(C)C)c1ccc(N)cc1 ZINC000685948730 570405740 /nfs/dbraw/zinc/40/57/40/570405740.db2.gz DVLJNVVVRORXRV-UHFFFAOYSA-N 0 0 278.396 3.809 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O ZINC000013546212 560219580 /nfs/dbraw/zinc/21/95/80/560219580.db2.gz RHVBIEJVJWNXBU-XZVKZCCLSA-N 0 0 276.420 3.569 10 0 in-vitro CHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1ccccc1Br ZINC000083000441 566962710 /nfs/dbraw/zinc/96/27/10/566962710.db2.gz JTMPGQGPBHAXQN-KCJUWKMLSA-N 0 0 285.206 3.909 10 0 CHAERN Cc1cc2cccc(Br)c2c(Cl)n1 ZINC000125296969 567018914 /nfs/dbraw/zinc/01/89/14/567018914.db2.gz MDVGMFRPDQSUCP-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1sccc1C=C1CN(C(=O)OC(C)(C)C)C1 ZINC000675055926 567020616 /nfs/dbraw/zinc/02/06/16/567020616.db2.gz DKBMLNNFLFSBIO-UHFFFAOYSA-N 0 0 265.378 3.691 10 0 CHAERN Nc1ccc(Br)cc1NC1CCCCC1 ZINC000083730619 567028099 /nfs/dbraw/zinc/02/80/99/567028099.db2.gz DPAABEDQHVXBTM-UHFFFAOYSA-N 0 0 269.186 3.776 10 0 CHAERN O=C(Nc1cccc(Cl)c1)SC1=NCCS1 ZINC000048547265 567090105 /nfs/dbraw/zinc/09/01/05/567090105.db2.gz KVGISEGEEIEYQM-UHFFFAOYSA-N 0 0 272.782 3.708 10 0 CHAERN CCC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1 ZINC000048523966 567090301 /nfs/dbraw/zinc/09/03/01/567090301.db2.gz BAQXHCOBLUNTHN-QQWZAAIYSA-N 0 0 294.354 3.601 10 0 CHAERN CCCc1nc2cc(Br)ccc2cc1O ZINC000685962980 567210567 /nfs/dbraw/zinc/21/05/67/567210567.db2.gz CORDOEOMWXXRMN-UHFFFAOYSA-N 0 0 266.138 3.655 10 0 CHAERN Oc1cc2c(Br)cccc2nc1C1CCC1 ZINC000685963608 567210615 /nfs/dbraw/zinc/21/06/15/567210615.db2.gz UCCAQYUUFUBXEC-UHFFFAOYSA-N 0 0 278.149 3.970 10 0 CHAERN Cc1ccc(COc2ccc([C@H](C)O)cc2F)cc1 ZINC000058823259 567217968 /nfs/dbraw/zinc/21/79/68/567217968.db2.gz IXFUYKPHIYUFFJ-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000117681 567818759 /nfs/dbraw/zinc/81/87/59/567818759.db2.gz QPUBAQHSJFYHIW-CWSCBRNRSA-N 0 0 278.808 3.591 10 0 CHAERN O=C(Sc1cccs1)[C@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000004389788 567857550 /nfs/dbraw/zinc/85/75/50/567857550.db2.gz OOQMTHYNAWINFS-VWYCJHECSA-N 0 0 250.388 3.969 10 0 CHAERN CSc1ccc(CNCc2nc3ccccc3[nH]2)cc1 ZINC000048409125 567892681 /nfs/dbraw/zinc/89/26/81/567892681.db2.gz DFFDWGGQKBFQOR-UHFFFAOYSA-N 0 0 283.400 3.575 10 0 CHAERN O=Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000075729120 567894287 /nfs/dbraw/zinc/89/42/87/567894287.db2.gz BWWFUBVDQBPIDJ-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN CC(C)Oc1ccccc1CNCc1nc2ccccc2[nH]1 ZINC000057353420 567895081 /nfs/dbraw/zinc/89/50/81/567895081.db2.gz VQSMCKJGSCIJPU-UHFFFAOYSA-N 0 0 295.386 3.640 10 0 CHAERN CCCOc1ccc(CNCc2nc3ccccc3[nH]2)cc1 ZINC000057353417 567895181 /nfs/dbraw/zinc/89/51/81/567895181.db2.gz FXIWHWUWAFDFJU-UHFFFAOYSA-N 0 0 295.386 3.642 10 0 CHAERN Cc1nc(Cl)cc(-c2ccccc2Br)n1 ZINC000123213238 567899551 /nfs/dbraw/zinc/89/95/51/567899551.db2.gz VFJNUACENNOMMR-UHFFFAOYSA-N 0 0 283.556 3.868 10 0 CHAERN CC[C@@H](c1ccccc1)c1cc(Br)ncn1 ZINC000409429213 567899735 /nfs/dbraw/zinc/89/97/35/567899735.db2.gz IRZZIKSDUXSJHI-NSHDSACASA-N 0 0 277.165 3.781 10 0 CHAERN CCC(C)(C)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725246300 567908349 /nfs/dbraw/zinc/90/83/49/567908349.db2.gz UMHMJPZVEMEMPD-UHFFFAOYSA-N 0 0 263.772 3.948 10 0 CHAERN CC[C@@H](C)c1nc2cc(C3CC3)cc(Br)n2n1 ZINC000725247884 567908425 /nfs/dbraw/zinc/90/84/25/567908425.db2.gz CAMTVMJKLVBABP-MRVPVSSYSA-N 0 0 294.196 3.883 10 0 CHAERN COc1cccc2c1N[C@@H](C)C[C@@H]2CC(=O)OC(C)(C)C ZINC000725253670 567911290 /nfs/dbraw/zinc/91/12/90/567911290.db2.gz DSZJNZXOYZERAU-NWDGAFQWSA-N 0 0 291.391 3.715 10 0 CHAERN C[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)c2cccc(F)c2N1 ZINC000725254010 567912797 /nfs/dbraw/zinc/91/27/97/567912797.db2.gz ZKHCKDIWTZBJSK-MNOVXSKESA-N 0 0 279.355 3.845 10 0 CHAERN C[C@@H]1CCCN(c2cc(N)ccc2C(F)(F)F)C1 ZINC000725263602 567923053 /nfs/dbraw/zinc/92/30/53/567923053.db2.gz UOVQDPOWYWRBJG-SECBINFHSA-N 0 0 258.287 3.524 10 0 CHAERN C[C@@H]1[C@@H](C)CCCN1c1cc(N)ccc1C(F)(F)F ZINC000725263644 567923071 /nfs/dbraw/zinc/92/30/71/567923071.db2.gz YFEOCEOYEHITLI-VHSXEESVSA-N 0 0 272.314 3.912 10 0 CHAERN C[C@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265660 567923523 /nfs/dbraw/zinc/92/35/23/567923523.db2.gz SAFOCSMACPCYKK-VIFPVBQESA-N 0 0 291.192 3.964 10 0 CHAERN CC[C@@H](C)CC1N=NC(=S)N1C1CCCCC1 ZINC000725265890 567923534 /nfs/dbraw/zinc/92/35/34/567923534.db2.gz TXTAALCFRFCMMA-SNVBAGLBSA-N 0 0 253.415 3.661 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(Cl)nc2)n1 ZINC000725269842 567924391 /nfs/dbraw/zinc/92/43/91/567924391.db2.gz DUMYFOFJPZNODA-UHFFFAOYSA-N 0 0 257.671 3.556 10 0 CHAERN Cc1n[nH]c(C)c1Sc1ccc(Br)cc1 ZINC000000189881 567935302 /nfs/dbraw/zinc/93/53/02/567935302.db2.gz AXFUGYCOKDZROG-UHFFFAOYSA-N 0 0 283.194 3.940 10 0 CHAERN Cc1ccc(-c2cn3cc(C)cc(Br)c3n2)o1 ZINC000409436670 567956381 /nfs/dbraw/zinc/95/63/81/567956381.db2.gz SAAUXUNUYTWLIR-UHFFFAOYSA-N 0 0 291.148 3.974 10 0 CHAERN Cc1nn(C(C)C)cc1NCc1ccc(Br)o1 ZINC000725242502 570254879 /nfs/dbraw/zinc/25/48/79/570254879.db2.gz LKIKJOKSQDIEPT-UHFFFAOYSA-N 0 0 298.184 3.740 10 0 CHAERN Cc1nn(C(C)C)cc1NCc1ccc(F)c(C)c1 ZINC000725242476 570254796 /nfs/dbraw/zinc/25/47/96/570254796.db2.gz IVOMTWASEQIFHG-UHFFFAOYSA-N 0 0 261.344 3.832 10 0 CHAERN CCC(CC)c1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243335 570255223 /nfs/dbraw/zinc/25/52/23/570255223.db2.gz XVAKVJUPPSIIFW-UHFFFAOYSA-N 0 0 261.369 3.636 10 0 CHAERN C[C@@H](n1nc(-c2ccnn2C)cc1Cl)C(C)(C)C ZINC000725256912 570259612 /nfs/dbraw/zinc/25/96/12/570259612.db2.gz DBZVLTXWIHFKFB-SECBINFHSA-N 0 0 266.776 3.544 10 0 CHAERN CCCc1ccc(-c2cc(Br)ncn2)cc1 ZINC000160929996 570301301 /nfs/dbraw/zinc/30/13/01/570301301.db2.gz PRAHMCZBDCOMHY-UHFFFAOYSA-N 0 0 277.165 3.859 10 0 CHAERN Cc1cc(Br)ccc1/C(Cl)=C\C#N ZINC000209568511 570302875 /nfs/dbraw/zinc/30/28/75/570302875.db2.gz QVLMFAABVBEPBO-ONNFQVAWSA-N 0 0 256.530 3.861 10 0 CHAERN Cc1cc2nnc(-c3cccnc3)n2c2cc(Cl)ccc12 ZINC000032507887 570338041 /nfs/dbraw/zinc/33/80/41/570338041.db2.gz DSZAVAUZNSEJGW-UHFFFAOYSA-N 0 0 294.745 3.906 10 0 CHAERN Cc1cc(Br)ccc1[C@]1(O)CC[C@@H](C)C1 ZINC000521401752 570340176 /nfs/dbraw/zinc/34/01/76/570340176.db2.gz NLCHEJDZPLUIJL-RNCFNFMXSA-N 0 0 269.182 3.765 10 0 CHAERN CCC1(CC)C(=O)[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384312 570352847 /nfs/dbraw/zinc/35/28/47/570352847.db2.gz SJGKVWNCQXXPAF-OLZOCXBDSA-N 0 0 295.423 3.781 10 0 CHAERN CCC1(CC)C(=O)[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384311 570352915 /nfs/dbraw/zinc/35/29/15/570352915.db2.gz SJGKVWNCQXXPAF-CHWSQXEVSA-N 0 0 295.423 3.781 10 0 CHAERN CCCNC(=O)c1cncc(-c2cccc(C)c2C)c1 ZINC000036349142 570405315 /nfs/dbraw/zinc/40/53/15/570405315.db2.gz STMHXOVEMKYWRF-UHFFFAOYSA-N 0 0 268.360 3.505 10 0 CHAERN CCC(C)(CC)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685958558 570406342 /nfs/dbraw/zinc/40/63/42/570406342.db2.gz WOWRCAAHFWBMFG-CYBMUJFWSA-N 0 0 291.391 3.697 10 0 CHAERN Cc1c(Cl)nc(C(Cl)(Cl)Cl)nc1Cl ZINC000685959148 570406591 /nfs/dbraw/zinc/40/65/91/570406591.db2.gz KDOPVKWJYQIQLD-UHFFFAOYSA-N 0 0 280.369 3.919 10 0 CHAERN Clc1ccc2oc(I)cc2c1 ZINC000606297844 570408214 /nfs/dbraw/zinc/40/82/14/570408214.db2.gz SOKJJLBSXQPOER-UHFFFAOYSA-N 0 0 278.476 3.691 10 0 CHAERN CCCc1nn2c(c1Br)NC[C@H](C)[C@H]2CC ZINC000233389336 570411334 /nfs/dbraw/zinc/41/13/34/570411334.db2.gz YTTRKBMVIPTCSU-WCBMZHEXSA-N 0 0 286.217 3.611 10 0 CHAERN Clc1cc(Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000039387231 570412240 /nfs/dbraw/zinc/41/22/40/570412240.db2.gz FMTNSFYEKMTFBV-UHFFFAOYSA-N 0 0 266.342 3.610 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1cccc(Cl)c1 ZINC000253279491 728638301 /nfs/dbraw/zinc/63/83/01/728638301.db2.gz SHGIXVNSEPBNEH-GLQYFDAESA-N 0 0 295.810 3.722 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000700882868 954878467 /nfs/dbraw/zinc/87/84/67/954878467.db2.gz OUKXPWAXHYRVNJ-ZIAGYGMSSA-N 0 0 269.429 3.636 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000721404660 955187615 /nfs/dbraw/zinc/18/76/15/955187615.db2.gz LYCPPYKMIBQBQE-UHFFFAOYSA-N 0 0 261.365 3.539 10 0 CHAERN CC[C@@H](C[NH2+]Cc1csc(C(=O)[O-])c1)CC(F)(F)F ZINC000689094815 976219922 /nfs/dbraw/zinc/21/99/22/976219922.db2.gz WDBUWPBLYMKBQP-MRVPVSSYSA-N 0 0 295.326 3.515 10 0 CHAERN Cc1sc(C(=O)[O-])cc1C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000706011221 977306652 /nfs/dbraw/zinc/30/66/52/977306652.db2.gz VBFPQVISPSXUED-WFASDCNBSA-N 0 0 279.405 3.519 10 0 CHAERN Cc1cc(C)cc(N(C)C(=O)[C@H]2CCCc3cccnc32)c1 ZINC000194101138 1125550865 /nfs/dbraw/zinc/55/08/65/1125550865.db2.gz IYTLWSZERMEUTK-KRWDZBQOSA-N 0 0 294.398 3.781 10 0 CHAERN O=C(c1cc(Cl)ccc1O)N1CCC12CCCCC2 ZINC000373070534 1127820640 /nfs/dbraw/zinc/82/06/40/1127820640.db2.gz OENKDDWWBFKYMC-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN Cc1nc(CN(C)[C@H](C)c2cccnc2)nc2ccccc12 ZINC000101918644 1118161393 /nfs/dbraw/zinc/16/13/93/1118161393.db2.gz LJGUDPWMJOMYOW-CQSZACIVSA-N 0 0 292.386 3.526 10 0 CHAERN Cc1cc([C@H]2CCCN(c3nc4cc(C)ccc4o3)C2)n[nH]1 ZINC000282193945 1118283576 /nfs/dbraw/zinc/28/35/76/1118283576.db2.gz HNGKETNBNARRRR-ZDUSSCGKSA-N 0 0 296.374 3.552 10 0 CHAERN CCCCCc1ccc(NC(=O)/C=C\c2ccncn2)cc1 ZINC000588393424 1118519977 /nfs/dbraw/zinc/51/99/77/1118519977.db2.gz RKOVGXOUIXKZOH-KHPPLWFESA-N 0 0 295.386 3.861 10 0 CHAERN Cc1nc2c3cccc(F)c3sc2c(Cl)n1 ZINC000409424436 1118544479 /nfs/dbraw/zinc/54/44/79/1118544479.db2.gz ZXXSXOBUUCUVSX-UHFFFAOYSA-N 0 0 252.701 3.945 10 0 CHAERN O=C(/C=C\c1ccc(O)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000588416842 1118610989 /nfs/dbraw/zinc/61/09/89/1118610989.db2.gz VHDLIFZLUUWZJZ-JNLAIUADSA-N 0 0 297.398 3.754 10 0 CHAERN CC(C)c1ccc([C@@H](C)OC(=O)/C=C\c2ccncn2)cc1 ZINC000588441749 1118751535 /nfs/dbraw/zinc/75/15/35/1118751535.db2.gz OFLQBLSKVKUGAN-QIAWRQBBSA-N 0 0 296.370 3.918 10 0 CHAERN CCC[C@@H]1CCCCN1C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588443176 1118752156 /nfs/dbraw/zinc/75/21/56/1118752156.db2.gz FFBJXFCHOJFYSF-WBTMPAOCSA-N 0 0 292.810 3.929 10 0 CHAERN C[C@@H]1CC(OC(=O)CC/C=C\c2ccccc2)C[C@H](C)O1 ZINC000588449132 1118789730 /nfs/dbraw/zinc/78/97/30/1118789730.db2.gz XGIRATDDYIXBSN-MMSCENGMSA-N 0 0 288.387 3.979 10 0 CHAERN CC/C=C\COC(=O)c1nc(C)oc1-c1ccccc1 ZINC000588456506 1118804806 /nfs/dbraw/zinc/80/48/06/1118804806.db2.gz PWJXNFKWEDZDGM-YWEYNIOJSA-N 0 0 271.316 3.773 10 0 CHAERN Cc1ccc(/C=C\CC(=O)Nc2cccc(F)n2)cc1 ZINC000588474942 1118898220 /nfs/dbraw/zinc/89/82/20/1118898220.db2.gz LVWCRGVXOHUORP-RQOWECAXSA-N 0 0 270.307 3.571 10 0 CHAERN CCN(CCc1nccs1)C(=O)/C(C)=C\C(C)(C)C ZINC000588499130 1119006263 /nfs/dbraw/zinc/00/62/63/1119006263.db2.gz FUNQEKMPBCJMOK-QXMHVHEDSA-N 0 0 280.437 3.527 10 0 CHAERN CCC[C@H](OC(=O)/C=C\c1ccncn1)c1ccccc1 ZINC000588540199 1119154071 /nfs/dbraw/zinc/15/40/71/1119154071.db2.gz DWISVJXGZSZTMG-YDZSZYSISA-N 0 0 282.343 3.574 10 0 CHAERN Cc1c(NC(=O)/C=C\c2ccc[nH]2)sc2c1CCCC2 ZINC000588548745 1119222347 /nfs/dbraw/zinc/22/23/47/1119222347.db2.gz LCKLTIHSEYZWMM-HJWRWDBZSA-N 0 0 286.400 3.915 10 0 CHAERN C/C=C(/CC)C(=O)Oc1c(F)c(F)cc(F)c1F ZINC000588569695 1119319393 /nfs/dbraw/zinc/31/93/93/1119319393.db2.gz RJBFGBZSMXLNIP-UTCJRWHESA-N 0 0 262.202 3.505 10 0 CHAERN C[C@@H](COc1ccccc1)OC(=O)c1cccc(F)c1F ZINC000102596803 1122929474 /nfs/dbraw/zinc/92/94/74/1122929474.db2.gz NOHQQCRNWKMGQF-NSHDSACASA-N 0 0 292.281 3.589 10 0 CHAERN C[C@H](COc1ccccc1)OC(=O)c1cccc(F)c1F ZINC000102596805 1122929551 /nfs/dbraw/zinc/92/95/51/1122929551.db2.gz NOHQQCRNWKMGQF-LLVKDONJSA-N 0 0 292.281 3.589 10 0 CHAERN C[C@@H](CC(=O)OCCc1cccnc1)c1ccccc1F ZINC000105558072 1123055704 /nfs/dbraw/zinc/05/57/04/1123055704.db2.gz AUNIWVNDXCRWRK-ZDUSSCGKSA-N 0 0 287.334 3.500 10 0 CHAERN CC[C@H](COC(=O)Cc1c(C)noc1C)c1ccccc1 ZINC000105775072 1123070939 /nfs/dbraw/zinc/07/09/39/1123070939.db2.gz UKMXNOMOTYNWRV-CQSZACIVSA-N 0 0 287.359 3.571 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000335127708 1123305719 /nfs/dbraw/zinc/30/57/19/1123305719.db2.gz APJYZCVXXAOCNZ-HZMBPMFUSA-N 0 0 263.768 3.618 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000335412240 1123372040 /nfs/dbraw/zinc/37/20/40/1123372040.db2.gz MBWRENUTECQCNM-STQMWFEESA-N 0 0 290.432 3.734 10 0 CHAERN CC(C)c1ncc(-c2nc(CC3=CCCC3)no2)s1 ZINC000329590312 1123628269 /nfs/dbraw/zinc/62/82/69/1123628269.db2.gz TTXCIIADXFQCKP-UHFFFAOYSA-N 0 0 275.377 3.969 10 0 CHAERN C[C@@H]1C[C@H](C)[C@H](c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)O1 ZINC000329767162 1123653533 /nfs/dbraw/zinc/65/35/33/1123653533.db2.gz ZBWIBJXDUKQEAU-RLPMIEJPSA-N 0 0 294.395 3.651 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3C)c21 ZINC000103129829 1123783812 /nfs/dbraw/zinc/78/38/12/1123783812.db2.gz UHKCKZGVWVTNKG-UHFFFAOYSA-N 0 0 292.382 3.757 10 0 CHAERN COc1ccc(C)cc1C(=O)c1cc2nc(C)ccc2o1 ZINC000103500644 1123788223 /nfs/dbraw/zinc/78/82/23/1123788223.db2.gz WVKZLFWVKWKCKC-UHFFFAOYSA-N 0 0 281.311 3.684 10 0 CHAERN O=C(c1cc(Cl)c2ccccc2n1)N1C[C@@H]2CCC[C@@H]21 ZINC000449903498 1124890527 /nfs/dbraw/zinc/89/05/27/1124890527.db2.gz BKGDNIOLOVWURA-BONVTDFDSA-N 0 0 286.762 3.513 10 0 CHAERN CN(C(=O)C(C)(C)c1ccccc1F)c1ccccc1F ZINC000102250913 1125255543 /nfs/dbraw/zinc/25/55/43/1125255543.db2.gz VYQNPQCVHBPIQE-UHFFFAOYSA-N 0 0 289.325 3.905 10 0 CHAERN Clc1cc(N2CCC(Cc3ccccn3)CC2)ccn1 ZINC000193567957 1125396562 /nfs/dbraw/zinc/39/65/62/1125396562.db2.gz NCIASOSLWKHIKI-UHFFFAOYSA-N 0 0 287.794 3.589 10 0 CHAERN Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)c(C)n1 ZINC000103053845 1129694881 /nfs/dbraw/zinc/69/48/81/1129694881.db2.gz WCHJPCMOBXZOFP-UHFFFAOYSA-N 0 0 286.350 3.503 10 0 CHAERN CC(C)[C@H](CCc1ccccc1)OC(=O)c1cscn1 ZINC000103337370 1129745648 /nfs/dbraw/zinc/74/56/48/1129745648.db2.gz HSFVLWRKBGEZGX-HNNXBMFYSA-N 0 0 289.400 3.957 10 0 CHAERN CCC[C@@H](OC(=O)[C@@H](C)SC)c1ccccc1 ZINC000103337071 1129746046 /nfs/dbraw/zinc/74/60/46/1129746046.db2.gz HCCPXDBOPWRTEJ-DGCLKSJQSA-N 0 0 252.379 3.823 10 0 CHAERN CCO[C@H](C)C(=O)Oc1ccc([C@H](C)CC)cc1 ZINC000103637199 1131856560 /nfs/dbraw/zinc/85/65/60/1131856560.db2.gz MQRDVMGJKMCRCJ-VXGBXAGGSA-N 0 0 250.338 3.531 10 0 CHAERN O=C(CCCCc1nc2ccccc2s1)OCC(F)F ZINC000103656951 1131945758 /nfs/dbraw/zinc/94/57/58/1131945758.db2.gz GJVUBTJCMVPITB-UHFFFAOYSA-N 0 0 299.342 3.817 10 0 CHAERN Cc1cc(C(=O)c2ccc(Cl)cc2N)cs1 ZINC000082313529 177956949 /nfs/dbraw/zinc/95/69/49/177956949.db2.gz NLSGEJONSGTJCO-UHFFFAOYSA-N 0 0 251.738 3.523 10 0 CHAERN CC(C)c1cncc(Br)c1OC1CC1 ZINC000095723836 185020558 /nfs/dbraw/zinc/02/05/58/185020558.db2.gz IVMNFLQDXDAFAD-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)c1cc(Br)c(OC2CC2)cn1 ZINC000095723516 185020745 /nfs/dbraw/zinc/02/07/45/185020745.db2.gz KTXYFRALLANAJZ-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CCCc1nc(Cl)cc(NC2CCCCC2)n1 ZINC000082509794 178076898 /nfs/dbraw/zinc/07/68/98/178076898.db2.gz JLXQWBPXCCATTO-UHFFFAOYSA-N 0 0 253.777 3.827 10 0 CHAERN COC(=O)c1nc(-c2ccccc2)oc1-c1ccc(F)cc1 ZINC000095836034 185029804 /nfs/dbraw/zinc/02/98/04/185029804.db2.gz PLAKSOOBYLIMDV-UHFFFAOYSA-N 0 0 297.285 3.934 10 0 CHAERN CSC1=NN(c2ccccc2)[C@@H](C)N1c1ccccc1 ZINC000095933136 185033718 /nfs/dbraw/zinc/03/37/18/185033718.db2.gz QKKCRWJOWFZHIF-ZDUSSCGKSA-N 0 0 283.400 3.993 10 0 CHAERN CC(=O)Cc1ccc(-c2ccc(F)c(F)c2F)cc1 ZINC000082709074 178218847 /nfs/dbraw/zinc/21/88/47/178218847.db2.gz UUUIMEAHILWILK-UHFFFAOYSA-N 0 0 264.246 3.902 10 0 CHAERN Cc1cc(N)ncc1-c1cc(Cl)cc(Cl)c1 ZINC000082730125 178247298 /nfs/dbraw/zinc/24/72/98/178247298.db2.gz JHBAPXMNNNHVIB-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN CCc1ccc2nc(Br)cc(C)c2c1 ZINC000082788555 178293572 /nfs/dbraw/zinc/29/35/72/178293572.db2.gz WSAXVFRTPOEVJQ-UHFFFAOYSA-N 0 0 250.139 3.868 10 0 CHAERN Cc1cc([C@@H](O)c2cccs2)ccc1Br ZINC000083140079 178340821 /nfs/dbraw/zinc/34/08/21/178340821.db2.gz FRIYVIIYUZIVNH-GFCCVEGCSA-N 0 0 283.190 3.901 10 0 CHAERN OCc1ccc(NCc2ccc(Cl)s2)cc1 ZINC000083397345 178408414 /nfs/dbraw/zinc/40/84/14/178408414.db2.gz PSQDWGHWLOYNAO-UHFFFAOYSA-N 0 0 253.754 3.506 10 0 CHAERN O=Cc1cscc1-c1ccc(Br)cc1 ZINC000096919507 185130335 /nfs/dbraw/zinc/13/03/35/185130335.db2.gz UXKOOUOFXVHIDI-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN Clc1cccc(NCc2c[nH]c3ccccc23)n1 ZINC000083429310 178434550 /nfs/dbraw/zinc/43/45/50/178434550.db2.gz ZPPXDXYFJMQOQC-UHFFFAOYSA-N 0 0 257.724 3.828 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1ccncc1 ZINC000085333648 179021742 /nfs/dbraw/zinc/02/17/42/179021742.db2.gz UKPPEUAGOJAWPQ-GFCCVEGCSA-N 0 0 294.420 3.573 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CSc1ccncc1 ZINC000085333652 179022015 /nfs/dbraw/zinc/02/20/15/179022015.db2.gz UKPPEUAGOJAWPQ-LBPRGKRZSA-N 0 0 294.420 3.573 10 0 CHAERN Cc1sc(N)c(-c2nc(-c3ccccc3)no2)c1C ZINC000100753376 185724851 /nfs/dbraw/zinc/72/48/51/185724851.db2.gz NICUPOASFWSNJM-UHFFFAOYSA-N 0 0 271.345 3.664 10 0 CHAERN Clc1nnc(C2CC2)n1[C@H]1CCCc2ccccc21 ZINC000103926186 185862456 /nfs/dbraw/zinc/86/24/56/185862456.db2.gz YYZIOPKNQBLGLO-ZDUSSCGKSA-N 0 0 273.767 3.735 10 0 CHAERN O[C@@H](c1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000104058607 185887715 /nfs/dbraw/zinc/88/77/15/185887715.db2.gz SSHKHYZYIUHEQC-OAHLLOKOSA-N 0 0 267.353 3.892 10 0 CHAERN CCOc1cc(NCCc2cccs2)c(N)cc1F ZINC000104144746 185911258 /nfs/dbraw/zinc/91/12/58/185911258.db2.gz VHPPKHIFZFKDAQ-UHFFFAOYSA-N 0 0 280.368 3.523 10 0 CHAERN Cc1c(Cl)nnc(NC[C@@H]2CCCC[C@@H]2C)c1C ZINC000104161182 185914760 /nfs/dbraw/zinc/91/47/60/185914760.db2.gz GAVBSRGARDENIE-CABZTGNLSA-N 0 0 267.804 3.985 10 0 CHAERN CC(C)CN(c1ccc(N)cc1C(F)F)C1CC1 ZINC000104213834 185932971 /nfs/dbraw/zinc/93/29/71/185932971.db2.gz BGAJKMDHGWHVLA-UHFFFAOYSA-N 0 0 254.324 3.831 10 0 CHAERN Fc1cccc(CNc2cccnc2Cl)c1F ZINC000104233891 185938684 /nfs/dbraw/zinc/93/86/84/185938684.db2.gz LWBVPTUMSVBVJJ-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN CCc1cc2c(nc(-c3ccco3)nc2NC)s1 ZINC000104345958 185977158 /nfs/dbraw/zinc/97/71/58/185977158.db2.gz CSTVVWIIVJWAEP-UHFFFAOYSA-N 0 0 259.334 3.555 10 0 CHAERN CCn1c2ccccc2nc1-c1cc(C)sc1N ZINC000104366887 185986028 /nfs/dbraw/zinc/98/60/28/185986028.db2.gz BINNPIZPJOAZDQ-UHFFFAOYSA-N 0 0 257.362 3.675 10 0 CHAERN C[C@H](Nc1ncc(Br)cn1)c1cccc(F)c1 ZINC000104387251 185988955 /nfs/dbraw/zinc/98/89/55/185988955.db2.gz XJIDMNODQAQQAY-QMMMGPOBSA-N 0 0 296.143 3.551 10 0 CHAERN Cc1ccnc(-c2nc(Cl)c3c(n2)CCCCC3)c1 ZINC000104424168 185997419 /nfs/dbraw/zinc/99/74/19/185997419.db2.gz MZDABOWCNYLYCC-UHFFFAOYSA-N 0 0 273.767 3.769 10 0 CHAERN C[C@H](CC(=O)N[C@@H](C)c1ccccc1N)C(C)(C)C ZINC000104432699 186000624 /nfs/dbraw/zinc/00/06/24/186000624.db2.gz LFLOZCRAACXMLZ-NEPJUHHUSA-N 0 0 262.397 3.518 10 0 CHAERN C[C@H](CC(=O)c1ccc(N(C)C=O)cc1)C(C)(C)C ZINC000104434050 186000724 /nfs/dbraw/zinc/00/07/24/186000724.db2.gz SDULJNIBQUCJDQ-GFCCVEGCSA-N 0 0 261.365 3.534 10 0 CHAERN COc1ccc(Cn2ccc3cc(F)c(C)cc3c2=O)cc1 ZINC000090547649 180001659 /nfs/dbraw/zinc/00/16/59/180001659.db2.gz PGMJNARLMAJWSA-UHFFFAOYSA-N 0 0 297.329 3.506 10 0 CHAERN COc1ncc(-c2ccsc2)c2c(O)cccc12 ZINC000090555783 180003866 /nfs/dbraw/zinc/00/38/66/180003866.db2.gz DOADWMUDCDKGFW-UHFFFAOYSA-N 0 0 257.314 3.678 10 0 CHAERN Nc1ccc(-c2nc3ccc(F)cc3s2)cc1F ZINC000090558509 180004189 /nfs/dbraw/zinc/00/41/89/180004189.db2.gz AFVMHFKOSRIYDL-UHFFFAOYSA-N 0 0 262.284 3.824 10 0 CHAERN O=Cc1cccc(-c2cncc(Oc3cccnc3)c2)c1 ZINC000090669358 180020373 /nfs/dbraw/zinc/02/03/73/180020373.db2.gz IBUSJLBOMSDTQK-UHFFFAOYSA-N 0 0 276.295 3.748 10 0 CHAERN CC(=O)NCCCc1[nH]c2ccccc2c1-c1ccccc1 ZINC000090759832 180037019 /nfs/dbraw/zinc/03/70/19/180037019.db2.gz RDNPCEKWPMVPFJ-UHFFFAOYSA-N 0 0 292.382 3.904 10 0 CHAERN CCC(CC)[C@H](C)Nc1nc(Cl)nc(OC(C)C)n1 ZINC000104448330 186005651 /nfs/dbraw/zinc/00/56/51/186005651.db2.gz AMRUCJWLQYKPPI-VIFPVBQESA-N 0 0 286.807 3.549 10 0 CHAERN C[C@H](CC(=O)c1ccc2c(c1)OCCO2)C(C)(C)C ZINC000104448933 186006155 /nfs/dbraw/zinc/00/61/55/186006155.db2.gz CYNYIINCZVGNJC-LLVKDONJSA-N 0 0 262.349 3.713 10 0 CHAERN C[C@H](CC(=O)Nc1ccc(Cl)cc1N)C(C)(C)C ZINC000104450093 186006826 /nfs/dbraw/zinc/00/68/26/186006826.db2.gz UAXJIKMQDSCMJC-SECBINFHSA-N 0 0 268.788 3.933 10 0 CHAERN CCCc1cc(NC)nc(-c2ccc(CC)cc2)n1 ZINC000110104439 186286159 /nfs/dbraw/zinc/28/61/59/186286159.db2.gz HXGGUOOJDPBJJB-UHFFFAOYSA-N 0 0 255.365 3.700 10 0 CHAERN CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Cl)c1 ZINC000299889379 200882281 /nfs/dbraw/zinc/88/22/81/200882281.db2.gz IKZXSYXTNWDFOZ-UHFFFAOYSA-N 0 0 299.754 3.864 10 0 CHAERN S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215742311 189696447 /nfs/dbraw/zinc/69/64/47/189696447.db2.gz QPUBAQHSJFYHIW-OPQQBVKSSA-N 0 0 278.808 3.591 10 0 CHAERN Brc1nc(C2CCC2)sc1Br ZINC000072192865 327109951 /nfs/dbraw/zinc/10/99/51/327109951.db2.gz RXXBFGXGNPQFEO-UHFFFAOYSA-N 0 0 297.015 3.936 10 0 CHAERN O=c1[nH]c(-c2ccccc2)nc2cccc(Cl)c21 ZINC000261508890 190040619 /nfs/dbraw/zinc/04/06/19/190040619.db2.gz XZNVPUBSOYWXPY-UHFFFAOYSA-N 0 0 256.692 3.656 10 0 CHAERN COc1nc(F)c(F)c(Oc2ccc(C)cc2)c1F ZINC000000201056 169573128 /nfs/dbraw/zinc/57/31/28/169573128.db2.gz JDSLBXOZAQPOLW-UHFFFAOYSA-N 0 0 269.222 3.608 10 0 CHAERN COc1cc(C(=O)c2ccccc2)cc(Cl)c1OC ZINC000037895512 184544263 /nfs/dbraw/zinc/54/42/63/184544263.db2.gz QHDGVEDBHJGYMJ-UHFFFAOYSA-N 0 0 276.719 3.588 10 0 CHAERN CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@@H]1CCCO ZINC000400809973 260002878 /nfs/dbraw/zinc/00/28/78/260002878.db2.gz WLKZMGURKCHVEM-HZPDHXFCSA-N 0 0 281.440 3.523 10 0 CHAERN Cc1ccc(-c2ccc(OC(F)(F)F)cc2)c(N)n1 ZINC000096150546 256741294 /nfs/dbraw/zinc/74/12/94/256741294.db2.gz RARIHCQJWAPPIR-UHFFFAOYSA-N 0 0 268.238 3.538 10 0 CHAERN COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000171207377 335059499 /nfs/dbraw/zinc/05/94/99/335059499.db2.gz RGDFTUHLZRRCBV-ZIAGYGMSSA-N 0 0 292.423 3.595 10 0 CHAERN Cc1cc([C@]2(O)CC[C@@H](C)C2)ccc1Br ZINC000521401963 256845233 /nfs/dbraw/zinc/84/52/33/256845233.db2.gz SSIASBJVJHETLB-RNCFNFMXSA-N 0 0 269.182 3.765 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179452746 260048580 /nfs/dbraw/zinc/04/85/80/260048580.db2.gz JFSVGMKJABCMHC-XHDPSFHLSA-N 0 0 263.356 3.611 10 0 CHAERN COCc1ccccc1N[C@@H](C)CCc1ccco1 ZINC000036939140 260054119 /nfs/dbraw/zinc/05/41/19/260054119.db2.gz WLGVGNJLGAUGPL-ZDUSSCGKSA-N 0 0 259.349 3.859 10 0 CHAERN CCCN(C(=O)N[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000171413369 335065343 /nfs/dbraw/zinc/06/53/43/335065343.db2.gz QCXCEIIUKINJKA-NSHDSACASA-N 0 0 280.799 3.985 10 0 CHAERN C[C@@H]1c2ccsc2CCN1c1ccc(F)cc1C=O ZINC000042770266 134896959 /nfs/dbraw/zinc/89/69/59/134896959.db2.gz VHHSFKUEGKMRCO-SNVBAGLBSA-N 0 0 275.348 3.823 10 0 CHAERN O=C(CC(F)(F)F)c1ccc(F)c(Br)c1 ZINC000002540153 169805813 /nfs/dbraw/zinc/80/58/13/169805813.db2.gz MCHKQAQPHKORLJ-UHFFFAOYSA-N 0 0 285.034 3.723 10 0 CHAERN Cc1ccc(SC(=O)c2cc(C)nc(Cl)n2)cc1 ZINC000002557676 169808342 /nfs/dbraw/zinc/80/83/42/169808342.db2.gz PCJWILMBKUMLOB-UHFFFAOYSA-N 0 0 278.764 3.679 10 0 CHAERN CC(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1 ZINC000005147194 170070251 /nfs/dbraw/zinc/07/02/51/170070251.db2.gz ITPWSBSEBLFIRQ-UHFFFAOYSA-N 0 0 297.402 3.524 10 0 CHAERN CC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000005160592 170072240 /nfs/dbraw/zinc/07/22/40/170072240.db2.gz CHAOLRKYRZZMKR-UHFFFAOYSA-N 0 0 263.381 3.946 10 0 CHAERN CC(=O)Oc1cn2ccccc2c1-c1ccccc1 ZINC000005283707 170082751 /nfs/dbraw/zinc/08/27/51/170082751.db2.gz QYHZTEPMRVBGMI-UHFFFAOYSA-N 0 0 251.285 3.532 10 0 CHAERN CCCCn1c(Cn2nnc3ccccc32)cc(C)c1C ZINC000005310437 170084755 /nfs/dbraw/zinc/08/47/55/170084755.db2.gz INKYFFOSSFVYQR-UHFFFAOYSA-N 0 0 282.391 3.698 10 0 CHAERN CCN(CC)c1ccc2nc(-c3ccccc3N)oc2c1 ZINC000005311891 170085276 /nfs/dbraw/zinc/08/52/76/170085276.db2.gz SCKPSLQZYINYLP-UHFFFAOYSA-N 0 0 281.359 3.923 10 0 CHAERN C[C@H](NC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000005515560 170106747 /nfs/dbraw/zinc/10/67/47/170106747.db2.gz VQAGNCXLQSXGED-VIFPVBQESA-N 0 0 284.197 3.614 10 0 CHAERN O=c1cc(-c2ccc3ccccc3c2)nc2[nH]cccc1-2 ZINC000005541468 170110641 /nfs/dbraw/zinc/11/06/41/170110641.db2.gz SIAZQYUZGIPPRX-UHFFFAOYSA-N 0 0 272.307 3.743 10 0 in-vivo CHAERN O=C(Cc1ccc(Cl)cc1)n1cnc2ccccc21 ZINC000005588892 170116631 /nfs/dbraw/zinc/11/66/31/170116631.db2.gz YNCMALKDGFGTJI-UHFFFAOYSA-N 0 0 270.719 3.573 10 0 CHAERN CCCCOc1ccc2ccccc2c1C(N)=S ZINC000005592443 170117299 /nfs/dbraw/zinc/11/72/99/170117299.db2.gz CPWMJZRQLNIFQI-UHFFFAOYSA-N 0 0 259.374 3.653 10 0 CHAERN Clc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1 ZINC000005999314 170166596 /nfs/dbraw/zinc/16/65/96/170166596.db2.gz GMVYCZKAKBUBCZ-UHFFFAOYSA-N 0 0 269.735 3.716 10 0 CHAERN C[C@H]1CCCCN1CC(=O)c1ccccc1Br ZINC000006052939 170172597 /nfs/dbraw/zinc/17/25/97/170172597.db2.gz YSNOELBFGHKBDM-NSHDSACASA-N 0 0 296.208 3.506 10 0 CHAERN Cc1ccc(/C=C\C(=O)Nc2cccc(F)c2)cc1 ZINC000006131227 170178846 /nfs/dbraw/zinc/17/88/46/170178846.db2.gz ZVJDMYGLIRZPQA-KTKRTIGZSA-N 0 0 255.292 3.786 10 0 CHAERN Cc1ccccc1-c1nc2cc(NC(=O)C3CC3)ccc2[nH]1 ZINC000006188026 170181587 /nfs/dbraw/zinc/18/15/87/170181587.db2.gz KAHXSJNIGGLIHX-UHFFFAOYSA-N 0 0 291.354 3.887 10 0 CHAERN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2cccc(Cl)c2)C1 ZINC000006250741 170185752 /nfs/dbraw/zinc/18/57/52/170185752.db2.gz VGUOFQJHWCELSL-AMRKSYTLSA-N 0 0 277.795 3.858 10 0 CHAERN O=C(c1ccccc1)C1(C(=O)c2ccccc2)CC1 ZINC000006884837 170253372 /nfs/dbraw/zinc/25/33/72/170253372.db2.gz BIADFHBACOOTCX-UHFFFAOYSA-N 0 0 250.297 3.532 10 0 CHAERN C[C@H]1Cc2ccccc2N1C(=S)NCc1ccccc1 ZINC000006959245 170258994 /nfs/dbraw/zinc/25/89/94/170258994.db2.gz IYLVPVCFIVZWFM-ZDUSSCGKSA-N 0 0 282.412 3.512 10 0 CHAERN C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000007184900 170270234 /nfs/dbraw/zinc/27/02/34/170270234.db2.gz NEWRWTQUYNALLO-SECBINFHSA-N 0 0 295.169 3.879 10 0 CHAERN CCC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000007260691 170273975 /nfs/dbraw/zinc/27/39/75/170273975.db2.gz RVFPBNJTXHWCSN-UHFFFAOYSA-N 0 0 267.328 3.575 10 0 CHAERN Cc1ccc(O)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000007264010 170274409 /nfs/dbraw/zinc/27/44/09/170274409.db2.gz QVSCQFYMYOUHML-INIZCTEOSA-N 0 0 281.355 3.508 10 0 CHAERN CCOC(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000007437697 170284428 /nfs/dbraw/zinc/28/44/28/170284428.db2.gz VFWYVIRCISQIRB-UHFFFAOYSA-N 0 0 262.334 3.687 10 0 CHAERN Brc1ccc(-c2nc3cccnc3o2)cc1 ZINC000007448294 170285874 /nfs/dbraw/zinc/28/58/74/170285874.db2.gz FKJPMLYDQRJPBK-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN CC(C)CNc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000007844371 170305000 /nfs/dbraw/zinc/30/50/00/170305000.db2.gz JNYHJXMROWVWHO-UHFFFAOYSA-N 0 0 276.361 3.607 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000008106424 170319444 /nfs/dbraw/zinc/31/94/44/170319444.db2.gz UDTULYYZHSZGSA-AWEZNQCLSA-N 0 0 283.371 3.963 10 0 CHAERN CCOc1ccccc1-c1nc2ccc(C)cc2c(=O)o1 ZINC000008186213 170323604 /nfs/dbraw/zinc/32/36/04/170323604.db2.gz CZDVIBFKJVSODC-UHFFFAOYSA-N 0 0 281.311 3.562 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1F ZINC000008289166 170329351 /nfs/dbraw/zinc/32/93/51/170329351.db2.gz MAZNUTWLSGGODF-VAWYXSNFSA-N 0 0 285.318 3.876 10 0 CHAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2O)cc1 ZINC000008378727 170333600 /nfs/dbraw/zinc/33/36/00/170333600.db2.gz KPCSOGZDJIXWKU-YRNVUSSQSA-N 0 0 297.354 3.751 10 0 CHAERN Clc1cc(-n2cccc2)ccc1Br ZINC000008436732 170336578 /nfs/dbraw/zinc/33/65/78/170336578.db2.gz PHFBACWSRXXQAY-UHFFFAOYSA-N 0 0 256.530 3.893 10 0 CHAERN Cc1sc(N)c(C(=O)Nc2ccc(C)cc2)c1C ZINC000008550239 170339962 /nfs/dbraw/zinc/33/99/62/170339962.db2.gz LYFDULNBYVECJG-UHFFFAOYSA-N 0 0 260.362 3.508 10 0 CHAERN CC(C)Oc1ccc(C(=O)n2cnc3ccccc32)cc1 ZINC000008562924 170340661 /nfs/dbraw/zinc/34/06/61/170340661.db2.gz UMWBPQFDCUTPEM-UHFFFAOYSA-N 0 0 280.327 3.512 10 0 CHAERN CCC(=O)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000008737664 170353250 /nfs/dbraw/zinc/35/32/50/170353250.db2.gz HMXORRVNAWXNDY-UHFFFAOYSA-N 0 0 286.356 3.833 10 0 CHAERN C[C@@H]1CCCN(CC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000009996512 170393717 /nfs/dbraw/zinc/39/37/17/170393717.db2.gz KRSKMPBJXGEHTH-SNVBAGLBSA-N 0 0 286.202 3.908 10 0 CHAERN Cc1cccc([C@H](CO)Cc2cccc(Cl)c2)c1 ZINC000011734521 170436883 /nfs/dbraw/zinc/43/68/83/170436883.db2.gz WHLASSIRLADKMS-HNNXBMFYSA-N 0 0 260.764 3.967 10 0 CHAERN CC[N@H+]([C@H](C)c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000011895588 170456542 /nfs/dbraw/zinc/45/65/42/170456542.db2.gz UNMOIDYONNYTEQ-LLVKDONJSA-N 0 0 265.353 3.693 10 0 CHAERN CCCc1c2nccnc2[nH]c1-c1ccc(OC)cc1 ZINC000013492962 170556127 /nfs/dbraw/zinc/55/61/27/170556127.db2.gz WMFVCLKZYKMDNK-UHFFFAOYSA-N 0 0 267.332 3.586 10 0 CHAERN Cc1ccsc1-c1cncc(Br)c1 ZINC000013607077 170568871 /nfs/dbraw/zinc/56/88/71/170568871.db2.gz APGMFUDNZZFAPS-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN O=Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12 ZINC000013645123 170572329 /nfs/dbraw/zinc/57/23/29/170572329.db2.gz DYHJXPWBSPNTRH-UHFFFAOYSA-N 0 0 282.270 3.870 10 0 CHAERN Oc1ccc(C(c2ccc(O)cc2)=C2CCC(O)CC2)cc1 ZINC000013685658 170578215 /nfs/dbraw/zinc/57/82/15/170578215.db2.gz OVPOPDUAZNNTPE-UHFFFAOYSA-N 0 0 296.366 3.835 10 0 CHAERN c1ccc2c(c1)CC[C@H]2Nc1ncnc2ccccc21 ZINC000013863977 170605674 /nfs/dbraw/zinc/60/56/74/170605674.db2.gz HQRADGQWHFMORA-MRXNPFEDSA-N 0 0 261.328 3.729 10 0 CHAERN C[C@@H](NC(=O)c1ccco1)c1ccc2ccccc2c1 ZINC000014424690 170633958 /nfs/dbraw/zinc/63/39/58/170633958.db2.gz OJEZUJWFIOEWKK-GFCCVEGCSA-N 0 0 265.312 3.924 10 0 CHAERN COc1ccccc1NC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000014638975 170641066 /nfs/dbraw/zinc/64/10/66/170641066.db2.gz VJQYPCWJFGCAEF-AWEZNQCLSA-N 0 0 299.370 3.718 10 0 CHAERN CC1(C)Cc2cccc(OCc3ccccc3N)c2O1 ZINC000019275886 170769217 /nfs/dbraw/zinc/76/92/17/170769217.db2.gz AVKJWCXXNVXLOT-UHFFFAOYSA-N 0 0 269.344 3.561 10 0 CHAERN Nc1cccc(CO[C@H]2CCCc3ccccc32)c1 ZINC000019393961 170782420 /nfs/dbraw/zinc/78/24/20/170782420.db2.gz CNVJDELBMUANEX-KRWDZBQOSA-N 0 0 253.345 3.863 10 0 CHAERN Oc1ccc([C@H](NCC(F)(F)F)c2ccccc2)cc1 ZINC000019429957 170796819 /nfs/dbraw/zinc/79/68/19/170796819.db2.gz MERICELLUJBTJG-CQSZACIVSA-N 0 0 281.277 3.634 10 0 CHAERN Nc1ccc(F)cc1OCc1cccc(Br)c1 ZINC000019518913 170824740 /nfs/dbraw/zinc/82/47/40/170824740.db2.gz YFHXYJWBAVGXLI-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Nc1cc(-c2cccs2)nn1-c1cccc(Cl)c1 ZINC000019689001 170841417 /nfs/dbraw/zinc/84/14/17/170841417.db2.gz YFUNYOPMOBZAHA-UHFFFAOYSA-N 0 0 275.764 3.836 10 0 CHAERN NC(=S)c1ccccc1OCc1ccc(Cl)cc1 ZINC000019805403 170874191 /nfs/dbraw/zinc/87/41/91/170874191.db2.gz GQAUPXZLHUAEAA-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN NC(=S)c1ccccc1OCc1ccc(F)cc1Cl ZINC000019805409 170874387 /nfs/dbraw/zinc/87/43/87/170874387.db2.gz AUJAYMBIAHSDAV-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN NC(=S)Cc1ccc(OCc2ccc(Cl)s2)cc1 ZINC000019805440 170874419 /nfs/dbraw/zinc/87/44/19/170874419.db2.gz XJTKNARJPMPBCW-UHFFFAOYSA-N 0 0 297.832 3.809 10 0 CHAERN Cc1ccc(OCc2ccc(C(N)=S)cc2F)cc1C ZINC000019806107 170875223 /nfs/dbraw/zinc/87/52/23/170875223.db2.gz WNVDAKNIHJCUJL-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN COc1ccc(Nc2ccc(C(N)=S)cc2)cc1Cl ZINC000019866692 170899654 /nfs/dbraw/zinc/89/96/54/170899654.db2.gz YLXZWNIQFUFTFP-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN COc1cc(C)ccc1Oc1ccc(C(C)=O)cc1 ZINC000019871584 170902107 /nfs/dbraw/zinc/90/21/07/170902107.db2.gz GBOZGCRNVFESHU-UHFFFAOYSA-N 0 0 256.301 3.999 10 0 CHAERN CC1CCC(Nc2ccc3c(c2)OCCCO3)CC1 ZINC000019906070 170917944 /nfs/dbraw/zinc/91/79/44/170917944.db2.gz HIIPIQAHJNWQDF-UHFFFAOYSA-N 0 0 261.365 3.839 10 0 CHAERN COc1ccc(N[C@@H](C)c2cccc(O)c2)cc1OC ZINC000019908751 170920420 /nfs/dbraw/zinc/92/04/20/170920420.db2.gz ZXXROFJGIZAWFJ-NSHDSACASA-N 0 0 273.332 3.583 10 0 CHAERN Cc1ccc(C)c([C@H](C)Nc2ccc(C(N)=O)cc2)c1 ZINC000019911566 170922250 /nfs/dbraw/zinc/92/22/50/170922250.db2.gz ZNKWFBQQCMVZJN-ZDUSSCGKSA-N 0 0 268.360 3.575 10 0 CHAERN COc1ccc(COc2ccc(N)c(C(F)(F)F)c2)cc1 ZINC000019965617 170947141 /nfs/dbraw/zinc/94/71/41/170947141.db2.gz UQSOXANCCQOSDM-UHFFFAOYSA-N 0 0 297.276 3.875 10 0 CHAERN COc1cccc(CNc2ccc3[nH]ccc3c2)c1 ZINC000020132260 171020794 /nfs/dbraw/zinc/02/07/94/171020794.db2.gz MNCVDSYJBSGJSL-UHFFFAOYSA-N 0 0 252.317 3.789 10 0 CHAERN C[C@@H](Nc1ccc(-c2nnco2)cc1)c1ccco1 ZINC000020186953 171051713 /nfs/dbraw/zinc/05/17/13/171051713.db2.gz INVPJEPZJROWCW-SNVBAGLBSA-N 0 0 255.277 3.503 10 0 CHAERN Oc1cccc(NCc2ccccc2OC(F)F)c1 ZINC000020193954 171059474 /nfs/dbraw/zinc/05/94/74/171059474.db2.gz OTPFGTQABBDAFV-UHFFFAOYSA-N 0 0 265.259 3.606 10 0 CHAERN CCOC(=O)Cc1nc(-c2cc(C)ccc2C)cs1 ZINC000020311731 171144455 /nfs/dbraw/zinc/14/44/55/171144455.db2.gz MQNHDASCZPVDAI-UHFFFAOYSA-N 0 0 275.373 3.533 10 0 CHAERN C[C@@H](Nc1ccc(F)c(F)c1F)C(=O)Nc1ccccc1 ZINC000020359264 171158365 /nfs/dbraw/zinc/15/83/65/171158365.db2.gz WUMGVELROLNDDE-SECBINFHSA-N 0 0 294.276 3.543 10 0 CHAERN CCCCNc1ccc(I)cc1 ZINC000020359125 171158392 /nfs/dbraw/zinc/15/83/92/171158392.db2.gz KEEDNRIWFHQTJF-UHFFFAOYSA-N 0 0 275.133 3.503 10 0 CHAERN CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(SC)cc1 ZINC000020367555 171165725 /nfs/dbraw/zinc/16/57/25/171165725.db2.gz WRGQBEIGZDXEGH-RYUDHWBXSA-N 0 0 280.437 3.514 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020368113 171166352 /nfs/dbraw/zinc/16/63/52/171166352.db2.gz UKRVSUBSOWLHEG-IUCAKERBSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020368109 171166576 /nfs/dbraw/zinc/16/65/76/171166576.db2.gz UKRVSUBSOWLHEG-DTWKUNHWSA-N 0 0 289.206 3.709 10 0 CHAERN N[C@H](c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000020369050 171166903 /nfs/dbraw/zinc/16/69/03/171166903.db2.gz REWRFCOGQHAZJS-HNNXBMFYSA-N 0 0 259.255 3.759 10 0 CHAERN N[C@@H](c1cc2ccccc2o1)c1cc(F)ccc1F ZINC000020369053 171166965 /nfs/dbraw/zinc/16/69/65/171166965.db2.gz PFZCJDMESYKWBK-OAHLLOKOSA-N 0 0 259.255 3.759 10 0 CHAERN O=c1[nH]c(Nc2ccc(Cl)cc2Cl)cs1 ZINC000020391540 171179951 /nfs/dbraw/zinc/17/99/51/171179951.db2.gz FRANVWVCYRFTDL-UHFFFAOYSA-N 0 0 261.133 3.671 10 0 CHAERN Cc1cc(CNc2cc(F)cc(F)c2)cc(C)c1O ZINC000020424262 171190789 /nfs/dbraw/zinc/19/07/89/171190789.db2.gz GLSVDMUZESZIFQ-UHFFFAOYSA-N 0 0 263.287 3.899 10 0 CHAERN OCc1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000020435400 171201473 /nfs/dbraw/zinc/20/14/73/171201473.db2.gz RWZTXTILDOQBCL-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN CC(C)C[C@@H](C)Oc1nc2ccccc2cc1C=O ZINC000020445102 171206329 /nfs/dbraw/zinc/20/63/29/171206329.db2.gz IPUKDAZUDDMOBW-GFCCVEGCSA-N 0 0 257.333 3.861 10 0 CHAERN CC(C)Oc1ccc(NCc2ccc(O)cc2)cc1 ZINC000020473003 171216375 /nfs/dbraw/zinc/21/63/75/171216375.db2.gz GKHCCLKTLCHEKF-UHFFFAOYSA-N 0 0 257.333 3.792 10 0 CHAERN Nc1ccc(O[C@H]2CCCc3ccccc32)c(F)c1 ZINC000020474940 171218970 /nfs/dbraw/zinc/21/89/70/171218970.db2.gz AOAVPEGBWWWPLP-HNNXBMFYSA-N 0 0 257.308 3.864 10 0 CHAERN CCCOc1ccccc1Oc1ccc(N)cc1F ZINC000020474921 171219444 /nfs/dbraw/zinc/21/94/44/171219444.db2.gz ZJPWKNIYFUNFSV-UHFFFAOYSA-N 0 0 261.296 3.989 10 0 CHAERN OCc1cccc2c1ccn2Cc1ccccc1Cl ZINC000020495214 171226843 /nfs/dbraw/zinc/22/68/43/171226843.db2.gz SSQSVYZBUDRZRL-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN CCCCCc1sc(N)c(C(=O)OCC)c1C ZINC000020519881 171233410 /nfs/dbraw/zinc/23/34/10/171233410.db2.gz UZSVNPPTGXKCNM-UHFFFAOYSA-N 0 0 255.383 3.548 10 0 CHAERN CC(=O)c1nc(-c2ccc(Br)cc2)oc1C ZINC000020525484 171238056 /nfs/dbraw/zinc/23/80/56/171238056.db2.gz AUYWHBUOTNHKMW-UHFFFAOYSA-N 0 0 280.121 3.615 10 0 CHAERN c1csc(-c2noc([C@H]3Cc4ccccc4N3)n2)c1 ZINC000020545840 171243537 /nfs/dbraw/zinc/24/35/37/171243537.db2.gz HACOSAQHTVSZMX-LLVKDONJSA-N 0 0 269.329 3.507 10 0 CHAERN COC(=O)c1ccc(-n2c(C)cc3ccccc32)s1 ZINC000020864598 171276662 /nfs/dbraw/zinc/27/66/62/171276662.db2.gz KIMWOPBWWKGARZ-UHFFFAOYSA-N 0 0 271.341 3.787 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000021001232 171284674 /nfs/dbraw/zinc/28/46/74/171284674.db2.gz AWIGLZDXMVDWBN-CQSZACIVSA-N 0 0 299.370 3.723 10 0 CHAERN CCCCCC(=O)Nc1cc(NC(=O)CC)ccc1OC ZINC000021005430 171285027 /nfs/dbraw/zinc/28/50/27/171285027.db2.gz GVODUTAFECENPU-UHFFFAOYSA-N 0 0 292.379 3.563 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ncccc1C(N)=S ZINC000021008658 171285528 /nfs/dbraw/zinc/28/55/28/171285528.db2.gz AWLJMPHBBZKTMV-BZPMIXESSA-N 0 0 292.448 3.555 10 0 CHAERN CCC[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000021009681 171286218 /nfs/dbraw/zinc/28/62/18/171286218.db2.gz GRZNVTHPUARTPS-RXMQYKEDSA-N 0 0 253.214 3.983 10 0 CHAERN CCCCCNc1cc(Cl)c(OC)cc1OC ZINC000021061631 171297278 /nfs/dbraw/zinc/29/72/78/171297278.db2.gz UFYFPZXIJKUAQT-UHFFFAOYSA-N 0 0 257.761 3.959 10 0 CHAERN CC(C)COc1ccc([C@@H](C)NCC(F)(F)F)cc1 ZINC000021503702 171306768 /nfs/dbraw/zinc/30/67/68/171306768.db2.gz KFRCPZCTXOWYLJ-LLVKDONJSA-N 0 0 275.314 3.934 10 0 CHAERN Cc1cc(C)cc(Oc2ccccc2C(N)=S)c1 ZINC000021513995 171311619 /nfs/dbraw/zinc/31/16/19/171311619.db2.gz JVFXMFGGHQUNFS-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN COc1ccc(C2(CNC(=O)C(C)(C)C)CCCC2)cc1 ZINC000021691138 171319272 /nfs/dbraw/zinc/31/92/72/171319272.db2.gz GOLVXTZSVPRKKD-UHFFFAOYSA-N 0 0 289.419 3.669 10 0 CHAERN NC(=S)c1cccnc1Nc1cc(Cl)cc(Cl)c1 ZINC000021813663 171330806 /nfs/dbraw/zinc/33/08/06/171330806.db2.gz PXPZAHKRBQHAOO-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN Cc1ccc(NC(=O)[C@H](C)Nc2cccc(C)c2)cc1 ZINC000021818443 171333728 /nfs/dbraw/zinc/33/37/28/171333728.db2.gz VLZICFKPSFXGKZ-AWEZNQCLSA-N 0 0 268.360 3.743 10 0 CHAERN COc1ccc(Oc2ccc3ccccc3n2)c(N)c1 ZINC000021961310 171342813 /nfs/dbraw/zinc/34/28/13/171342813.db2.gz UKXUKEADPMARJI-UHFFFAOYSA-N 0 0 266.300 3.618 10 0 CHAERN Cc1ccc(N)cc1NC(=O)c1ccc2ccccc2c1 ZINC000021963046 171343256 /nfs/dbraw/zinc/34/32/56/171343256.db2.gz VPXIIVJYRXVCBA-UHFFFAOYSA-N 0 0 276.339 3.983 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)C1CCCCC1 ZINC000022143073 171355439 /nfs/dbraw/zinc/35/54/39/171355439.db2.gz SQHBEUKLDNEHGA-UHFFFAOYSA-N 0 0 286.297 3.806 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)c1ccc2ccccc2n1 ZINC000022163488 171364798 /nfs/dbraw/zinc/36/47/98/171364798.db2.gz PIBGSHWITKEVHC-UHFFFAOYSA-N 0 0 297.745 3.723 10 0 CHAERN Nc1ccccc1OCc1cccc(Br)c1 ZINC000022223422 171379220 /nfs/dbraw/zinc/37/92/20/171379220.db2.gz PFFXZTCDDHVONF-UHFFFAOYSA-N 0 0 278.149 3.610 10 0 CHAERN CCCc1cc(=O)c2ccc(Cl)c(Cl)c2[nH]1 ZINC000032099927 171696803 /nfs/dbraw/zinc/69/68/03/171696803.db2.gz VYTVBTLWBVDRTI-UHFFFAOYSA-N 0 0 256.132 3.787 10 0 CHAERN CCc1ccc2cc(/C=C/[N+](=O)[O-])c(Cl)nc2c1 ZINC000032099804 171696915 /nfs/dbraw/zinc/69/69/15/171696915.db2.gz QRANOURNMJPIKF-AATRIKPKSA-N 0 0 262.696 3.698 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)N1CCc2ccccc21 ZINC000033329204 171784576 /nfs/dbraw/zinc/78/45/76/171784576.db2.gz UVGYLKSCKXSMSM-KTKRTIGZSA-N 0 0 283.758 3.943 10 0 CHAERN COC(=O)c1cc(Cl)cc(Cl)c1NCC(C)C ZINC000033494769 171807256 /nfs/dbraw/zinc/80/72/56/171807256.db2.gz YNEGDHFCLZOUTM-UHFFFAOYSA-N 0 0 276.163 3.848 10 0 CHAERN FC(F)(F)Oc1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000033822037 171821844 /nfs/dbraw/zinc/82/18/44/171821844.db2.gz XQKICFGZSQFAOB-UHFFFAOYSA-N 0 0 289.644 3.772 10 0 CHAERN COc1ccccc1C(=O)c1sccc1Br ZINC000034225242 171834918 /nfs/dbraw/zinc/83/49/18/171834918.db2.gz KATVAXUOKXKNKR-UHFFFAOYSA-N 0 0 297.173 3.750 10 0 CHAERN Cc1ccc(OCc2ccccc2Br)c(N)c1 ZINC000034601147 171845233 /nfs/dbraw/zinc/84/52/33/171845233.db2.gz CJEOSDKIDUWKKN-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1F)C(=O)c1ccccc1 ZINC000034980929 171913574 /nfs/dbraw/zinc/91/35/74/171913574.db2.gz IHCNMYOPJKLTFS-SNVBAGLBSA-N 0 0 262.255 3.615 10 0 CHAERN O=C(CN1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000035022330 171941555 /nfs/dbraw/zinc/94/15/55/171941555.db2.gz QCSMFAGYAFRKHG-UHFFFAOYSA-N 0 0 271.747 3.585 10 0 CHAERN Nc1ccc(Sc2ccccc2)c2cccnc12 ZINC000035059982 171962006 /nfs/dbraw/zinc/96/20/06/171962006.db2.gz ADQRNWYNIUVYGV-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN Nc1ccc(SCc2ccco2)c2cccnc12 ZINC000035060003 171962221 /nfs/dbraw/zinc/96/22/21/171962221.db2.gz HRDKETDNWNIMIU-UHFFFAOYSA-N 0 0 256.330 3.702 10 0 CHAERN O=C(NC1CCCCCC1)c1c[nH]c2ccccc12 ZINC000035134649 172001482 /nfs/dbraw/zinc/00/14/82/172001482.db2.gz QLYMNXSNQDVBHY-UHFFFAOYSA-N 0 0 256.349 3.621 10 0 CHAERN Cc1ccc(F)c(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000035134749 172001640 /nfs/dbraw/zinc/00/16/40/172001640.db2.gz MARQMYGXPPXNQR-UHFFFAOYSA-N 0 0 268.291 3.868 10 0 CHAERN Fc1cc(Br)ccc1NC[C@@H]1CCCCO1 ZINC000035150792 172013405 /nfs/dbraw/zinc/01/34/05/172013405.db2.gz MWAGHSBNDVSHDM-JTQLQIEISA-N 0 0 288.160 3.569 10 0 CHAERN FC(F)(F)c1ccccc1NC[C@H]1CCCCO1 ZINC000035150739 172013501 /nfs/dbraw/zinc/01/35/01/172013501.db2.gz XIGKDYPFNFTLGT-SNVBAGLBSA-N 0 0 259.271 3.686 10 0 CHAERN C=CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000035160164 172018797 /nfs/dbraw/zinc/01/87/97/172018797.db2.gz YWLVJQORXVMVHX-UHFFFAOYSA-N 0 0 264.737 3.588 10 0 CHAERN Cc1ccc(C(C)C)c(OCC(=O)c2ccco2)c1 ZINC000035182053 172035673 /nfs/dbraw/zinc/03/56/73/172035673.db2.gz DDOHCRCTEZBZGI-UHFFFAOYSA-N 0 0 258.317 3.973 10 0 CHAERN C[C@H](Oc1ccccc1F)C(=O)c1ccc(F)c(F)c1 ZINC000035183546 172036580 /nfs/dbraw/zinc/03/65/80/172036580.db2.gz FKJMIEKDQHNLMY-VIFPVBQESA-N 0 0 280.245 3.754 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000035183655 172036919 /nfs/dbraw/zinc/03/69/19/172036919.db2.gz APFABONRWGMPDM-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(C)c(C)c2)c1 ZINC000035183744 172037476 /nfs/dbraw/zinc/03/74/76/172037476.db2.gz WSZPEAXSEAEHGI-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN COc1cc(C)ccc1OCC(=O)c1ccc(Cl)cc1 ZINC000035184734 172038121 /nfs/dbraw/zinc/03/81/21/172038121.db2.gz MZTXFZYCKVCZSM-UHFFFAOYSA-N 0 0 290.746 3.919 10 0 CHAERN COc1ccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035184169 172038257 /nfs/dbraw/zinc/03/82/57/172038257.db2.gz XCJLNFUSAQICCD-LLVKDONJSA-N 0 0 290.746 3.999 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c(C)c1 ZINC000035199481 172044548 /nfs/dbraw/zinc/04/45/48/172044548.db2.gz SYZVOZPXXAHLIA-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@H]1CCCCN1c1n[nH]c(=S)n1C1CCCCC1 ZINC000035222033 172064979 /nfs/dbraw/zinc/06/49/79/172064979.db2.gz NWFAQZQKUUBUAE-NSHDSACASA-N 0 0 280.441 3.825 10 0 CHAERN Cc1nc(CN[C@H](C)c2cc(F)ccc2F)cs1 ZINC000035256260 172086494 /nfs/dbraw/zinc/08/64/94/172086494.db2.gz SWFOTZUPEALXRB-MRVPVSSYSA-N 0 0 268.332 3.581 10 0 CHAERN Cc1ccc(NC(=O)Nc2cccc(N)c2C)cc1 ZINC000035282652 172101568 /nfs/dbraw/zinc/10/15/68/172101568.db2.gz ZSUCLPJKAGVIIO-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cn1ncc2c1CCC[C@@H]2Nc1cc(Cl)ccc1F ZINC000035283907 172101830 /nfs/dbraw/zinc/10/18/30/172101830.db2.gz IBOUMOSTSGSHSH-LBPRGKRZSA-N 0 0 279.746 3.702 10 0 CHAERN Cc1[nH]c(-c2ccccc2Cl)nc1C(=O)OC(C)C ZINC000035320745 172123879 /nfs/dbraw/zinc/12/38/79/172123879.db2.gz YYTAHEQIQUUZEF-UHFFFAOYSA-N 0 0 278.739 3.604 10 0 CHAERN CCCS(=O)(=O)c1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000035348387 172142306 /nfs/dbraw/zinc/14/23/06/172142306.db2.gz BONZSVYJQVMFAC-ZDUSSCGKSA-N 0 0 283.437 3.717 10 0 CHAERN COc1ccc(C(=O)c2cc3c(s2)CCCC3)cc1 ZINC000035368846 172160253 /nfs/dbraw/zinc/16/02/53/172160253.db2.gz DOGLKCKUGBQGDP-UHFFFAOYSA-N 0 0 272.369 3.867 10 0 CHAERN CCOc1ccc(C(=O)c2cc3c(s2)CCC3)cc1 ZINC000035368832 172160365 /nfs/dbraw/zinc/16/03/65/172160365.db2.gz DSNSQYBYXHSQCK-UHFFFAOYSA-N 0 0 272.369 3.867 10 0 CHAERN CCOc1ccc(C(=O)c2ccsc2)cc1OCC ZINC000035368539 172160479 /nfs/dbraw/zinc/16/04/79/172160479.db2.gz NFNQCXUJGBSJJD-UHFFFAOYSA-N 0 0 276.357 3.777 10 0 CHAERN O=C(c1ccsc1)c1cc2c(cc1Cl)OCCCO2 ZINC000035369573 172161640 /nfs/dbraw/zinc/16/16/40/172161640.db2.gz FIFZVEKJPFJBIU-UHFFFAOYSA-N 0 0 294.759 3.794 10 0 CHAERN COc1ccc(C(=O)c2c(F)cccc2Cl)cc1F ZINC000035423953 172192567 /nfs/dbraw/zinc/19/25/67/172192567.db2.gz DTJGCEHORKMZKH-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN CN[C@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000035491627 172225487 /nfs/dbraw/zinc/22/54/87/172225487.db2.gz UQGPBUIYVVTLPK-AWEZNQCLSA-N 0 0 267.706 3.927 10 0 CHAERN CCCN[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000035575164 172271970 /nfs/dbraw/zinc/27/19/70/172271970.db2.gz XOMHGLDIFBCXLI-SNVBAGLBSA-N 0 0 251.679 3.943 10 0 CHAERN C[C@@H](O)c1ccccc1OCc1cccc(Cl)c1 ZINC000035627031 172305388 /nfs/dbraw/zinc/30/53/88/172305388.db2.gz NZFPJXPMOPEUFK-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000035626363 172305823 /nfs/dbraw/zinc/30/58/23/172305823.db2.gz UKLBFVFAGQACSC-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN Cc1cc2ncn(-c3ccc([C@H](C)O)cc3)c2cc1C ZINC000035631821 172313592 /nfs/dbraw/zinc/31/35/92/172313592.db2.gz FCFKSRROOGWTLK-ZDUSSCGKSA-N 0 0 266.344 3.696 10 0 CHAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000035632281 172315092 /nfs/dbraw/zinc/31/50/92/172315092.db2.gz XSRKZHCKAGAKEN-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COc1ccc(Oc2cccc(F)c2[C@H](C)O)cc1 ZINC000035632364 172315119 /nfs/dbraw/zinc/31/51/19/172315119.db2.gz SJXZPPAQWZFSCX-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN C[C@H](O)c1ccccc1N1c2ccccc2C[C@@H]1C ZINC000035650455 172326467 /nfs/dbraw/zinc/32/64/67/172326467.db2.gz LVOKKXOYAIKDAT-STQMWFEESA-N 0 0 253.345 3.823 10 0 CHAERN Cc1ccc(CN(C)c2ccccc2[C@@H](C)O)cc1 ZINC000035650507 172326663 /nfs/dbraw/zinc/32/66/63/172326663.db2.gz LXOAIFHFHFLHRK-CQSZACIVSA-N 0 0 255.361 3.685 10 0 CHAERN OCc1cc(Cl)cc(Cl)c1OCc1cscn1 ZINC000035662612 172340018 /nfs/dbraw/zinc/34/00/18/172340018.db2.gz LBXBZRACOLQEIX-UHFFFAOYSA-N 0 0 290.171 3.521 10 0 CHAERN C[C@H](Nc1ccc(Br)cc1N)c1ccccn1 ZINC000035694697 172363720 /nfs/dbraw/zinc/36/37/20/172363720.db2.gz QJNVXKCRKIKDQG-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717893 172372429 /nfs/dbraw/zinc/37/24/29/172372429.db2.gz BJMOKFJEMSOSQM-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN C[C@@H]([C@@H]1CCCO1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035736449 172389369 /nfs/dbraw/zinc/38/93/69/172389369.db2.gz NRALLGJXFYITMX-FZMZJTMJSA-N 0 0 274.389 3.953 10 0 CHAERN Cc1nc([C@H](C)N[C@@H](C)c2ccco2)c(C)s1 ZINC000035738566 172391313 /nfs/dbraw/zinc/39/13/13/172391313.db2.gz BWCDTVLSVMMLFX-IUCAKERBSA-N 0 0 250.367 3.765 10 0 CHAERN C[C@H](Nc1ccc2scnc2c1N)c1ccco1 ZINC000035739163 172393499 /nfs/dbraw/zinc/39/34/99/172393499.db2.gz IBFKPGJMVXWUFF-QMMMGPOBSA-N 0 0 259.334 3.645 10 0 CHAERN COC(=O)C[C@H](C)Sc1ccc2ccccc2c1 ZINC000035741139 172394756 /nfs/dbraw/zinc/39/47/56/172394756.db2.gz MWZDJAACKHCUEJ-NSHDSACASA-N 0 0 260.358 3.884 10 0 CHAERN COC(=O)[C@@H](C)CNc1c(Cl)cc(Cl)cc1Cl ZINC000035758527 172398360 /nfs/dbraw/zinc/39/83/60/172398360.db2.gz QCMQCQIQUMKTPO-LURJTMIESA-N 0 0 296.581 3.868 10 0 CHAERN Cc1ccc(NC(=O)Nc2ccccc2Cl)c(N)c1 ZINC000035782084 172415778 /nfs/dbraw/zinc/41/57/78/172415778.db2.gz NESDNIDSZVWSBF-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN CCOC(=O)CCOc1ccc(Cl)c2ccccc12 ZINC000036671099 172648517 /nfs/dbraw/zinc/64/85/17/172648517.db2.gz VFCINJQZKKNBAK-UHFFFAOYSA-N 0 0 278.735 3.825 10 0 CHAERN COc1ccc(N)cc1COc1cccc(Cl)c1 ZINC000036722286 172659883 /nfs/dbraw/zinc/65/98/83/172659883.db2.gz RDPXUAHAWYLSKX-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1n[nH]c(C)c1N[C@H]1CCSc2ccccc21 ZINC000036735995 172666019 /nfs/dbraw/zinc/66/60/19/172666019.db2.gz HANFFKCXEKHKJP-LBPRGKRZSA-N 0 0 259.378 3.676 10 0 CHAERN Clc1ccnc(-c2ccccc2Br)n1 ZINC000036882241 172778891 /nfs/dbraw/zinc/77/88/91/172778891.db2.gz HVQRUINAHQUZLY-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1ccc(Nc2ccc(C(N)=S)cc2F)cc1F ZINC000036887259 172783052 /nfs/dbraw/zinc/78/30/52/172783052.db2.gz ASIZJEGQXHQHFX-UHFFFAOYSA-N 0 0 278.327 3.651 10 0 CHAERN CCC[C@H](C)c1nn(-c2ccccc2)c(N)c1CC ZINC000036916380 172801655 /nfs/dbraw/zinc/80/16/55/172801655.db2.gz JJMHKWWGANAVNE-LBPRGKRZSA-N 0 0 257.381 3.921 10 0 CHAERN COc1ccc(Cl)cc1-c1c(N)onc1[C@H]1C[C@@H]1C ZINC000036937312 172815705 /nfs/dbraw/zinc/81/57/05/172815705.db2.gz REPGJGICUPWGRX-CBAPKCEASA-N 0 0 278.739 3.709 10 0 CHAERN CCCCc1nn(C)c(N)c1-c1cccc(Cl)c1 ZINC000036937552 172816071 /nfs/dbraw/zinc/81/60/71/172816071.db2.gz NTPMAPOSRHUNBT-UHFFFAOYSA-N 0 0 263.772 3.665 10 0 CHAERN CCC[C@@H](C)CNc1ccc(Cl)cc1C(=O)OC ZINC000036941079 172818303 /nfs/dbraw/zinc/81/83/03/172818303.db2.gz LQPDTMGSADRDCC-SNVBAGLBSA-N 0 0 269.772 3.975 10 0 CHAERN Fc1ccc(CNc2cccnc2Cl)cc1F ZINC000036982615 172849332 /nfs/dbraw/zinc/84/93/32/172849332.db2.gz DZUJXZYZNPUWRS-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN CCOc1nc(Nc2ccc(F)c(Cl)c2)ccc1N ZINC000037067894 172930630 /nfs/dbraw/zinc/93/06/30/172930630.db2.gz JPNULOPEBKSDOM-UHFFFAOYSA-N 0 0 281.718 3.599 10 0 CHAERN CC(C)(C)Oc1nc(Sc2ccccc2)ccc1N ZINC000037077752 172935224 /nfs/dbraw/zinc/93/52/24/172935224.db2.gz LLXZZKYVBDCNAU-UHFFFAOYSA-N 0 0 274.389 3.992 10 0 CHAERN C[C@H](Nc1ccccc1N(C)C)c1ccc(O)cc1 ZINC000037086182 172943613 /nfs/dbraw/zinc/94/36/13/172943613.db2.gz LKVBGPACUUIAGU-LBPRGKRZSA-N 0 0 256.349 3.631 10 0 CHAERN COc1ccc(NCc2ccco2)cc1OC(F)F ZINC000037101012 172955104 /nfs/dbraw/zinc/95/51/04/172955104.db2.gz RJGCKIYRASFGQJ-UHFFFAOYSA-N 0 0 269.247 3.502 10 0 CHAERN COC(=O)c1cc(F)ccc1N[C@H]1CCC[C@H](C)C1 ZINC000037119782 172969145 /nfs/dbraw/zinc/96/91/45/172969145.db2.gz WTRZMSZXUOQDJJ-JQWIXIFHSA-N 0 0 265.328 3.603 10 0 CHAERN Cc1ccc(N[C@@H](C)c2cccc(O)c2)c(C)c1O ZINC000037130584 172974132 /nfs/dbraw/zinc/97/41/32/172974132.db2.gz MWUSHCIBHAKHLM-LBPRGKRZSA-N 0 0 257.333 3.888 10 0 CHAERN NC(=O)Nc1ccc(NC2CCCCCCC2)cc1 ZINC000037136356 172977153 /nfs/dbraw/zinc/97/71/53/172977153.db2.gz DANRXQFLGJAZSB-UHFFFAOYSA-N 0 0 261.369 3.702 10 0 CHAERN Nc1cccc(Cl)c1SCc1cn2ccccc2n1 ZINC000037204337 173026548 /nfs/dbraw/zinc/02/65/48/173026548.db2.gz OKDSBCKGIJULNG-UHFFFAOYSA-N 0 0 289.791 3.862 10 0 CHAERN Cc1cccc(-c2nc3cc(F)ccc3s2)c1N ZINC000037205201 173027510 /nfs/dbraw/zinc/02/75/10/173027510.db2.gz AZSHKBZVJFQBNM-UHFFFAOYSA-N 0 0 258.321 3.993 10 0 CHAERN Clc1ccc([C@@H](NC[C@@H]2CCCO2)c2ccco2)s1 ZINC000037215274 173035193 /nfs/dbraw/zinc/03/51/93/173035193.db2.gz XZLUKZKZPQGDRM-HZMBPMFUSA-N 0 0 297.807 3.853 10 0 CHAERN CCN(C)C(=O)CNc1cc(Cl)c(Cl)cc1Cl ZINC000037223234 173043478 /nfs/dbraw/zinc/04/34/78/173043478.db2.gz SBCCAPNIXFIRAR-UHFFFAOYSA-N 0 0 295.597 3.537 10 0 CHAERN Cc1nn(C)c(C)c1NCc1cc(C)c(C)cc1C ZINC000037230992 173049934 /nfs/dbraw/zinc/04/99/34/173049934.db2.gz CNZGUANLNJHZSH-UHFFFAOYSA-N 0 0 257.381 3.574 10 0 CHAERN CCCc1ccc(NCc2nccn2C(F)F)cc1 ZINC000037250792 173063167 /nfs/dbraw/zinc/06/31/67/173063167.db2.gz SNUBQVQMHGRXFF-UHFFFAOYSA-N 0 0 265.307 3.843 10 0 CHAERN COc1ccc([C@H](C)N[C@@H](C)c2ccco2)c(F)c1 ZINC000037260323 173070772 /nfs/dbraw/zinc/07/07/72/173070772.db2.gz OUKZBRHLVNVYPL-QWRGUYRKSA-N 0 0 263.312 3.839 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1ccc2nc(C)sc2c1 ZINC000037278482 173088385 /nfs/dbraw/zinc/08/83/85/173088385.db2.gz RWUFYJHFYBTCKB-GXTWGEPZSA-N 0 0 276.405 3.974 10 0 CHAERN CO[C@H]1CCCC[C@@H]1Nc1cnc2ccccc2c1 ZINC000037284145 173091027 /nfs/dbraw/zinc/09/10/27/173091027.db2.gz BOZKFNHPEHUGGZ-HOTGVXAUSA-N 0 0 256.349 3.604 10 0 CHAERN CC[C@@H](Nc1cc(C(=O)N(C)C)ccc1C)C(C)C ZINC000037292953 173097598 /nfs/dbraw/zinc/09/75/98/173097598.db2.gz BHUIESYUYXIXHZ-CQSZACIVSA-N 0 0 262.397 3.543 10 0 CHAERN CC(C)c1nn(C)cc1CNc1ccc(Cl)c(F)c1 ZINC000037301138 173107274 /nfs/dbraw/zinc/10/72/74/173107274.db2.gz JENSPXBSHDQHKM-UHFFFAOYSA-N 0 0 281.762 3.948 10 0 CHAERN CCn1c2ccccc2nc1-c1ccc(N)c(C)c1 ZINC000037323573 173124479 /nfs/dbraw/zinc/12/44/79/173124479.db2.gz GFUGPBBTPALRQV-UHFFFAOYSA-N 0 0 251.333 3.614 10 0 CHAERN COC(=O)c1sc(-c2cc3ccccc3o2)cc1N ZINC000037337638 173138380 /nfs/dbraw/zinc/13/83/80/173138380.db2.gz XHIQJXAGRAPVBH-UHFFFAOYSA-N 0 0 273.313 3.530 10 0 CHAERN C[C@H]1CCCC[C@H]1OCC(=O)c1ccc(F)cc1F ZINC000037343605 173143142 /nfs/dbraw/zinc/14/31/42/173143142.db2.gz VKYBKULRUKYTAT-ZUZCIYMTSA-N 0 0 268.303 3.743 10 0 CHAERN CCC[C@H](C)c1[nH]nc(N)c1-c1ccccc1OC ZINC000037349158 173143649 /nfs/dbraw/zinc/14/36/49/173143649.db2.gz STOGULTVLSHVHG-JTQLQIEISA-N 0 0 259.353 3.571 10 0 CHAERN CCOc1ccc(-c2c(N)n[nH]c2[C@H](C)CC)cc1 ZINC000037349516 173144868 /nfs/dbraw/zinc/14/48/68/173144868.db2.gz JVCJKKPGYDTIME-SNVBAGLBSA-N 0 0 259.353 3.571 10 0 CHAERN CCCC[C@@H](CC)C(=O)c1ccc2c(c1)OCCO2 ZINC000037354108 173147117 /nfs/dbraw/zinc/14/71/17/173147117.db2.gz DFMMSDMYXSPELH-GFCCVEGCSA-N 0 0 262.349 3.857 10 0 CHAERN Cc1ccc(C(=O)c2c(F)cc(F)cc2F)cc1C ZINC000037358932 173148730 /nfs/dbraw/zinc/14/87/30/173148730.db2.gz DZVWLRDEOLSZAP-UHFFFAOYSA-N 0 0 264.246 3.952 10 0 CHAERN COc1cccc(CC(=O)c2ccc(C)c(C)c2)c1 ZINC000037363182 173153209 /nfs/dbraw/zinc/15/32/09/173153209.db2.gz PVMYTSVBTMEXIM-UHFFFAOYSA-N 0 0 254.329 3.737 10 0 CHAERN Nc1cccc(Br)c1COCc1ccccc1 ZINC000037402041 173179190 /nfs/dbraw/zinc/17/91/90/173179190.db2.gz HHYSJNQDYDMCBO-UHFFFAOYSA-N 0 0 292.176 3.748 10 0 CHAERN CCc1ccc(OCc2c(C)nn(C)c2Cl)cc1 ZINC000037408790 173184841 /nfs/dbraw/zinc/18/48/41/173184841.db2.gz VXQASAJVXPHUOR-UHFFFAOYSA-N 0 0 264.756 3.523 10 0 CHAERN CCc1cccc(OCc2c(C)nn(C)c2Cl)c1 ZINC000037408802 173185505 /nfs/dbraw/zinc/18/55/05/173185505.db2.gz AFGUUMHSUWESSJ-UHFFFAOYSA-N 0 0 264.756 3.523 10 0 CHAERN CCCCCC(CCCCC)[NH2+]CCCC(=O)[O-] ZINC000037417868 173195560 /nfs/dbraw/zinc/19/55/60/173195560.db2.gz BBMJOSKFHTWZGR-UHFFFAOYSA-N 0 0 257.418 3.970 10 0 CHAERN Nc1c(F)cccc1N(Cc1ccccc1)C1CC1 ZINC000037419772 173196699 /nfs/dbraw/zinc/19/66/99/173196699.db2.gz WRDHGCJKPZYHIC-UHFFFAOYSA-N 0 0 256.324 3.577 10 0 CHAERN C[C@H](c1ccccn1)n1c2cccc(F)c2[nH]c1=S ZINC000037422818 173198538 /nfs/dbraw/zinc/19/85/38/173198538.db2.gz GODQJNVMDGSPKS-SECBINFHSA-N 0 0 273.336 3.842 10 0 CHAERN CCOC(=O)[C@H](NC(C)C)c1cc(Cl)cc(Cl)c1 ZINC000037446276 173213297 /nfs/dbraw/zinc/21/32/97/173213297.db2.gz GYNAUUHRYQYCEP-GFCCVEGCSA-N 0 0 290.190 3.596 10 0 CHAERN C[C@](O)(Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037530705 173253029 /nfs/dbraw/zinc/25/30/29/173253029.db2.gz JSOBVIGJAIPTET-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000037532734 173253667 /nfs/dbraw/zinc/25/36/67/173253667.db2.gz AAGCSMOGFMUEJC-CQSZACIVSA-N 0 0 264.727 3.625 10 0 CHAERN Cc1cccc(C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532508 173253831 /nfs/dbraw/zinc/25/38/31/173253831.db2.gz QMGBPSVWRXKGHV-MRXNPFEDSA-N 0 0 260.764 3.795 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000037532245 173253876 /nfs/dbraw/zinc/25/38/76/173253876.db2.gz SYCNXPSYZKQJPM-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN COc1ccc([C@@H](O)c2ccc(C(C)C)cc2)cc1 ZINC000037532428 173253910 /nfs/dbraw/zinc/25/39/10/173253910.db2.gz DKPPNLYNCJJCQJ-KRWDZBQOSA-N 0 0 256.345 3.900 10 0 CHAERN Cn1ccc(N[C@@H]2CCOc3c(Cl)cc(Cl)cc32)n1 ZINC000037560827 173270944 /nfs/dbraw/zinc/27/09/44/173270944.db2.gz AZKGKNGNLHQMTI-LLVKDONJSA-N 0 0 298.173 3.663 10 0 CHAERN CCCCCCOc1nc(Cl)c(C(=O)OC)s1 ZINC000037578906 173526321 /nfs/dbraw/zinc/52/63/21/173526321.db2.gz CDLILPMOGUDEFX-UHFFFAOYSA-N 0 0 277.773 3.542 10 0 CHAERN Nc1ccc2nc(NCCC3CCCC3)ccc2c1 ZINC000037741123 173662984 /nfs/dbraw/zinc/66/29/84/173662984.db2.gz QBVZEVDXMARWFT-UHFFFAOYSA-N 0 0 255.365 3.809 10 0 CHAERN CSCCCNc1ccc(OC(F)F)c(F)c1 ZINC000037776643 173708575 /nfs/dbraw/zinc/70/85/75/173708575.db2.gz MVHXWJAQIGILKT-UHFFFAOYSA-N 0 0 265.300 3.592 10 0 CHAERN CO[C@H]1CCCC[C@@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000037781289 173711748 /nfs/dbraw/zinc/71/17/48/173711748.db2.gz LDWAXZIOEHTEEV-ZFWWWQNUSA-N 0 0 282.815 3.776 10 0 CHAERN CCOC(=O)[C@H](Nc1ccc(C)cc1)c1ccsc1 ZINC000037953542 173895468 /nfs/dbraw/zinc/89/54/68/173895468.db2.gz AFTMJUCBNYMZCM-CQSZACIVSA-N 0 0 275.373 3.773 10 0 CHAERN COC(=O)[C@H](Nc1ccccc1Cl)c1ccsc1 ZINC000037955182 173896749 /nfs/dbraw/zinc/89/67/49/173896749.db2.gz XPIFRRDBQQLJSG-GFCCVEGCSA-N 0 0 281.764 3.728 10 0 CHAERN CCCCc1ccc([C@H](C)NCc2nc(C)no2)cc1 ZINC000038034317 174032648 /nfs/dbraw/zinc/03/26/48/174032648.db2.gz UJZGHWVBGPOXQR-LBPRGKRZSA-N 0 0 273.380 3.571 10 0 CHAERN Nc1cc(F)c(Nc2cccc3cccnc32)c(F)c1 ZINC000038039956 174039559 /nfs/dbraw/zinc/03/95/59/174039559.db2.gz GHXCLBMIMLLQHZ-UHFFFAOYSA-N 0 0 271.270 3.839 10 0 CHAERN Nc1cc(F)c(Oc2ccccc2Cl)c(F)c1 ZINC000038040266 174040491 /nfs/dbraw/zinc/04/04/91/174040491.db2.gz SMJWPKAUCBVVJQ-UHFFFAOYSA-N 0 0 255.651 3.993 10 0 CHAERN CC(C)(C)c1nc(COc2ccccc2N)cs1 ZINC000038055993 174067184 /nfs/dbraw/zinc/06/71/84/174067184.db2.gz YBJQGTRWAKXJAR-UHFFFAOYSA-N 0 0 262.378 3.602 10 0 CHAERN Cc1ccc(C(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000038057542 174068101 /nfs/dbraw/zinc/06/81/01/174068101.db2.gz MGJWRGGXBUAFPO-UHFFFAOYSA-N 0 0 252.313 3.551 10 0 CHAERN CSCCCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000038063583 174074424 /nfs/dbraw/zinc/07/44/24/174074424.db2.gz YPAYZPJTQDVWER-UHFFFAOYSA-N 0 0 293.219 3.657 10 0 CHAERN CC[C@H](C)N[C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066613 174077324 /nfs/dbraw/zinc/07/73/24/174077324.db2.gz VGNXQTOMYAPWHC-NHYWBVRUSA-N 0 0 283.799 3.506 10 0 CHAERN O=Cc1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000038069556 174081175 /nfs/dbraw/zinc/08/11/75/174081175.db2.gz QIGNJMFCDBKPKP-UHFFFAOYSA-N 0 0 251.260 3.853 10 0 CHAERN O[C@@]1(c2ccccc2Cl)CCc2ccccc2C1 ZINC000038078290 174088063 /nfs/dbraw/zinc/08/80/63/174088063.db2.gz KBSODNWPBHUOLR-INIZCTEOSA-N 0 0 258.748 3.717 10 0 CHAERN COC(=O)c1sc(Oc2cc(C)cc(C)c2)nc1Cl ZINC000038082283 174091072 /nfs/dbraw/zinc/09/10/72/174091072.db2.gz PSNXQOMHONHTAR-UHFFFAOYSA-N 0 0 297.763 3.992 10 0 CHAERN Cc1ncc(N)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000038094985 174108816 /nfs/dbraw/zinc/10/88/16/174108816.db2.gz IXXFCROXWGTMLO-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN CSc1ccc2c(c1)[nH]c(-c1ccccc1)cc2=O ZINC000038314377 174139402 /nfs/dbraw/zinc/13/94/02/174139402.db2.gz UJUIJUGNIZPQKP-UHFFFAOYSA-N 0 0 267.353 3.917 10 0 CHAERN O=C1O[C@H](c2ccccc2)[C@H]2c3ccsc3CCN12 ZINC000039136207 174164307 /nfs/dbraw/zinc/16/43/07/174164307.db2.gz XMZXCFPRPRNQAV-ZIAGYGMSSA-N 0 0 271.341 3.539 10 0 CHAERN O=Cc1cccc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000039927780 174174781 /nfs/dbraw/zinc/17/47/81/174174781.db2.gz WUQHNOVKDMKLCZ-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN CCCCc1ccc(C(=O)OCC)cc1Br ZINC000039951911 174176102 /nfs/dbraw/zinc/17/61/02/174176102.db2.gz RWNCXKJYQMAKTO-UHFFFAOYSA-N 0 0 285.181 3.968 10 0 CHAERN O=C(Nc1ccc2c(c1)CC=CCO2)OCc1ccccc1 ZINC000039941626 174176591 /nfs/dbraw/zinc/17/65/91/174176591.db2.gz DCFHYLCVPJXQHZ-UHFFFAOYSA-N 0 0 295.338 3.926 10 0 CHAERN O[C@H](c1cccs1)c1cccc(Br)c1 ZINC000040237796 174212017 /nfs/dbraw/zinc/21/20/17/174212017.db2.gz CJWUYGOKIMUCBI-NSHDSACASA-N 0 0 269.163 3.592 10 0 CHAERN COc1ccc([C@@H](O)c2cccs2)cc1Br ZINC000040241401 174213367 /nfs/dbraw/zinc/21/33/67/174213367.db2.gz RFMXBKCNKXOFCA-GFCCVEGCSA-N 0 0 299.189 3.601 10 0 CHAERN O[C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000040243301 174214198 /nfs/dbraw/zinc/21/41/98/174214198.db2.gz KLGQFQQODFUYHK-CYBMUJFWSA-N 0 0 281.124 3.670 10 0 CHAERN COc1ccccc1C[C@@H](O)c1ccc(Cl)cc1 ZINC000040243930 174214407 /nfs/dbraw/zinc/21/44/07/174214407.db2.gz JQXKGOBEKLNIDY-CQSZACIVSA-N 0 0 262.736 3.625 10 0 CHAERN CCOc1ccccc1[C@H](O)c1ccc(Cl)cc1 ZINC000040243815 174214412 /nfs/dbraw/zinc/21/44/12/174214412.db2.gz CIFCMUHNBUFDBW-OAHLLOKOSA-N 0 0 262.736 3.820 10 0 CHAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1ccccc1 ZINC000040295906 174223657 /nfs/dbraw/zinc/22/36/57/174223657.db2.gz CAKXCZHIGDPOAV-UHFFFAOYSA-N 0 0 291.354 3.552 10 0 CHAERN CCCCCCn1c2cc(C)c(C)cc2nc1CCO ZINC000040310634 174230449 /nfs/dbraw/zinc/23/04/49/174230449.db2.gz XJBZDCHWMAOYOZ-UHFFFAOYSA-N 0 0 274.408 3.768 10 0 CHAERN Cc1nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2[nH]1 ZINC000040311858 174231205 /nfs/dbraw/zinc/23/12/05/174231205.db2.gz QQVXSNSREXUWSF-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN O=C(Cc1cc(-c2ccccc2)no1)Nc1ccc(F)cc1 ZINC000040325062 174235578 /nfs/dbraw/zinc/23/55/78/174235578.db2.gz BRWIPVZOMMWMQN-UHFFFAOYSA-N 0 0 296.301 3.662 10 0 CHAERN Nc1cccc(OC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000040352124 174245095 /nfs/dbraw/zinc/24/50/95/174245095.db2.gz DJDAKGLVOYKLCK-AWEZNQCLSA-N 0 0 298.169 3.688 10 0 CHAERN CC[C@H](Oc1ccccc1N)C(=O)c1ccc(C)cc1 ZINC000040352512 174245170 /nfs/dbraw/zinc/24/51/70/174245170.db2.gz DGYCRBBZSWLYHO-HNNXBMFYSA-N 0 0 269.344 3.618 10 0 CHAERN C[C@@H](Oc1cccc(N)c1)C(=O)c1ccc(Cl)cc1 ZINC000040353648 174245345 /nfs/dbraw/zinc/24/53/45/174245345.db2.gz DJDJHJHPGFTORM-SNVBAGLBSA-N 0 0 275.735 3.572 10 0 CHAERN COCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040404649 174253607 /nfs/dbraw/zinc/25/36/07/174253607.db2.gz GJMVNNTWYUNKAA-UHFFFAOYSA-N 0 0 266.772 3.634 10 0 CHAERN CCOCCCn1c(CC)nc2ccc(Cl)cc21 ZINC000040403212 174253841 /nfs/dbraw/zinc/25/38/41/174253841.db2.gz DZXNVGZFARKTBI-UHFFFAOYSA-N 0 0 266.772 3.679 10 0 CHAERN CCOCCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040405059 174254020 /nfs/dbraw/zinc/25/40/20/174254020.db2.gz TZJOPZJIBLVPQP-UHFFFAOYSA-N 0 0 266.772 3.850 10 0 CHAERN CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1OC ZINC000040852685 174420873 /nfs/dbraw/zinc/42/08/73/174420873.db2.gz FLUHCWKLZDUZRD-ZRDIBKRKSA-N 0 0 298.338 3.713 10 0 CHAERN COc1cccc(-c2cn3c(C)c(C)sc3n2)c1 ZINC000041005790 174448559 /nfs/dbraw/zinc/44/85/59/174448559.db2.gz XKWPPDXKFXGIIV-UHFFFAOYSA-N 0 0 258.346 3.688 10 0 CHAERN CCCOc1ccc(C(=O)c2ccccc2F)cc1 ZINC000041144289 174495235 /nfs/dbraw/zinc/49/52/35/174495235.db2.gz PWGQWQLGBMXWFA-UHFFFAOYSA-N 0 0 258.292 3.846 10 0 CHAERN Cc1ccc(C[C@H](CO)Cc2ccccc2F)cc1 ZINC000041342451 174526248 /nfs/dbraw/zinc/52/62/48/174526248.db2.gz FENATVHSSLTSSW-HNNXBMFYSA-N 0 0 258.336 3.528 10 0 CHAERN Cc1ccc(OCCNc2ccc(F)cc2)cc1C ZINC000041344778 174527357 /nfs/dbraw/zinc/52/73/57/174527357.db2.gz MNWOWWLBJVHGNW-UHFFFAOYSA-N 0 0 259.324 3.933 10 0 CHAERN CCC[C@@H](NC(=O)C(C)(C)Br)c1ccccc1 ZINC000041713030 174613766 /nfs/dbraw/zinc/61/37/66/174613766.db2.gz WVIAESFGESCBIU-GFCCVEGCSA-N 0 0 298.224 3.818 10 0 CHAERN COc1ncccc1N[C@@H](c1cccs1)C1CC1 ZINC000042330549 174687146 /nfs/dbraw/zinc/68/71/46/174687146.db2.gz SAHZVCVTJURFEM-CYBMUJFWSA-N 0 0 260.362 3.715 10 0 CHAERN CC(C)C[C@H](C)N(C)c1ccc(N)c2cccnc21 ZINC000042577873 174803486 /nfs/dbraw/zinc/80/34/86/174803486.db2.gz KMMWLJCRZQLINC-LBPRGKRZSA-N 0 0 257.381 3.688 10 0 CHAERN Cc1ccc([C@H](C)Nc2cc(N)cc(F)c2)s1 ZINC000042599664 174815668 /nfs/dbraw/zinc/81/56/68/174815668.db2.gz HHVMGAMCIYYMLE-VIFPVBQESA-N 0 0 250.342 3.951 10 0 CHAERN C[C@@H](Cc1ccsc1)Nc1cccc(F)c1N ZINC000042599358 174815993 /nfs/dbraw/zinc/81/59/93/174815993.db2.gz LLITXXOZHLITBC-VIFPVBQESA-N 0 0 250.342 3.513 10 0 CHAERN CCC(CC)N(CCOC)c1ccccc1C(C)=O ZINC000042680051 174834532 /nfs/dbraw/zinc/83/45/32/174834532.db2.gz JRBQGCQXQZCAAM-UHFFFAOYSA-N 0 0 263.381 3.531 10 0 CHAERN COc1ccc(CCC(=O)c2sccc2C)cc1 ZINC000042728611 174857978 /nfs/dbraw/zinc/85/79/78/174857978.db2.gz ZOIRDFJZVGFRFA-UHFFFAOYSA-N 0 0 260.358 3.881 10 0 CHAERN COc1ccc(NCc2ccc(O)c(Cl)c2)c(OC)c1 ZINC000043476677 175054619 /nfs/dbraw/zinc/05/46/19/175054619.db2.gz KDZDYYKJMSZTPO-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN CCN(C[C@@H](O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000043511760 175060368 /nfs/dbraw/zinc/06/03/68/175060368.db2.gz DFIZESKWQQYPEK-GOSISDBHSA-N 0 0 269.388 3.863 10 0 CHAERN O[C@@H]1c2ccccc2CC[C@@H]1Cc1cccc(F)c1 ZINC000043659552 175085709 /nfs/dbraw/zinc/08/57/09/175085709.db2.gz RFXUSPQZOHVGEL-PBHICJAKSA-N 0 0 256.320 3.664 10 0 CHAERN COc1ccc(C[C@H]2CCCC[C@H]2O)cc1Br ZINC000043658493 175085733 /nfs/dbraw/zinc/08/57/33/175085733.db2.gz ZKOKBKPZGONGES-DGCLKSJQSA-N 0 0 299.208 3.551 10 0 CHAERN Nc1ccccc1OCc1sccc1Br ZINC000043674183 175087818 /nfs/dbraw/zinc/08/78/18/175087818.db2.gz HGDVQZIFTYPUCM-UHFFFAOYSA-N 0 0 284.178 3.672 10 0 CHAERN O[C@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043677471 175088327 /nfs/dbraw/zinc/08/83/27/175088327.db2.gz SGNNJRHWYBQCPB-WPRPVWTQSA-N 0 0 275.211 3.604 10 0 CHAERN Brc1ccsc1COC[C@@H]1CCCCO1 ZINC000043679500 175090376 /nfs/dbraw/zinc/09/03/76/175090376.db2.gz NXTVZDMSZMJUSY-VIFPVBQESA-N 0 0 291.210 3.596 10 0 CHAERN Cn1cc(SCc2ccc(Br)s2)cn1 ZINC000043682202 175090889 /nfs/dbraw/zinc/09/08/89/175090889.db2.gz RMJBKDQVKFHSAX-UHFFFAOYSA-N 0 0 289.223 3.536 10 0 CHAERN Oc1cccc(OCc2cc(Br)cs2)c1 ZINC000043687962 175094934 /nfs/dbraw/zinc/09/49/34/175094934.db2.gz LKYGEXPDMLWVTC-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN Brc1csc(COCc2ccco2)c1 ZINC000043687511 175095090 /nfs/dbraw/zinc/09/50/90/175095090.db2.gz BWAHEPYMCHNMRA-UHFFFAOYSA-N 0 0 273.151 3.820 10 0 CHAERN CC(C)Oc1ccc([C@H](O)CN(C)c2ccccc2)cc1 ZINC000044116773 175141599 /nfs/dbraw/zinc/14/15/99/175141599.db2.gz IBODKILJQOVGSD-GOSISDBHSA-N 0 0 285.387 3.644 10 0 CHAERN COc1cccc(-c2nc(Br)cs2)c1 ZINC000044119694 175142822 /nfs/dbraw/zinc/14/28/22/175142822.db2.gz LMLBKSJCECQJAM-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN CC1(C)C[C@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000045135835 175313606 /nfs/dbraw/zinc/31/36/06/175313606.db2.gz WTJLCMFOCMDSPG-MRVPVSSYSA-N 0 0 251.380 3.640 10 0 CHAERN Cc1ccc(-c2noc3ncnc(Cl)c23)cc1C ZINC000049454143 175479156 /nfs/dbraw/zinc/47/91/56/175479156.db2.gz GNUIJZLHQKPGJA-UHFFFAOYSA-N 0 0 259.696 3.555 10 0 CHAERN CCc1nc(Nc2cccc(F)c2)nc(Cl)c1C ZINC000057331050 175592764 /nfs/dbraw/zinc/59/27/64/175592764.db2.gz CQUXWTSRDBFUGM-UHFFFAOYSA-N 0 0 265.719 3.884 10 0 CHAERN O=C(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCC1 ZINC000064677561 175697642 /nfs/dbraw/zinc/69/76/42/175697642.db2.gz MVRPKCBSPWHNRV-UHFFFAOYSA-N 0 0 298.411 3.924 10 0 CHAERN CC[C@@H](C)NC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000070236788 175882885 /nfs/dbraw/zinc/88/28/85/175882885.db2.gz JPBIZIWCCTVTJO-RXMQYKEDSA-N 0 0 281.570 3.570 10 0 CHAERN Fc1ccc(Br)cc1-c1nnc(Cl)s1 ZINC000071050242 176030332 /nfs/dbraw/zinc/03/03/32/176030332.db2.gz WQRYBAOTGQCDRF-UHFFFAOYSA-N 0 0 293.548 3.760 10 0 CHAERN CC(C)(C)c1nn(Cc2cccc(Cl)c2)cc1C=O ZINC000071193883 176075761 /nfs/dbraw/zinc/07/57/61/176075761.db2.gz DYHJQRHVCHQJGI-UHFFFAOYSA-N 0 0 276.767 3.695 10 0 CHAERN C[C@@H](Cc1cccs1)n1ccc2c1CCC[C@@H]2O ZINC000071271785 176104734 /nfs/dbraw/zinc/10/47/34/176104734.db2.gz UUIBLRHUESTJPO-NHYWBVRUSA-N 0 0 261.390 3.723 10 0 CHAERN C[C@H](O)c1c(Cl)[nH]c2ccc(Br)cc21 ZINC000071465455 176181583 /nfs/dbraw/zinc/18/15/83/176181583.db2.gz FLTNYAXMMDZLPV-YFKPBYRVSA-N 0 0 274.545 3.637 10 0 CHAERN CCc1cnn2c1nc(Cl)c(C(C)C)c2Cl ZINC000071476322 176187072 /nfs/dbraw/zinc/18/70/72/176187072.db2.gz XNSSVUDFSMJEAH-UHFFFAOYSA-N 0 0 258.152 3.722 10 0 CHAERN COc1c(Br)ccc2c(F)cccc21 ZINC000071477632 176187429 /nfs/dbraw/zinc/18/74/29/176187429.db2.gz YUMMPKXGQPSVRG-UHFFFAOYSA-N 0 0 255.086 3.750 10 0 CHAERN COc1cc(Cl)c(C(=O)C2CCC2)cc1Cl ZINC000071584947 176210128 /nfs/dbraw/zinc/21/01/28/176210128.db2.gz VFPWOCNBSYJNRX-UHFFFAOYSA-N 0 0 259.132 3.985 10 0 CHAERN Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1F ZINC000071587242 176214053 /nfs/dbraw/zinc/21/40/53/176214053.db2.gz YJPVJOLNRRLNEK-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN CCOc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000071600252 176226286 /nfs/dbraw/zinc/22/62/86/176226286.db2.gz GONFBGGRSMWHGI-UHFFFAOYSA-N 0 0 269.131 3.849 10 0 CHAERN CC(=O)c1csc(Cc2c(F)cccc2Cl)n1 ZINC000071600882 176227091 /nfs/dbraw/zinc/22/70/91/176227091.db2.gz QNJRCOLXTVTJIX-UHFFFAOYSA-N 0 0 269.728 3.729 10 0 CHAERN Cc1ccc(C)c(Nc2ncc(Br)cn2)c1 ZINC000071628966 176235946 /nfs/dbraw/zinc/23/59/46/176235946.db2.gz HZLXLANNNSEAPI-UHFFFAOYSA-N 0 0 278.153 3.600 10 0 CHAERN CNc1cc(-c2ccc3ccccc3n2)c2cc[nH]c2n1 ZINC000072121084 176319587 /nfs/dbraw/zinc/31/95/87/176319587.db2.gz WTXNUAYDWVVQJZ-UHFFFAOYSA-N 0 0 274.327 3.820 10 0 CHAERN CC(C)(C)c1cc(Br)cc(Br)n1 ZINC000072193438 176336689 /nfs/dbraw/zinc/33/66/89/176336689.db2.gz FPUPKXGTIIEZAH-UHFFFAOYSA-N 0 0 293.002 3.904 10 0 CHAERN Fc1cccc(-c2ccc(Br)cn2)c1 ZINC000072191839 176336118 /nfs/dbraw/zinc/33/61/18/176336118.db2.gz UADYZRWTABKTFD-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN Fc1cc(F)cc(-c2ccc(Br)cn2)c1 ZINC000072191854 176336204 /nfs/dbraw/zinc/33/62/04/176336204.db2.gz MOFVGJPCZNHVNL-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN Clc1cccc(-n2nccc2-c2nccs2)c1 ZINC000072190511 176336425 /nfs/dbraw/zinc/33/64/25/176336425.db2.gz MPUPQPQTCANECC-UHFFFAOYSA-N 0 0 261.737 3.649 10 0 CHAERN CC(C)c1cc(Br)c(Br)cn1 ZINC000072193322 176336534 /nfs/dbraw/zinc/33/65/34/176336534.db2.gz STUDQVRCLSUFDP-UHFFFAOYSA-N 0 0 278.975 3.730 10 0 CHAERN Fc1ccc(-c2scnc2Br)cc1F ZINC000072192336 176336735 /nfs/dbraw/zinc/33/67/35/176336735.db2.gz FMHVKJQDAONWBQ-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN Fc1ccccc1-c1cncc(Br)c1 ZINC000072192735 176336792 /nfs/dbraw/zinc/33/67/92/176336792.db2.gz UPMNVYHPZQRQDF-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN Clc1ccc(-c2nc(Br)cs2)nc1 ZINC000072204278 176341955 /nfs/dbraw/zinc/34/19/55/176341955.db2.gz UYQPMHKDQNAXPD-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN Cc1cccc(-c2csc(Br)n2)c1 ZINC000072204581 176342483 /nfs/dbraw/zinc/34/24/83/176342483.db2.gz WNGALIVVWSRMMV-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN CCCn1cc(-c2ccncc2)cc1C(=O)N1CCCCC1 ZINC000075509109 176723412 /nfs/dbraw/zinc/72/34/12/176723412.db2.gz NJQBKLOZAWNCCS-UHFFFAOYSA-N 0 0 297.402 3.586 10 0 CHAERN Cc1cc(N)c(NC(=O)c2ccc(F)c(F)c2F)cc1C ZINC000076859472 177124365 /nfs/dbraw/zinc/12/43/65/177124365.db2.gz IWUQIPKZIHUSDZ-UHFFFAOYSA-N 0 0 294.276 3.555 10 0 CHAERN Fc1cccc(COc2cncc(Br)c2)c1 ZINC000078766551 177384403 /nfs/dbraw/zinc/38/44/03/177384403.db2.gz QYUZFKSNGMMCBW-UHFFFAOYSA-N 0 0 282.112 3.562 10 0 CHAERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000334779533 225318005 /nfs/dbraw/zinc/31/80/05/225318005.db2.gz CAIITBJUDVATEV-ZWNOBZJWSA-N 0 0 264.756 3.665 10 0 CHAERN CC(C)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(C)C ZINC000171747884 335077339 /nfs/dbraw/zinc/07/73/39/335077339.db2.gz VJDZZWZEEJHSGP-KGLIPLIRSA-N 0 0 295.373 3.961 10 0 CHAERN CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000171747887 335077365 /nfs/dbraw/zinc/07/73/65/335077365.db2.gz VJDZZWZEEJHSGP-UONOGXRCSA-N 0 0 295.373 3.961 10 0 CHAERN Cc1ccc(C)c(CSCc2nnc(C(C)C)n2C)c1 ZINC000171753489 335077670 /nfs/dbraw/zinc/07/76/70/335077670.db2.gz OUKQPZOXJMNXQL-UHFFFAOYSA-N 0 0 289.448 3.989 10 0 CHAERN O=C1CC[C@H](c2nc(C(C3CCC3)C3CCC3)no2)CN1 ZINC000329022296 227262341 /nfs/dbraw/zinc/26/23/41/227262341.db2.gz TXKINAGJRDPKBA-LBPRGKRZSA-N 0 0 289.379 3.587 10 0 CHAERN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)c(C)c1 ZINC000037323109 260087781 /nfs/dbraw/zinc/08/77/81/260087781.db2.gz MLMPREPMEVPMCP-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN Cc1ccnc(N[C@H](c2ccccc2)[C@H]2C[C@@H]2C)n1 ZINC000301250318 227487665 /nfs/dbraw/zinc/48/76/65/227487665.db2.gz BEUYLVARVXVYEE-TUKIKUTGSA-N 0 0 253.349 3.594 10 0 CHAERN c1nc(NCC[C@H]2CCCO2)sc1-c1ccccc1 ZINC000301574936 227593282 /nfs/dbraw/zinc/59/32/82/227593282.db2.gz LYYYAZUCCIJGBK-CYBMUJFWSA-N 0 0 274.389 3.791 10 0 CHAERN CCc1nsc(N[C@H](C)c2csc(C(C)C)n2)n1 ZINC000301598857 227604794 /nfs/dbraw/zinc/60/47/94/227604794.db2.gz XYRBIMNZYIKJBK-MRVPVSSYSA-N 0 0 282.438 3.854 10 0 CHAERN C[C@@H]1C(=O)CC[C@H](c2nc(CC3CCC3)no2)C1(C)C ZINC000329626470 227693369 /nfs/dbraw/zinc/69/33/69/227693369.db2.gz VLUDGTSMWIHVPD-ZYHUDNBSSA-N 0 0 276.380 3.521 10 0 CHAERN O=C1CCc2cc(Oc3nc4cc(F)ccc4o3)ccc21 ZINC000302527878 227861244 /nfs/dbraw/zinc/86/12/44/227861244.db2.gz KOWBWPRHDNNYIK-UHFFFAOYSA-N 0 0 283.258 3.888 10 0 CHAERN C[C@H]1C[C@H](c2nc(CC3=CCCCC3)no2)CCC1=O ZINC000330219211 228069929 /nfs/dbraw/zinc/06/99/29/228069929.db2.gz PIIGMIHLYFCFQT-WCQYABFASA-N 0 0 274.364 3.585 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000336183747 228208458 /nfs/dbraw/zinc/20/84/58/228208458.db2.gz PDBJPHBUWZTEPV-MFKMUULPSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000336184057 228208459 /nfs/dbraw/zinc/20/84/59/228208459.db2.gz ZZXJEUCWRAUQNU-GWCFXTLKSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000336027349 228179306 /nfs/dbraw/zinc/17/93/06/228179306.db2.gz FXPROWYHTDDQMO-VXGBXAGGSA-N 0 0 293.798 3.697 10 0 CHAERN Cc1c(Nc2nc(C)nc(C)c2F)cnn1C1CCCC1 ZINC000333054885 228188926 /nfs/dbraw/zinc/18/89/26/228188926.db2.gz MACLVXPWYCZXOS-UHFFFAOYSA-N 0 0 289.358 3.596 10 0 CHAERN C[C@@H]1CC(=O)CC[C@@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000333062618 228189204 /nfs/dbraw/zinc/18/92/04/228189204.db2.gz FANRNUWROKDHAM-MFKMUULPSA-N 0 0 276.380 3.620 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)C[C@@H](C)C1 ZINC000333468769 228201529 /nfs/dbraw/zinc/20/15/29/228201529.db2.gz ANUWAUILYZBOCJ-GLBINXAQSA-N 0 0 288.391 3.692 10 0 CHAERN Cc1cc(Cc2noc(C3=CCC(C)(C)CC3)n2)nc(C)n1 ZINC000333842834 228216368 /nfs/dbraw/zinc/21/63/68/228216368.db2.gz NRWRVRBXDQRDJI-UHFFFAOYSA-N 0 0 298.390 3.661 10 0 CHAERN CCC[C@H](CC)NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000187871241 260063188 /nfs/dbraw/zinc/06/31/88/260063188.db2.gz KGJWRXUOBIFZNN-WFASDCNBSA-N 0 0 290.407 3.648 10 0 CHAERN Cc1ccc(N[C@@H]2CC(=O)N(C)c3ccccc32)cc1F ZINC000037213290 260074918 /nfs/dbraw/zinc/07/49/18/260074918.db2.gz AWLJSKJWWJYZEP-OAHLLOKOSA-N 0 0 284.334 3.654 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(CC(F)F)C2CC2)CC(C)(C)C1 ZINC000180279239 260098077 /nfs/dbraw/zinc/09/80/77/260098077.db2.gz CUVBYUNKLSGLJT-MNOVXSKESA-N 0 0 273.367 3.705 10 0 CHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(N)c1 ZINC000038101364 260126060 /nfs/dbraw/zinc/12/60/60/260126060.db2.gz PAXDLBCCAWXZPC-LLVKDONJSA-N 0 0 288.778 3.755 10 0 CHAERN CC(C)[C@H]1C[C@@H](Nc2cccc(-c3cnco3)c2)CCO1 ZINC000070358243 260156537 /nfs/dbraw/zinc/15/65/37/260156537.db2.gz YSASDJNAGGEUAA-JKSUJKDBSA-N 0 0 286.375 3.957 10 0 CHAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1cccc2ccccc21 ZINC000077208102 260167091 /nfs/dbraw/zinc/16/70/91/260167091.db2.gz QPHWIRPUMIBLFS-YOEHRIQHSA-N 0 0 298.386 3.512 10 0 CHAERN CCCn1ccc(CNc2ccccc2OCC)c1 ZINC000091009021 260264461 /nfs/dbraw/zinc/26/44/61/260264461.db2.gz HUMAVVBFCBZPFF-UHFFFAOYSA-N 0 0 258.365 3.909 10 0 CHAERN Cc1noc(C)c1CNc1nc2ccc(C)cc2s1 ZINC000092341140 260269116 /nfs/dbraw/zinc/26/91/16/260269116.db2.gz CNAYIUYNMZKKJQ-UHFFFAOYSA-N 0 0 273.361 3.822 10 0 CHAERN COC[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128972776 260380442 /nfs/dbraw/zinc/38/04/42/260380442.db2.gz LUQPBNAIWDRGRK-HUUCEWRRSA-N 0 0 277.408 3.549 10 0 CHAERN CC[C@@H](Nc1nccn2nc(C)cc12)c1cccs1 ZINC000129311883 260385326 /nfs/dbraw/zinc/38/53/26/260385326.db2.gz ZUAOJPIQCQHNLW-LLVKDONJSA-N 0 0 272.377 3.662 10 0 CHAERN CCOC(=O)c1cccc(OC(C)(C)C)c1Cl ZINC000095883721 260557858 /nfs/dbraw/zinc/55/78/58/260557858.db2.gz KRNRFEOGOZXBGG-UHFFFAOYSA-N 0 0 256.729 3.694 10 0 CHAERN CCn1nc(C)c([C@@H](C)NCc2ccc(F)cc2F)c1C ZINC000051017059 260794524 /nfs/dbraw/zinc/79/45/24/260794524.db2.gz VWQDUHNEBFWEKD-SNVBAGLBSA-N 0 0 293.361 3.649 10 0 CHAERN CC1(C)C[C@@H](NC(=O)Nc2cccnc2)c2ccccc2O1 ZINC000152090717 261059556 /nfs/dbraw/zinc/05/95/56/261059556.db2.gz QJKSXSXZTKRAHD-CQSZACIVSA-N 0 0 297.358 3.506 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C=C2CCC2)o1 ZINC000153073809 261072888 /nfs/dbraw/zinc/07/28/88/261072888.db2.gz HBGSTRDRTGJQDP-AWEZNQCLSA-N 0 0 259.349 3.752 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2CCCCO2)o1 ZINC000153072965 261073147 /nfs/dbraw/zinc/07/31/47/261073147.db2.gz AMBMBPJLSBXAPC-CABCVRRESA-N 0 0 291.391 3.601 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CO[C@H](C)CC)o1 ZINC000155198026 261099548 /nfs/dbraw/zinc/09/95/48/261099548.db2.gz UMAZOFVMZZZQRI-HIFRSBDPSA-N 0 0 293.407 3.711 10 0 CHAERN Fc1cccc(CN2C[C@H]3CCC[C@@H]32)c1Br ZINC000449036752 261117517 /nfs/dbraw/zinc/11/75/17/261117517.db2.gz VJQISOWFPYCNDK-SKDRFNHKSA-N 0 0 284.172 3.573 10 0 CHAERN CC(C)(NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000156289746 261119161 /nfs/dbraw/zinc/11/91/61/261119161.db2.gz OOEZGHITNAIAIU-OLZOCXBDSA-N 0 0 292.448 3.711 10 0 CHAERN CC(C)(NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000156289862 261119162 /nfs/dbraw/zinc/11/91/62/261119162.db2.gz OOEZGHITNAIAIU-QWHCGFSZSA-N 0 0 292.448 3.711 10 0 CHAERN O=C(CCCC1CCCCC1)N1CCC[C@H]1CCCO ZINC000052759902 261128666 /nfs/dbraw/zinc/12/86/66/261128666.db2.gz WEEUSPFOLNVIHR-INIZCTEOSA-N 0 0 281.440 3.501 10 0 CHAERN CCc1csc([C@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000157322862 261144399 /nfs/dbraw/zinc/14/43/99/261144399.db2.gz YKGQUULRAYFRAU-ZDUSSCGKSA-N 0 0 287.432 3.793 10 0 CHAERN O=C(CC1CCCCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000175607613 261236953 /nfs/dbraw/zinc/23/69/53/261236953.db2.gz LJMYQOQSRSTDRE-HZPDHXFCSA-N 0 0 279.424 3.517 10 0 CHAERN Cc1ccc(F)c(C(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000053006782 261246980 /nfs/dbraw/zinc/24/69/80/261246980.db2.gz WPRIZMGSWBBNQA-KRWDZBQOSA-N 0 0 283.346 3.942 10 0 CHAERN CC(C)[C@H](CC(=O)NCc1cscn1)c1ccccc1 ZINC000103004619 261273333 /nfs/dbraw/zinc/27/33/33/261273333.db2.gz AHMOEVHBILQMGU-HNNXBMFYSA-N 0 0 288.416 3.589 10 0 CHAERN C[C@@H](N(C)C(=O)N[C@H]1CCCc2ccccc21)C1(C)CC1 ZINC000176339551 261280320 /nfs/dbraw/zinc/28/03/20/261280320.db2.gz MABPXHZSNQFRPI-CJNGLKHVSA-N 0 0 286.419 3.894 10 0 CHAERN CC(C)COC1CCN(C(=O)CCCC(C)(C)C)CC1 ZINC000103383747 261280533 /nfs/dbraw/zinc/28/05/33/261280533.db2.gz MWWMNPKBWQJESG-UHFFFAOYSA-N 0 0 283.456 3.866 10 0 CHAERN COC[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104463386 261295198 /nfs/dbraw/zinc/29/51/98/261295198.db2.gz KEYOGNZHCGADLZ-NHYWBVRUSA-N 0 0 295.810 3.580 10 0 CHAERN Cc1ccc(/C=C/CC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000176591274 261297979 /nfs/dbraw/zinc/29/79/79/261297979.db2.gz SFRBVIMIDIVTFV-BDUNBXCCSA-N 0 0 293.366 3.648 10 0 CHAERN CC(C)N(Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000105608357 261312467 /nfs/dbraw/zinc/31/24/67/261312467.db2.gz SOQNYUKGVORDKZ-UHFFFAOYSA-N 0 0 283.331 3.745 10 0 CHAERN CCc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606278 261313289 /nfs/dbraw/zinc/31/32/89/261313289.db2.gz UMGLBFKAYJFVRT-UHFFFAOYSA-N 0 0 269.304 3.504 10 0 CHAERN Cc1cc(Cl)ccc1NCc1nc(-c2ccoc2)no1 ZINC000105606305 261313397 /nfs/dbraw/zinc/31/33/97/261313397.db2.gz RIKVROBJNIJWMS-UHFFFAOYSA-N 0 0 289.722 3.904 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccccc2)o1 ZINC000163730061 261327133 /nfs/dbraw/zinc/32/71/33/261327133.db2.gz JOPJPLIXPVNSBY-STQMWFEESA-N 0 0 257.333 3.569 10 0 CHAERN C[C@@H](Nc1nnc(C2CC2)s1)c1cccs1 ZINC000301733325 261340102 /nfs/dbraw/zinc/34/01/02/261340102.db2.gz QEPXLADZZVOADI-SSDOTTSWSA-N 0 0 251.380 3.650 10 0 CHAERN Cc1cnc(N[C@@H](C)c2cccc(Cl)c2)nc1C ZINC000301880563 261343653 /nfs/dbraw/zinc/34/36/53/261343653.db2.gz LUCPJHOFANKONQ-NSHDSACASA-N 0 0 261.756 3.920 10 0 CHAERN CCn1ccnc1C[S@](=O)[C@H](C)c1ccc(Cl)cc1 ZINC000177294687 261345162 /nfs/dbraw/zinc/34/51/62/261345162.db2.gz FFFXTXLCFAWVTI-WYRIXSBYSA-N 0 0 296.823 3.566 10 0 CHAERN CC[C@@H](N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000164624563 261355997 /nfs/dbraw/zinc/35/59/97/261355997.db2.gz HKUPWYPCJMLEBS-KGLIPLIRSA-N 0 0 290.798 3.507 10 0 CHAERN COc1ccc(N[C@@H](C)c2cncs2)cc1Cl ZINC000164973332 261362182 /nfs/dbraw/zinc/36/21/82/261362182.db2.gz VPBRFOICNMXJIE-QMMMGPOBSA-N 0 0 268.769 3.978 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCCO2)cc1 ZINC000178393272 261388959 /nfs/dbraw/zinc/38/89/59/261388959.db2.gz UVZVTQPPZJHGFX-CJNGLKHVSA-N 0 0 275.392 3.556 10 0 CHAERN CS[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000172511984 261502665 /nfs/dbraw/zinc/50/26/65/261502665.db2.gz JFUHNIGETLMENU-SWLSCSKDSA-N 0 0 289.400 3.870 10 0 CHAERN Cc1ncc(CN(C)C(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000172780759 261511328 /nfs/dbraw/zinc/51/13/28/261511328.db2.gz CGURQJJZPGQNPU-CABCVRRESA-N 0 0 292.448 3.626 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccnc2)o1 ZINC000173647544 261540967 /nfs/dbraw/zinc/54/09/67/261540967.db2.gz WDOVMWGZBGCETJ-CQSZACIVSA-N 0 0 285.347 3.742 10 0 CHAERN CCSCc1noc(-c2cc3ccccc3cc2O)n1 ZINC000087106798 261753343 /nfs/dbraw/zinc/75/33/43/261753343.db2.gz UUXZJULSOIIDPW-UHFFFAOYSA-N 0 0 286.356 3.849 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccccc2)cs1 ZINC000186736551 262108144 /nfs/dbraw/zinc/10/81/44/262108144.db2.gz NVZOXJQWESDLGO-AWEZNQCLSA-N 0 0 287.388 3.821 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187022456 262335336 /nfs/dbraw/zinc/33/53/36/262335336.db2.gz CDBFFQLITSQTST-SNVBAGLBSA-N 0 0 270.323 3.964 10 0 CHAERN CCCC[C@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270153 262342423 /nfs/dbraw/zinc/34/24/23/262342423.db2.gz QFCNPLGUIQEJBO-ZZTKBFGJSA-N 0 0 289.423 3.727 10 0 CHAERN CC(C)C[C@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270095 262342506 /nfs/dbraw/zinc/34/25/06/262342506.db2.gz IMGUAFHCPNCEQZ-ZZTKBFGJSA-N 0 0 289.423 3.583 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(Cl)s1 ZINC000093076642 262365965 /nfs/dbraw/zinc/36/59/65/262365965.db2.gz FATHLARDPODPAF-FXBDTBDDSA-N 0 0 269.797 3.625 10 0 CHAERN Cc1sc2ncnc(N[C@H]3COc4ccccc43)c2c1C ZINC000058545229 262385505 /nfs/dbraw/zinc/38/55/05/262385505.db2.gz RMUPQKKKIJXULD-LBPRGKRZSA-N 0 0 297.383 3.854 10 0 CHAERN Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000062655287 262414030 /nfs/dbraw/zinc/41/40/30/262414030.db2.gz AUZPTHLHLPQEHE-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN CSCCCCCNc1nccnc1C(C)C ZINC000413240267 262756711 /nfs/dbraw/zinc/75/67/11/262756711.db2.gz WYRZHDQPRXRRIT-UHFFFAOYSA-N 0 0 253.415 3.545 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H](C)c1cncs1 ZINC000165518247 264386731 /nfs/dbraw/zinc/38/67/31/264386731.db2.gz PSSLAQXPOXNIGA-QMMMGPOBSA-N 0 0 268.769 3.978 10 0 CHAERN C[C@H](Nc1ccc(SC(F)F)cc1)c1cn[nH]c1 ZINC000285327818 264553392 /nfs/dbraw/zinc/55/33/92/264553392.db2.gz UCSBVOOHSCGPTE-QMMMGPOBSA-N 0 0 269.320 3.898 10 0 CHAERN CC(C)c1cnc(NC(=O)N[C@@H](C)CC2CC2)s1 ZINC000192389510 264566257 /nfs/dbraw/zinc/56/62/57/264566257.db2.gz RQJOASPETAYYOU-VIFPVBQESA-N 0 0 267.398 3.577 10 0 CHAERN C[C@@H](O)[C@H](C)Oc1ccc2ccccc2c1Br ZINC000094654913 265249064 /nfs/dbraw/zinc/24/90/64/265249064.db2.gz BHBWSPVKWHFMJF-ZJUUUORDSA-N 0 0 295.176 3.750 10 0 CHAERN COc1ccc(F)c(N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000094854529 265261822 /nfs/dbraw/zinc/26/18/22/265261822.db2.gz CSFJMOXATBACBJ-CYBMUJFWSA-N 0 0 267.344 3.592 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C2(c3cccc(F)c3)CC2)o1 ZINC000115332703 267095301 /nfs/dbraw/zinc/09/53/01/267095301.db2.gz PPALIPWYQRWRQN-GFCCVEGCSA-N 0 0 287.334 3.636 10 0 CHAERN O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000116049337 267120960 /nfs/dbraw/zinc/12/09/60/267120960.db2.gz VFSLIWHKPOZEFW-CYBMUJFWSA-N 0 0 275.735 3.910 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccco1 ZINC000116048023 267121266 /nfs/dbraw/zinc/12/12/66/267121266.db2.gz ADSWWEFNDUREBY-OAHLLOKOSA-N 0 0 280.327 3.738 10 0 CHAERN O=C([C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116045547 267121297 /nfs/dbraw/zinc/12/12/97/267121297.db2.gz USKBJVVKTBRKCE-LSDHHAIUSA-N 0 0 297.354 3.509 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116413385 267152146 /nfs/dbraw/zinc/15/21/46/267152146.db2.gz CCYAUHQELDTCJK-HIFRSBDPSA-N 0 0 284.359 3.887 10 0 CHAERN CCCCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116415255 267152193 /nfs/dbraw/zinc/15/21/93/267152193.db2.gz PHECUGXJOSAUBK-ZDUSSCGKSA-N 0 0 264.369 3.706 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000117252453 267207826 /nfs/dbraw/zinc/20/78/26/267207826.db2.gz UUFCQDHBOLHDMR-HOCLYGCPSA-N 0 0 291.439 3.690 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2CCOc3ccccc32)o1 ZINC000117755708 267221782 /nfs/dbraw/zinc/22/17/82/267221782.db2.gz AAFBHKQMQFLZPM-UONOGXRCSA-N 0 0 299.370 3.722 10 0 CHAERN CSCCCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000119282249 267314303 /nfs/dbraw/zinc/31/43/03/267314303.db2.gz WYRPCPIKLCZPIY-SECBINFHSA-N 0 0 289.803 3.800 10 0 CHAERN Cc1cc(C(=O)N2C[C@H]3CCCCC[C@@H]32)ccc1F ZINC000370716982 267340934 /nfs/dbraw/zinc/34/09/34/267340934.db2.gz QBUPFHCPOADHIT-HIFRSBDPSA-N 0 0 261.340 3.539 10 0 CHAERN Cc1cc(C(=O)N2C[C@@H]3CCCCC[C@H]32)ccc1F ZINC000370716981 267341180 /nfs/dbraw/zinc/34/11/80/267341180.db2.gz QBUPFHCPOADHIT-DZGCQCFKSA-N 0 0 261.340 3.539 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1C[C@H]2CCCCC[C@H]21 ZINC000377240718 268059255 /nfs/dbraw/zinc/05/92/55/268059255.db2.gz PBSVWJQMPNTVOH-MWLCHTKSSA-N 0 0 299.201 3.793 10 0 CHAERN CC/C=C(\C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178240379 327793307 /nfs/dbraw/zinc/79/33/07/327793307.db2.gz FQZZRJJJGDMJQD-HJTPGIPUSA-N 0 0 285.309 3.633 10 0 CHAERN Cc1cc2ccccc2nc1NCCc1ccc(O)cc1 ZINC000063105912 327944174 /nfs/dbraw/zinc/94/41/74/327944174.db2.gz MUGLICSFDQECOD-UHFFFAOYSA-N 0 0 278.355 3.903 10 0 CHAERN Cc1ccc(C(C)(C)C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000171166116 328003609 /nfs/dbraw/zinc/00/36/09/328003609.db2.gz WHBGLFRUNHVXIV-MRXNPFEDSA-N 0 0 295.382 3.523 10 0 CHAERN C[C@@H](NC(=O)N1CCCC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000112739388 328447595 /nfs/dbraw/zinc/44/75/95/328447595.db2.gz FVAYPEFMPBJBLX-LLVKDONJSA-N 0 0 296.361 3.857 10 0 CHAERN CCC(C)(CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000112827001 328449116 /nfs/dbraw/zinc/44/91/16/328449116.db2.gz MADMFXUBCISCPR-VXGBXAGGSA-N 0 0 281.346 3.763 10 0 CHAERN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191609399 328513082 /nfs/dbraw/zinc/51/30/82/328513082.db2.gz HMYWHOUPABKAJV-YWPYICTPSA-N 0 0 290.407 3.503 10 0 CHAERN O=C(/C=C\c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000255424231 326971850 /nfs/dbraw/zinc/97/18/50/326971850.db2.gz NWTJHWJNTWLPNO-CDNLZTBQSA-N 0 0 285.318 3.796 10 0 CHAERN CCc1cc(N[C@H]2CCCc3ccccc32)nc(C)n1 ZINC000088058239 327011238 /nfs/dbraw/zinc/01/12/38/327011238.db2.gz HGZWHZLMEPLFCM-INIZCTEOSA-N 0 0 267.376 3.837 10 0 CHAERN COC[C@H](C)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000152678803 327148257 /nfs/dbraw/zinc/14/82/57/327148257.db2.gz MXIZZEGATSBZJD-LBPRGKRZSA-N 0 0 295.810 3.508 10 0 CHAERN CCc1cnccc1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000089396746 327169605 /nfs/dbraw/zinc/16/96/05/327169605.db2.gz HDTOWHWJOYVMDC-VIFPVBQESA-N 0 0 294.807 3.850 10 0 CHAERN CC(C)CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000150878397 327394377 /nfs/dbraw/zinc/39/43/77/327394377.db2.gz RPDFCWOBWBMWHW-CZUORRHYSA-N 0 0 291.391 3.618 10 0 CHAERN C[C@H](c1ccnn1C)c1nc(C2CCC(C)(C)CC2)no1 ZINC000333818484 328747659 /nfs/dbraw/zinc/74/76/59/328747659.db2.gz HBKZNAXNFQQDII-LLVKDONJSA-N 0 0 288.395 3.639 10 0 CHAERN CCCn1nccc1NC(=O)C[C@H](CC)c1ccccc1 ZINC000103378875 328769418 /nfs/dbraw/zinc/76/94/18/328769418.db2.gz XSAZESCKSORAIO-AWEZNQCLSA-N 0 0 285.391 3.816 10 0 CHAERN COC[C@@H](C)C(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000103388049 328769808 /nfs/dbraw/zinc/76/98/08/328769808.db2.gz XTXGQIRKPQPSQA-CQSZACIVSA-N 0 0 299.370 3.724 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]1c1ccco1 ZINC000116040650 328933814 /nfs/dbraw/zinc/93/38/14/328933814.db2.gz AHECMEPMYZWYHR-HNNXBMFYSA-N 0 0 280.327 3.738 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c(C)n1 ZINC000117719372 328942835 /nfs/dbraw/zinc/94/28/35/328942835.db2.gz QVFDRNVVMMZCBJ-UHFFFAOYSA-N 0 0 298.411 3.689 10 0 CHAERN O=C(CC1CCCC1)N1CC=C(c2cccs2)CC1 ZINC000117723971 328942878 /nfs/dbraw/zinc/94/28/78/328942878.db2.gz NDVWUFTWBZVOJL-UHFFFAOYSA-N 0 0 275.417 3.944 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000193853098 329062153 /nfs/dbraw/zinc/06/21/53/329062153.db2.gz OGDZHTNTGCJDRZ-GRDNDAEWSA-N 0 0 289.419 3.660 10 0 CHAERN Cc1nc([C@H](C)NC(=O)c2c(F)cccc2Cl)cs1 ZINC000170497122 329068636 /nfs/dbraw/zinc/06/86/36/329068636.db2.gz CQUFBRROGNPWML-ZETCQYMHSA-N 0 0 298.770 3.735 10 0 CHAERN O=C(Nc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000170891282 329069506 /nfs/dbraw/zinc/06/95/06/329069506.db2.gz KNDODMZIQZIYOQ-LBPRGKRZSA-N 0 0 287.388 3.555 10 0 CHAERN C[C@H](CC1CCCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172090579 329080994 /nfs/dbraw/zinc/08/09/94/329080994.db2.gz OTNPTKWCIHAWNH-CZUORRHYSA-N 0 0 287.403 3.843 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)C2CCCC2)o1 ZINC000172182128 329082103 /nfs/dbraw/zinc/08/21/03/329082103.db2.gz NFAOKVNUCPTDFK-NEPJUHHUSA-N 0 0 264.369 3.527 10 0 CHAERN CC(C)c1nccc(N[C@H](C)COCc2ccccc2)n1 ZINC000172780504 329138664 /nfs/dbraw/zinc/13/86/64/329138664.db2.gz XXNSYSGPPMYARU-CQSZACIVSA-N 0 0 285.391 3.617 10 0 CHAERN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccncc1 ZINC000172987981 329141766 /nfs/dbraw/zinc/14/17/66/329141766.db2.gz NDARXRVZBNSLGU-OLZOCXBDSA-N 0 0 294.358 3.543 10 0 CHAERN C[C@H](C(=O)N1CCC[C@@H]1c1ccco1)c1cccc(F)c1 ZINC000173047856 329142647 /nfs/dbraw/zinc/14/26/47/329142647.db2.gz XMEOIFUKPNOFOU-SWLSCSKDSA-N 0 0 287.334 3.886 10 0 CHAERN O[C@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1cccc(Cl)c1 ZINC000173759167 329148152 /nfs/dbraw/zinc/14/81/52/329148152.db2.gz LFYVUWAPQXJHJD-HUUCEWRRSA-N 0 0 291.778 3.804 10 0 CHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000173520197 329148501 /nfs/dbraw/zinc/14/85/01/329148501.db2.gz UPEMJDYSVWCYSB-ZBFHGGJFSA-N 0 0 291.439 3.690 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175603202 329170412 /nfs/dbraw/zinc/17/04/12/329170412.db2.gz WASVWDQVUMJUFT-HNNXBMFYSA-N 0 0 295.467 3.866 10 0 CHAERN C[C@@H](NC(=O)N1CCCC[C@@H]1c1nccs1)C(C)(C)C ZINC000176356263 329174666 /nfs/dbraw/zinc/17/46/66/329174666.db2.gz DZFDHENAGBEBHF-VXGBXAGGSA-N 0 0 295.452 3.814 10 0 CHAERN CC(C)CC(C)(C)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177645407 329188495 /nfs/dbraw/zinc/18/84/95/329188495.db2.gz SOTULVORMMJQHS-ZDUSSCGKSA-N 0 0 294.464 3.921 10 0 CHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccncc1Cl ZINC000178279045 329195412 /nfs/dbraw/zinc/19/54/12/329195412.db2.gz SWBZASZDQRNSIJ-UHFFFAOYSA-N 0 0 298.777 3.762 10 0 CHAERN COCCC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178612444 329201387 /nfs/dbraw/zinc/20/13/87/329201387.db2.gz VCRICXUQRSJHMC-YJBOKZPZSA-N 0 0 284.403 3.576 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(Br)cc2)o1 ZINC000220936955 329204083 /nfs/dbraw/zinc/20/40/83/329204083.db2.gz VUADEAFXVUIYDC-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN CSCCCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180219218 329218484 /nfs/dbraw/zinc/21/84/84/329218484.db2.gz JUNQIVMJABEKLC-OLZOCXBDSA-N 0 0 271.470 3.708 10 0 CHAERN CC(=O)c1ccc(N[C@H]2CCCc3cc(F)ccc32)nc1 ZINC000181245862 329227361 /nfs/dbraw/zinc/22/73/61/329227361.db2.gz AQWNRHGJMZUUGW-INIZCTEOSA-N 0 0 284.334 3.913 10 0 CHAERN CC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)nc1 ZINC000181272104 329228927 /nfs/dbraw/zinc/22/89/27/329228927.db2.gz BIGCBLQAITYLLA-FZMZJTMJSA-N 0 0 288.391 3.685 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1nccs1)[C@@H](C)C2 ZINC000181332265 329231985 /nfs/dbraw/zinc/23/19/85/329231985.db2.gz DNIWIEHMXQGQEU-GXFFZTMASA-N 0 0 287.388 3.507 10 0 CHAERN Cc1cccc(-c2noc(CN[C@H](C)c3cccs3)n2)c1 ZINC000182548252 329242876 /nfs/dbraw/zinc/24/28/76/329242876.db2.gz BRZYYEKUWJUYCC-GFCCVEGCSA-N 0 0 299.399 3.957 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@H](C)c2nccs2)n1 ZINC000183440061 329247677 /nfs/dbraw/zinc/24/76/77/329247677.db2.gz KKUAUVSXXMAENI-GFCCVEGCSA-N 0 0 284.388 3.810 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2COc3cc(C)c(C)cc32)o1 ZINC000183934625 329254667 /nfs/dbraw/zinc/25/46/67/329254667.db2.gz ZECBDYKRCYQYFG-DZGCQCFKSA-N 0 0 299.370 3.558 10 0 CHAERN Cc1c(Br)scc1C(=O)N[C@H](C)C(C)C ZINC000184890206 329263839 /nfs/dbraw/zinc/26/38/39/329263839.db2.gz VGNNUSPFYUBXMT-MRVPVSSYSA-N 0 0 290.226 3.593 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000185810745 329329601 /nfs/dbraw/zinc/32/96/01/329329601.db2.gz PMBHHRALQZKZJE-ZYICGEMBSA-N 0 0 287.403 3.660 10 0 CHAERN CC(C)CCn1cccc1CNc1nnc(C(C)(C)C)o1 ZINC000185894558 329334779 /nfs/dbraw/zinc/33/47/79/329334779.db2.gz YQINBJKDJXBEJJ-UHFFFAOYSA-N 0 0 290.411 3.827 10 0 CHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccoc1 ZINC000186060595 329336923 /nfs/dbraw/zinc/33/69/23/329336923.db2.gz VQNGZPQWDSTOAH-ZDUSSCGKSA-N 0 0 279.343 3.587 10 0 CHAERN CN1Cc2cc(N[C@H]3CCc4ccccc43)ccc2NC1=O ZINC000186553151 329345464 /nfs/dbraw/zinc/34/54/64/329345464.db2.gz NZLKWGBNQVIFOE-KRWDZBQOSA-N 0 0 293.370 3.763 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)C(C)C)cs1 ZINC000187101786 329353396 /nfs/dbraw/zinc/35/33/96/329353396.db2.gz BAZQOUDDVYOQNG-RISCZKNCSA-N 0 0 295.452 3.590 10 0 CHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccsc1Cl ZINC000187822044 329360905 /nfs/dbraw/zinc/36/09/05/329360905.db2.gz FUKUUISUOOLBNJ-UFBFGSQYSA-N 0 0 293.775 3.905 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000187850999 329361084 /nfs/dbraw/zinc/36/10/84/329361084.db2.gz XWOUUOXVAMIBLD-OFQRWUPVSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(F)cc2Cl)o1 ZINC000230646698 329367814 /nfs/dbraw/zinc/36/78/14/329367814.db2.gz UOADDVUPACPCKA-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN CCCCC[C@H](C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)C(C)C ZINC000188771192 329373092 /nfs/dbraw/zinc/37/30/92/329373092.db2.gz FUDYPRRLXHIHDK-ZJIFWQFVSA-N 0 0 281.440 3.523 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1CNc1nc2ccccc2o1 ZINC000189403714 329381824 /nfs/dbraw/zinc/38/18/24/329381824.db2.gz ONUGDPSBXGHDCZ-RISCZKNCSA-N 0 0 274.364 3.691 10 0 CHAERN CC[C@]1(C)C[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831257 329389458 /nfs/dbraw/zinc/38/94/58/329389458.db2.gz LRLJRZAHELGUSO-CRAIPNDOSA-N 0 0 299.414 3.518 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000190853115 329401580 /nfs/dbraw/zinc/40/15/80/329401580.db2.gz STISVZLSHDUYRK-CVEARBPZSA-N 0 0 293.451 3.765 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192652147 329433878 /nfs/dbraw/zinc/43/38/78/329433878.db2.gz HNQUKMFKNZUNFY-OAHLLOKOSA-N 0 0 280.371 3.757 10 0 CHAERN Cc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1O ZINC000117722374 329546283 /nfs/dbraw/zinc/54/62/83/329546283.db2.gz IJRGCUYLYUOSLV-UHFFFAOYSA-N 0 0 299.395 3.692 10 0 CHAERN C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(Cl)s1 ZINC000042593618 329573997 /nfs/dbraw/zinc/57/39/97/329573997.db2.gz XVLSRMLKYMGALL-MRVPVSSYSA-N 0 0 281.764 3.598 10 0 CHAERN COc1ccc2oc(CN[C@@H]3COc4ccccc43)cc2c1 ZINC000125026754 329576492 /nfs/dbraw/zinc/57/64/92/329576492.db2.gz BFIIIXUCBMHSGE-MRXNPFEDSA-N 0 0 295.338 3.665 10 0 CHAERN Cc1ccoc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125077139 329577154 /nfs/dbraw/zinc/57/71/54/329577154.db2.gz NCYVQALFNYGVCS-NHYWBVRUSA-N 0 0 269.344 3.956 10 0 CHAERN C[C@@H](NC(=O)Nc1ccccc1N(C)C)c1cccs1 ZINC000044082034 329589149 /nfs/dbraw/zinc/58/91/49/329589149.db2.gz FYZGYICTCIAJLS-LLVKDONJSA-N 0 0 289.404 3.697 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)O1 ZINC000128395527 329607661 /nfs/dbraw/zinc/60/76/61/329607661.db2.gz RGSATCLYEUZJLR-WBMJQRKESA-N 0 0 289.375 3.514 10 0 CHAERN Cc1ccc([C@H]2CN(C(=O)C(C)(C)CC(C)C)CCO2)o1 ZINC000133987149 329656493 /nfs/dbraw/zinc/65/64/93/329656493.db2.gz LGDZXNPTGLYTTM-OAHLLOKOSA-N 0 0 293.407 3.560 10 0 CHAERN CCc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)oc1CC ZINC000134454390 329659148 /nfs/dbraw/zinc/65/91/48/329659148.db2.gz NEVQHNIGVWZCBN-NSHDSACASA-N 0 0 275.348 3.797 10 0 CHAERN CCC(CC)C(=O)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062078732 329681700 /nfs/dbraw/zinc/68/17/00/329681700.db2.gz KGTFPJSLZIWYEY-OAHLLOKOSA-N 0 0 289.419 3.740 10 0 CHAERN c1ncc(-c2cccc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)c2)o1 ZINC000194158511 329685410 /nfs/dbraw/zinc/68/54/10/329685410.db2.gz CGOPKTLFSBRCGT-DJIMGWMZSA-N 0 0 296.370 3.711 10 0 CHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194703152 329688251 /nfs/dbraw/zinc/68/82/51/329688251.db2.gz YVPDKUNFYRCVSN-CZUORRHYSA-N 0 0 296.370 3.523 10 0 CHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1C[C@H](C)c2c1cccc2C ZINC000246268619 329810857 /nfs/dbraw/zinc/81/08/57/329810857.db2.gz AICWNLBDXINDAF-VBNZEHGJSA-N 0 0 296.418 3.568 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCO[C@@H]2C)c2ccccc21 ZINC000249556288 329907788 /nfs/dbraw/zinc/90/77/88/329907788.db2.gz MHGUKLFYFZIZJI-LGWLGOQQSA-N 0 0 287.403 3.556 10 0 CHAERN CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263014004 330038716 /nfs/dbraw/zinc/03/87/16/330038716.db2.gz CPYOIOFHCUGSHT-JSGCOSHPSA-N 0 0 297.826 3.608 10 0 CHAERN CSc1ccc([C@@H](C)[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000263437122 330055706 /nfs/dbraw/zinc/05/57/06/330055706.db2.gz UZHUVXOGHYHQPO-ZWNOBZJWSA-N 0 0 297.395 3.548 10 0 CHAERN Cc1noc(C)c1CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162663083 330104058 /nfs/dbraw/zinc/10/40/58/330104058.db2.gz GMLIZKRLRMPHGR-DIFFPNOSSA-N 0 0 298.386 3.589 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162674740 330107268 /nfs/dbraw/zinc/10/72/68/330107268.db2.gz XDEIYMIKAKLQGC-XEZPLFJOSA-N 0 0 275.392 3.556 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCN2 ZINC000036895786 330310926 /nfs/dbraw/zinc/31/09/26/330310926.db2.gz GLPDBWPVBCECDP-UHFFFAOYSA-N 0 0 286.762 3.869 10 0 CHAERN CCC(C)(C)NC(=O)COc1cc(C(C)C)ccc1C ZINC000105577123 330327288 /nfs/dbraw/zinc/32/72/88/330327288.db2.gz CDUPVLBPPAGLAR-UHFFFAOYSA-N 0 0 277.408 3.802 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc3ccccc3cc2O)o1 ZINC000105581390 330327461 /nfs/dbraw/zinc/32/74/61/330327461.db2.gz JSBRBOWSKINAFZ-LBPRGKRZSA-N 0 0 295.338 3.938 10 0 CHAERN Cc1nsc(N[C@H](C)c2cccc(Br)c2)n1 ZINC000083648129 330358717 /nfs/dbraw/zinc/35/87/17/330358717.db2.gz JREPWSKGLSSRMS-SSDOTTSWSA-N 0 0 298.209 3.782 10 0 CHAERN C[C@H](NC(=O)N1[C@@H](C)CC[C@@H]1C)c1cccc(Cl)c1 ZINC000119127579 330371151 /nfs/dbraw/zinc/37/11/51/330371151.db2.gz DTVGOYJVPQWIHT-SRVKXCTJSA-N 0 0 280.799 3.983 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000088726479 330378556 /nfs/dbraw/zinc/37/85/56/330378556.db2.gz VCUIGYYARJVJRZ-UWVGGRQHSA-N 0 0 256.802 3.821 10 0 CHAERN CCc1cnc([C@H](C)Nc2ncccc2Cl)s1 ZINC000088727958 330378559 /nfs/dbraw/zinc/37/85/59/330378559.db2.gz QRKHWYPXIULISU-QMMMGPOBSA-N 0 0 267.785 3.927 10 0 CHAERN CC1CCC2(C[C@H](N(C)C(=O)OC(C)(C)C)CO2)CC1 ZINC000536954314 330382898 /nfs/dbraw/zinc/38/28/98/330382898.db2.gz KKIGDARVCNWSQH-UYJPIKCFSA-N 0 0 283.412 3.591 10 0 CHAERN CCS(=O)(CC)=Nc1ccc(C(F)(F)F)cc1 ZINC000536956702 330383287 /nfs/dbraw/zinc/38/32/87/330383287.db2.gz ADNLPBZOXGJKPR-UHFFFAOYSA-N 0 0 265.300 3.845 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000121032030 330395221 /nfs/dbraw/zinc/39/52/21/330395221.db2.gz LWPBBECHFAUTTG-GHMZBOCLSA-N 0 0 294.361 3.985 10 0 CHAERN CCc1nnc(CSCCCc2ccccc2C)n1C ZINC000091036522 330397880 /nfs/dbraw/zinc/39/78/80/330397880.db2.gz YVQRLKYKKPMNGM-UHFFFAOYSA-N 0 0 289.448 3.552 10 0 CHAERN Cc1csc(CN[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000152991694 330638377 /nfs/dbraw/zinc/63/83/77/330638377.db2.gz VKLXJRJXVATHNN-ZDUSSCGKSA-N 0 0 288.416 3.844 10 0 CHAERN CCCC[C@H](CC)CNC(=O)c1cccc2c1CCCN2 ZINC000165738870 331306333 /nfs/dbraw/zinc/30/63/33/331306333.db2.gz VGZAYLVFLZFBRG-AWEZNQCLSA-N 0 0 288.435 3.991 10 0 CHAERN CC(C)c1nccnc1N[C@H]1CCCc2ccccc21 ZINC000472028505 331526136 /nfs/dbraw/zinc/52/61/36/331526136.db2.gz VOSQKPFQAZIXFZ-HNNXBMFYSA-N 0 0 267.376 3.511 10 0 CHAERN Cc1ccccc1CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172100595 335094672 /nfs/dbraw/zinc/09/46/72/335094672.db2.gz NSSUGBUZMLQKJB-MRXNPFEDSA-N 0 0 298.386 3.677 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000172228295 335098221 /nfs/dbraw/zinc/09/82/21/335098221.db2.gz UXAHSCSWRDHDPX-GFCCVEGCSA-N 0 0 276.380 3.641 10 0 CHAERN CC(C)(C)[C@H](O)CSc1ccc2c(c1)CCC2 ZINC000304618841 332973161 /nfs/dbraw/zinc/97/31/61/332973161.db2.gz RFHGFMUDJMCHIG-CQSZACIVSA-N 0 0 250.407 3.674 10 0 CHAERN C[C@H](NC(=O)CCC1CCC1)c1cccc(-n2ccnc2)c1 ZINC000176964596 333051191 /nfs/dbraw/zinc/05/11/91/333051191.db2.gz YVTLCNKLRJOIOW-AWEZNQCLSA-N 0 0 297.402 3.630 10 0 CHAERN COCC(C)(C)CNc1nc2ccc(C)cc2s1 ZINC000311116218 333064999 /nfs/dbraw/zinc/06/49/99/333064999.db2.gz WLSLGJXQGBXPTI-UHFFFAOYSA-N 0 0 264.394 3.689 10 0 CHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1C)c1cccc(Cl)c1 ZINC000178445385 333073119 /nfs/dbraw/zinc/07/31/19/333073119.db2.gz CLKVCWBGPSVLFT-GRYCIOLGSA-N 0 0 280.799 3.841 10 0 CHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000178497072 333073875 /nfs/dbraw/zinc/07/38/75/333073875.db2.gz ZRDMTBWRZOBTLJ-WISYIIOYSA-N 0 0 292.345 3.547 10 0 CHAERN C[C@@H](O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000087138608 333081404 /nfs/dbraw/zinc/08/14/04/333081404.db2.gz UDFSEPHPIUUKDA-PHDIDXHHSA-N 0 0 269.555 3.795 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000183257045 333119915 /nfs/dbraw/zinc/11/99/15/333119915.db2.gz WLRPWYBOMIDTHD-DZGCQCFKSA-N 0 0 289.419 3.813 10 0 CHAERN CCCCn1cc(C(=O)N[C@@H](C)c2ccccc2C)c(C)n1 ZINC000184751564 333132020 /nfs/dbraw/zinc/13/20/20/333132020.db2.gz XQJGURJJTIEZDW-AWEZNQCLSA-N 0 0 299.418 3.791 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(C)C)cc1F ZINC000185678041 333146381 /nfs/dbraw/zinc/14/63/81/333146381.db2.gz YZFJYDIZTNTYHB-YUTCNCBUSA-N 0 0 263.356 3.603 10 0 CHAERN O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000219823150 333157722 /nfs/dbraw/zinc/15/77/22/333157722.db2.gz VZBRBOIAYCNREY-XJKSGUPXSA-N 0 0 297.801 3.606 10 0 CHAERN Cc1cnc([C@@H](C)N[C@H](C)c2cc(F)ccc2F)o1 ZINC000220905854 333170669 /nfs/dbraw/zinc/17/06/69/333170669.db2.gz CRLZKWOXXFNDRW-NXEZZACHSA-N 0 0 266.291 3.673 10 0 CHAERN Cc1cc(C)c(NC(=O)N[C@@H]2C[C@@H]2C)cc1Br ZINC000187535718 333172259 /nfs/dbraw/zinc/17/22/59/333172259.db2.gz XEGPHHQHUDPCQM-GXSJLCMTSA-N 0 0 297.196 3.596 10 0 CHAERN CC(C)N(C)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000190671827 333209587 /nfs/dbraw/zinc/20/95/87/333209587.db2.gz NUTFXAGLICAZTM-QGZVFWFLSA-N 0 0 286.419 3.989 10 0 CHAERN CCOC1CC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000224377738 333220033 /nfs/dbraw/zinc/22/00/33/333220033.db2.gz GMNWCFVTVBCFNK-GCVQQVDUSA-N 0 0 271.763 3.697 10 0 CHAERN Cc1cc([C@]2(O)CCC[C@@H]2C)ccc1Br ZINC000521400577 333250013 /nfs/dbraw/zinc/25/00/13/333250013.db2.gz BCVQXNFDCZYMTE-GWCFXTLKSA-N 0 0 269.182 3.765 10 0 CHAERN CC(C)CCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397860 333252000 /nfs/dbraw/zinc/25/20/00/333252000.db2.gz QVLRWUXQQSNFKZ-CYBMUJFWSA-N 0 0 296.480 3.860 10 0 CHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2C)o1 ZINC000193644731 333254495 /nfs/dbraw/zinc/25/44/95/333254495.db2.gz UWJNDUIGBDFVGQ-KGLIPLIRSA-N 0 0 286.375 3.574 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc2ccccc2c1 ZINC000193852346 333259347 /nfs/dbraw/zinc/25/93/47/333259347.db2.gz SSHHYPWPYLCNII-SUNYJGFJSA-N 0 0 297.398 3.690 10 0 CHAERN CCc1nnc(CSc2ccc(C(C)C)cc2)n1C ZINC000194690683 333275592 /nfs/dbraw/zinc/27/55/92/333275592.db2.gz RUYLOSIWRKPQNX-UHFFFAOYSA-N 0 0 275.421 3.793 10 0 CHAERN O=C(N[C@H]1COc2ccccc21)c1cccc2ccccc21 ZINC000194872935 333278546 /nfs/dbraw/zinc/27/85/46/333278546.db2.gz SXCGGKBIWBWLLY-KRWDZBQOSA-N 0 0 289.334 3.703 10 0 CHAERN CC(C)c1cc(Br)ccc1O[C@H](C)[C@@H](C)O ZINC000227998639 333292228 /nfs/dbraw/zinc/29/22/28/333292228.db2.gz ZLOVUWRFMOJSLB-NXEZZACHSA-N 0 0 287.197 3.721 10 0 CHAERN C[C@@H]1CCC[C@@H](c2noc(-c3ccc(O)cc3F)n2)C1 ZINC000230229037 333316169 /nfs/dbraw/zinc/31/61/69/333316169.db2.gz CBFICPSNSQAYBN-NXEZZACHSA-N 0 0 276.311 3.875 10 0 CHAERN Cc1ccccc1NCCc1nc([C@@H]2CC2(C)C)no1 ZINC000230996294 333323485 /nfs/dbraw/zinc/32/34/85/333323485.db2.gz LLRXFHWBGCMAQJ-LBPRGKRZSA-N 0 0 271.364 3.546 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000231691148 333328206 /nfs/dbraw/zinc/32/82/06/333328206.db2.gz IAQNMPVLMMJGPQ-LRDDRELGSA-N 0 0 270.376 3.703 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(C3CC3)cc2)o1 ZINC000235191218 333366328 /nfs/dbraw/zinc/36/63/28/333366328.db2.gz OJCCIIPBUDHKNL-GFCCVEGCSA-N 0 0 256.349 3.711 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ccc3ccccc3n2)o1 ZINC000235214866 333366854 /nfs/dbraw/zinc/36/68/54/333366854.db2.gz CLJSQQWBFGFLQK-LLVKDONJSA-N 0 0 253.305 3.704 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(O)ccc1Cl ZINC000235505985 333370258 /nfs/dbraw/zinc/37/02/58/333370258.db2.gz JNTUPAOXQBMDEF-NSHDSACASA-N 0 0 289.762 3.845 10 0 CHAERN CC[C@@H](Nc1nc(C)nc2sc(C)c(C)c21)C(C)(C)O ZINC000338788133 335138561 /nfs/dbraw/zinc/13/85/61/335138561.db2.gz HFPPVDAFHOYHJM-LLVKDONJSA-N 0 0 293.436 3.578 10 0 CHAERN Cc1nc([C@H](C)NCc2ccsc2C)cs1 ZINC000339249824 335142693 /nfs/dbraw/zinc/14/26/93/335142693.db2.gz ZVAZCBXEXWNIGU-QMMMGPOBSA-N 0 0 252.408 3.672 10 0 CHAERN CCc1ccc([C@H](CC)Nc2cnn(CCOC)c2)cc1 ZINC000037090329 333477712 /nfs/dbraw/zinc/47/77/12/333477712.db2.gz JDMHOIQYLNKLNS-KRWDZBQOSA-N 0 0 287.407 3.655 10 0 CHAERN CC[C@@H](C)C[C@H](CC)Nc1cccc(Cn2cncn2)c1 ZINC000037785142 333540372 /nfs/dbraw/zinc/54/03/72/333540372.db2.gz QWPSQAFMVPHROV-ZBFHGGJFSA-N 0 0 286.423 3.953 10 0 CHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC=CCC1 ZINC000128898356 333725233 /nfs/dbraw/zinc/72/52/33/333725233.db2.gz AHNCKZMTLVSNRK-ZIAGYGMSSA-N 0 0 297.320 3.633 10 0 CHAERN CCC1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000070163720 333800007 /nfs/dbraw/zinc/80/00/07/333800007.db2.gz BPHXPBXPJXEQBX-UHFFFAOYSA-N 0 0 270.376 3.867 10 0 CHAERN CS[C@H](C)CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130532809 333850329 /nfs/dbraw/zinc/85/03/29/333850329.db2.gz JEKZETIXJPLXEA-KCXAZCMYSA-N 0 0 291.460 3.781 10 0 CHAERN CSCCCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000132649423 333994658 /nfs/dbraw/zinc/99/46/58/333994658.db2.gz MAKKVZXHEYIKGE-HOTGVXAUSA-N 0 0 291.460 3.783 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000133872379 334066632 /nfs/dbraw/zinc/06/66/32/334066632.db2.gz PVYOPUVYEMFKAS-BONVTDFDSA-N 0 0 286.762 3.540 10 0 CHAERN CSCCCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000077792762 334115060 /nfs/dbraw/zinc/11/50/60/334115060.db2.gz WJTSBHVDUJTBQS-HNNXBMFYSA-N 0 0 292.448 3.506 10 0 CHAERN O=C(CC1CCCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078491038 334134655 /nfs/dbraw/zinc/13/46/55/334134655.db2.gz HFSZBBKGTHNOIW-NWDGAFQWSA-N 0 0 277.330 3.804 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000079411715 334153796 /nfs/dbraw/zinc/15/37/96/334153796.db2.gz XTXSRRLCZOSACI-STQMWFEESA-N 0 0 265.372 3.555 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000079411719 334153885 /nfs/dbraw/zinc/15/38/85/334153885.db2.gz XTXSRRLCZOSACI-CHWSQXEVSA-N 0 0 265.372 3.555 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000080453332 334171717 /nfs/dbraw/zinc/17/17/17/334171717.db2.gz GAAUZSYRBJBQKU-WDEREUQCSA-N 0 0 276.405 3.721 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cccc(OCCOC)c2)C1 ZINC000080458072 334171936 /nfs/dbraw/zinc/17/19/36/334171936.db2.gz ILDTVBQQJGSPTD-UKRRQHHQSA-N 0 0 263.381 3.702 10 0 CHAERN CC[C@@H](C)CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000245881479 334222730 /nfs/dbraw/zinc/22/27/30/334222730.db2.gz UNAYREVXZWTENK-CHWSQXEVSA-N 0 0 296.480 3.860 10 0 CHAERN CC[C@@H](C)Oc1cccc(NC[C@H](O)C(C)(C)C)c1 ZINC000311535049 334226476 /nfs/dbraw/zinc/22/64/76/334226476.db2.gz HQKPBFIMSWBDMP-DOMZBBRYSA-N 0 0 265.397 3.683 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246063235 334229146 /nfs/dbraw/zinc/22/91/46/334229146.db2.gz ZHWSZFDBXQEWJA-HBCZOZSTSA-N 0 0 293.357 3.763 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)o1 ZINC000246473430 334259378 /nfs/dbraw/zinc/25/93/78/334259378.db2.gz KPFMVUDCVNSXMV-ZNMIVQPWSA-N 0 0 273.376 3.688 10 0 CHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H]1C ZINC000247179041 334277235 /nfs/dbraw/zinc/27/72/35/334277235.db2.gz ZRDMTBWRZOBTLJ-WRWGMCAJSA-N 0 0 292.345 3.547 10 0 CHAERN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@H]1C ZINC000247530459 334284444 /nfs/dbraw/zinc/28/44/44/334284444.db2.gz XEGRIPJVXLBNBU-UVLXDEKHSA-N 0 0 293.357 3.715 10 0 CHAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@H]2CCCC[C@H]21)C(C)(C)C ZINC000248435558 334301598 /nfs/dbraw/zinc/30/15/98/334301598.db2.gz RSCRWBWQTOGQFD-AAVRWANBSA-N 0 0 266.429 3.641 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@H]2CCC[C@@H](C)CC2)s1 ZINC000249091706 334327343 /nfs/dbraw/zinc/32/73/43/334327343.db2.gz NNYWACUZDBFBEP-WXHSDQCUSA-N 0 0 295.452 3.781 10 0 CHAERN CC[C@H]1CC[C@H](C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000249282687 334331114 /nfs/dbraw/zinc/33/11/14/334331114.db2.gz OBGBKRLSOUYJJL-DZKIICNBSA-N 0 0 287.403 3.843 10 0 CHAERN COc1ccc(Cl)c(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000251137372 334357211 /nfs/dbraw/zinc/35/72/11/334357211.db2.gz IJOJATFYKPFPBY-LERXQTSPSA-N 0 0 281.783 3.574 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)CC2CC2)c2ccccc21 ZINC000153127352 334559374 /nfs/dbraw/zinc/55/93/74/334559374.db2.gz CXBYMKMSHYULHZ-MLGOLLRUSA-N 0 0 272.392 3.676 10 0 CHAERN CC(C)N(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000153132403 334560159 /nfs/dbraw/zinc/56/01/59/334560159.db2.gz WVQZKGAPKVPMOL-IUODEOHRSA-N 0 0 260.381 3.675 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)N(C)C2CCC2)c2ccccc21 ZINC000153190955 334569486 /nfs/dbraw/zinc/56/94/86/334569486.db2.gz ZJJLZIPAODOTEW-BLLLJJGKSA-N 0 0 272.392 3.819 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2Nc2ccccc2)O1 ZINC000180797279 335624578 /nfs/dbraw/zinc/62/45/78/335624578.db2.gz IWKHARPUEOADHJ-CXAGYDPISA-N 0 0 296.370 3.936 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCCC[C@@H]2CCCCO2)CC(C)(C)C1 ZINC000183432580 335893405 /nfs/dbraw/zinc/89/34/05/335893405.db2.gz HNESOMIPXKYGEA-PMPSAXMXSA-N 0 0 295.467 3.914 10 0 CHAERN O=C(c1coc(Br)c1)N1CCCC12CCCC2 ZINC000366125460 335919085 /nfs/dbraw/zinc/91/90/85/335919085.db2.gz DBFNPAZYKFJUBL-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN COC(C)(C)[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000380677509 336015872 /nfs/dbraw/zinc/01/58/72/336015872.db2.gz OYGLDLPNQYQULX-VIFPVBQESA-N 0 0 261.287 3.931 10 0 CHAERN CC(C)c1nnc(CNc2ccc(Cl)cc2Cl)n1C ZINC000194982074 336041783 /nfs/dbraw/zinc/04/17/83/336041783.db2.gz YLSATXJTUBURMC-UHFFFAOYSA-N 0 0 299.205 3.857 10 0 CHAERN Cc1ccc(NCc2nnc(C(C)C)n2C)cc1Cl ZINC000194989349 336042168 /nfs/dbraw/zinc/04/21/68/336042168.db2.gz HMUHRBPQARHUDJ-UHFFFAOYSA-N 0 0 278.787 3.512 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000384528347 336125147 /nfs/dbraw/zinc/12/51/47/336125147.db2.gz CFSVMTGBIXUJRJ-KBVBSXBZSA-N 0 0 259.271 3.683 10 0 CHAERN Brc1ccsc1Cn1ncc2ccccc21 ZINC000050527397 518228588 /nfs/dbraw/zinc/22/85/88/518228588.db2.gz VTORGWLDTXVQFK-UHFFFAOYSA-N 0 0 293.189 3.909 10 0 CHAERN CC(=O)c1sc(N(C)c2ccc(F)cc2)nc1C ZINC000054863048 518496260 /nfs/dbraw/zinc/49/62/60/518496260.db2.gz WFOYCXOPPMDYSA-UHFFFAOYSA-N 0 0 264.325 3.561 10 0 CHAERN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000062751685 520829944 /nfs/dbraw/zinc/82/99/44/520829944.db2.gz VVOQYCKUJWOMBA-LJISPDSOSA-N 0 0 269.429 3.634 10 0 CHAERN CCCN(CC(F)(F)F)[C@H](C)CNc1ccccc1 ZINC000053494739 521585766 /nfs/dbraw/zinc/58/57/66/521585766.db2.gz RLTZYTVBKMGJLM-GFCCVEGCSA-N 0 0 274.330 3.761 10 0 CHAERN CNc1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000050720927 522587114 /nfs/dbraw/zinc/58/71/14/522587114.db2.gz VMPVLMJSNJCCET-UHFFFAOYSA-N 0 0 260.381 3.571 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000334762290 534150720 /nfs/dbraw/zinc/15/07/20/534150720.db2.gz IIPAJCQHCKBDBS-ZWNOBZJWSA-N 0 0 264.756 3.665 10 0 CHAERN C[C@@H]1CC(c2noc(C3CCC(=O)CC3)n2)C[C@@H](C)C1 ZINC000336092949 534150685 /nfs/dbraw/zinc/15/06/85/534150685.db2.gz VKZSCAOWEBZOGN-QWRGUYRKSA-N 0 0 276.380 3.836 10 0 CHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCCC(=O)N2)n1 ZINC000329588984 534166626 /nfs/dbraw/zinc/16/66/26/534166626.db2.gz NDEIOGDSVMRKRX-OUAUKWLOSA-N 0 0 263.341 3.545 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@H]2CCC(C)(C)O2)n1 ZINC000329754117 534167663 /nfs/dbraw/zinc/16/76/63/534167663.db2.gz KORRBQJDLLQOCZ-FRRDWIJNSA-N 0 0 294.395 3.795 10 0 CHAERN CCc1c(C)nc(-c2ccc(C)c(C)c2)nc1NC ZINC000103969524 517842973 /nfs/dbraw/zinc/84/29/73/517842973.db2.gz POIAGMOFCZVMSY-UHFFFAOYSA-N 0 0 255.365 3.673 10 0 CHAERN Cc1noc(C)c1-c1noc(C2=CCC(C)(C)CC2)n1 ZINC000333226111 534317254 /nfs/dbraw/zinc/31/72/54/534317254.db2.gz NDORXQOIBLOLCF-UHFFFAOYSA-N 0 0 273.336 3.935 10 0 CHAERN CS[C@@H](C)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123324316 518174577 /nfs/dbraw/zinc/17/45/77/518174577.db2.gz BLCPOSMVGFNSJI-FZMZJTMJSA-N 0 0 277.433 3.568 10 0 CHAERN CC(=O)c1cnc(N(C)[C@H](C)c2cccs2)s1 ZINC000054863124 518480295 /nfs/dbraw/zinc/48/02/95/518480295.db2.gz YBFLMFYLMUSYBY-MRVPVSSYSA-N 0 0 266.391 3.605 10 0 CHAERN CC(C)(C)c1ncc(CN[C@H]2COc3ccccc32)s1 ZINC000070070100 519114775 /nfs/dbraw/zinc/11/47/75/519114775.db2.gz WUYIAGQJWCWCLA-ZDUSSCGKSA-N 0 0 288.416 3.664 10 0 CHAERN CC(C)C[C@H](C)OCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000151867377 519319935 /nfs/dbraw/zinc/31/99/35/519319935.db2.gz QAIYZPWJURHZNH-LSDHHAIUSA-N 0 0 293.407 3.784 10 0 CHAERN CC(C)=C(F)C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000153748962 519385770 /nfs/dbraw/zinc/38/57/70/519385770.db2.gz VOBDLOCAPLMWMJ-LBPRGKRZSA-N 0 0 265.328 3.987 10 0 CHAERN CC(C)=C(F)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000151059912 519388398 /nfs/dbraw/zinc/38/83/98/519388398.db2.gz TWFHWDLGTYTKLX-RYUDHWBXSA-N 0 0 265.328 3.843 10 0 CHAERN CC(C)CCN(C)c1nc2c(s1)[C@H](O)CC(C)(C)C2 ZINC000054928298 519651573 /nfs/dbraw/zinc/65/15/73/519651573.db2.gz QSGBBXVTZIOQBT-GFCCVEGCSA-N 0 0 282.453 3.631 10 0 CHAERN CC(C)CCOCCNc1ccc(F)cc1Cl ZINC000049265703 519668837 /nfs/dbraw/zinc/66/88/37/519668837.db2.gz JCRHTODZIDHKTR-UHFFFAOYSA-N 0 0 259.752 3.954 10 0 CHAERN CC(C)CCOc1nc(Cl)nc2ccccc21 ZINC000052811310 519676112 /nfs/dbraw/zinc/67/61/12/519676112.db2.gz YSJPQQDEYNKKMK-UHFFFAOYSA-N 0 0 250.729 3.708 10 0 CHAERN CC(C)COc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000048513475 519765219 /nfs/dbraw/zinc/76/52/19/519765219.db2.gz SXTVTPWOWPQWGI-ZDUSSCGKSA-N 0 0 278.396 3.887 10 0 CHAERN CC(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000163242011 519772857 /nfs/dbraw/zinc/77/28/57/519772857.db2.gz DFUOYTMCZOXEIJ-OLZOCXBDSA-N 0 0 264.369 3.561 10 0 CHAERN CC(C)[C@@H](C)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852181 519792674 /nfs/dbraw/zinc/79/26/74/519792674.db2.gz JJALKPXMRCMUNG-MRVPVSSYSA-N 0 0 271.286 3.854 10 0 CHAERN CC(C)c1cc(Cl)nc(Cc2cccs2)n1 ZINC000052900017 519832884 /nfs/dbraw/zinc/83/28/84/519832884.db2.gz BTJAKYPKQSJUFY-UHFFFAOYSA-N 0 0 252.770 3.906 10 0 CHAERN CC(C)c1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000190632719 519842500 /nfs/dbraw/zinc/84/25/00/519842500.db2.gz OSHWTOXZKDXPSS-WFASDCNBSA-N 0 0 261.365 3.564 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1-c1cccc(F)c1 ZINC000052842764 519869549 /nfs/dbraw/zinc/86/95/49/519869549.db2.gz JNTAZUJOSAOOKI-UHFFFAOYSA-N 0 0 269.323 3.870 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1cccnc1 ZINC000154043166 520034182 /nfs/dbraw/zinc/03/41/82/520034182.db2.gz HDUUHESZIMCTAA-JKSUJKDBSA-N 0 0 272.392 3.651 10 0 CHAERN CCCNc1cc(C)nc(Cc2ccccc2C)n1 ZINC000050849213 520136178 /nfs/dbraw/zinc/13/61/78/520136178.db2.gz FKJQPCAJLFSABA-UHFFFAOYSA-N 0 0 255.365 3.506 10 0 CHAERN CCCNc1ccccc1C(=O)N1CCCC[C@H]1C ZINC000050724823 520175185 /nfs/dbraw/zinc/17/51/85/520175185.db2.gz KZZDFXUMENPWGI-CYBMUJFWSA-N 0 0 260.381 3.523 10 0 CHAERN CCCNc1ncccc1CO[C@@H]1CCCC[C@H]1C ZINC000052754789 520196011 /nfs/dbraw/zinc/19/60/11/520196011.db2.gz LNOHJNBVRXALKG-UKRRQHHQSA-N 0 0 262.397 3.999 10 0 CHAERN CC[NH2+][C@](C)(CCCS[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000054695688 520229369 /nfs/dbraw/zinc/22/93/69/520229369.db2.gz RMVPSHJOCDFTPT-GZBFAFLISA-N 0 0 287.469 3.531 10 0 CHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccsc2)C12CCCC2 ZINC000150802338 520342089 /nfs/dbraw/zinc/34/20/89/520342089.db2.gz HZMOXUJKSHXRTK-ZIAGYGMSSA-N 0 0 293.432 3.558 10 0 CHAERN CCNc1nc2ccccc2cc1COC(C)(C)C ZINC000050832273 520360795 /nfs/dbraw/zinc/36/07/95/520360795.db2.gz HOBHAVMHGDATJA-UHFFFAOYSA-N 0 0 258.365 3.982 10 0 CHAERN CCCOc1ccc([C@@H](O)c2ccc(C)cc2)cc1 ZINC000055262794 520419729 /nfs/dbraw/zinc/41/97/29/520419729.db2.gz SYWRAUNXOQJNFC-KRWDZBQOSA-N 0 0 256.345 3.866 10 0 CHAERN c1ccc(Cc2noc(C3C4CC5CC(C4)CC3C5)n2)nc1 ZINC000329228725 534492563 /nfs/dbraw/zinc/49/25/63/534492563.db2.gz IUVDMRNADRLEIU-UHFFFAOYSA-N 0 0 295.386 3.595 10 0 CHAERN CC1CCC(CNc2c(F)cc(N)cc2F)CC1 ZINC000063145008 520923977 /nfs/dbraw/zinc/92/39/77/520923977.db2.gz AVBSSFQPBBRQHJ-UHFFFAOYSA-N 0 0 254.324 3.785 10 0 CHAERN CCC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000129039566 521005892 /nfs/dbraw/zinc/00/58/92/521005892.db2.gz KLKVMSVJRMMFJN-WCQYABFASA-N 0 0 287.325 3.712 10 0 CHAERN CC1CCN(Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050839775 521025022 /nfs/dbraw/zinc/02/50/22/521025022.db2.gz OLJUKNFPPPDRMY-UHFFFAOYSA-N 0 0 281.812 3.577 10 0 CHAERN CCC[C@H](O)[C@@H](CC)n1c2ccccc2nc1CC ZINC000062807851 521192515 /nfs/dbraw/zinc/19/25/15/521192515.db2.gz WAYOPQHIYZZDIU-HIFRSBDPSA-N 0 0 260.381 3.711 10 0 CHAERN CCC[C@H](c1cccs1)n1c(CC)n[nH]c1=S ZINC000049546396 521196944 /nfs/dbraw/zinc/19/69/44/521196944.db2.gz LTVVAZNVJUYBSI-SECBINFHSA-N 0 0 267.423 3.954 10 0 CHAERN CCOc1ccc([C@@](C)(O)[C@@H](C)CC)cc1OCC ZINC000055192780 521250732 /nfs/dbraw/zinc/25/07/32/521250732.db2.gz ANZQCBZHYACKRW-LRDDRELGSA-N 0 0 266.381 3.738 10 0 CHAERN CCOc1ccc([C@H](O)c2cc(C)ccc2F)cc1 ZINC000052998857 521264011 /nfs/dbraw/zinc/26/40/11/521264011.db2.gz YLXNPKUBVAGGAM-INIZCTEOSA-N 0 0 260.308 3.615 10 0 CHAERN CCCc1ccccc1NC(=O)OCC(F)(F)F ZINC000049561626 521444374 /nfs/dbraw/zinc/44/43/74/521444374.db2.gz PHIFTAMCLCJDLH-UHFFFAOYSA-N 0 0 261.243 3.750 10 0 CHAERN CCN(c1cc(C)nc(Cl)n1)C1CCCCC1 ZINC000052814183 521478694 /nfs/dbraw/zinc/47/86/94/521478694.db2.gz OLOMCOUZUBSMLB-UHFFFAOYSA-N 0 0 253.777 3.597 10 0 CHAERN CCCN(CC1CC1)c1nnc(Cl)c2ccccc21 ZINC000050529753 521627193 /nfs/dbraw/zinc/62/71/93/521627193.db2.gz VCYRXBXWWNGFRE-UHFFFAOYSA-N 0 0 275.783 3.910 10 0 CHAERN CCCN(c1nc2c(s1)[C@H](O)CC(C)(C)C2)C(C)C ZINC000054910930 521697645 /nfs/dbraw/zinc/69/76/45/521697645.db2.gz ZRIMUZOHOPOXDT-GFCCVEGCSA-N 0 0 282.453 3.774 10 0 CHAERN CC[C@H](NC(=O)c1cc(Cl)ncc1Cl)C(C)C ZINC000129228925 522525046 /nfs/dbraw/zinc/52/50/46/522525046.db2.gz BSLKGUYQGANNHR-JTQLQIEISA-N 0 0 275.179 3.553 10 0 CHAERN COC[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000103359333 522546174 /nfs/dbraw/zinc/54/61/74/522546174.db2.gz ZKSLMHFAZNBKAD-HNNXBMFYSA-N 0 0 283.371 3.502 10 0 CHAERN CNc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000051068459 522656254 /nfs/dbraw/zinc/65/62/54/522656254.db2.gz WAQPMDRMNQSFEX-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CNc1nc2ccsc2c(NCC2CCCCC2)n1 ZINC000061906529 522691259 /nfs/dbraw/zinc/69/12/59/522691259.db2.gz HUPJRPNZHVPLHI-UHFFFAOYSA-N 0 0 276.409 3.725 10 0 CHAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1C)c1ccncc1 ZINC000073414289 522735670 /nfs/dbraw/zinc/73/56/70/522735670.db2.gz VSLDEMMGUYONFH-WMLDXEAASA-N 0 0 297.402 3.902 10 0 CHAERN CC[C@@H](N[C@@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000069150313 522906398 /nfs/dbraw/zinc/90/63/98/522906398.db2.gz YUCZZYCDOBFRSS-ZIAGYGMSSA-N 0 0 283.799 3.578 10 0 CHAERN COCCC1(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000151704039 523055839 /nfs/dbraw/zinc/05/58/39/523055839.db2.gz OYTVKWRVJLKTIJ-JKSUJKDBSA-N 0 0 293.451 3.526 10 0 CHAERN CC[C@@H]1CCCCN1c1ccc(C(N)=S)cc1Cl ZINC000062795235 523177569 /nfs/dbraw/zinc/17/75/69/523177569.db2.gz CRAGQUQMOMALJL-LLVKDONJSA-N 0 0 282.840 3.743 10 0 CHAERN CN(Cc1ccc(Cl)cc1N)Cc1ccccc1F ZINC000050442938 523229383 /nfs/dbraw/zinc/22/93/83/523229383.db2.gz CDYHWIDHIRSTDA-UHFFFAOYSA-N 0 0 278.758 3.693 10 0 CHAERN CN(c1nc2c(s1)C(=O)CCC2)C1CCCCCC1 ZINC000054862394 523663267 /nfs/dbraw/zinc/66/32/67/523663267.db2.gz LXXNUJTYUDPOEC-UHFFFAOYSA-N 0 0 278.421 3.821 10 0 CHAERN CCc1c(C)nc(-c2cccc(Cl)c2)[nH]c1=S ZINC000045956292 523710192 /nfs/dbraw/zinc/71/01/92/523710192.db2.gz VGIYSKDXKHLMEQ-UHFFFAOYSA-N 0 0 264.781 3.957 10 0 CHAERN COc1ccc(C(=O)[C@H]2CCC[C@H](C)C2)cc1F ZINC000055262666 523780382 /nfs/dbraw/zinc/78/03/82/523780382.db2.gz WDTCTUMOGOETQQ-QWRGUYRKSA-N 0 0 250.313 3.843 10 0 CHAERN CCc1ccc(-c2nc(N)c3ccccc3n2)s1 ZINC000050786077 523861182 /nfs/dbraw/zinc/86/11/82/523861182.db2.gz HIAGSHNZHAVHJB-UHFFFAOYSA-N 0 0 255.346 3.503 10 0 CHAERN CCc1ccc(-c2nc3ccccc3c(NC)n2)s1 ZINC000050786113 523861360 /nfs/dbraw/zinc/86/13/60/523861360.db2.gz HUBDMQFNDMHWJO-UHFFFAOYSA-N 0 0 269.373 3.962 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)SC)o1 ZINC000128387203 524035389 /nfs/dbraw/zinc/03/53/89/524035389.db2.gz OHKYPZYNBAHCJY-AAEUAGOBSA-N 0 0 281.421 3.647 10 0 CHAERN CCc1ccc([C@@](C)(O)c2cc(F)ccc2C)cc1 ZINC000055193034 524040947 /nfs/dbraw/zinc/04/09/47/524040947.db2.gz FXTONNRKUGTRLQ-QGZVFWFLSA-N 0 0 258.336 3.952 10 0 CHAERN CCc1ccc2oc(C(=O)NCc3ccco3)c(C)c2c1 ZINC000054644784 524061383 /nfs/dbraw/zinc/06/13/83/524061383.db2.gz UMILBSFMGINPHC-UHFFFAOYSA-N 0 0 283.327 3.827 10 0 CHAERN Cc1cccc(-c2c(N)n(C)nc2-c2ccsc2)c1 ZINC000055332086 524106023 /nfs/dbraw/zinc/10/60/23/524106023.db2.gz NAAQHAMZECLGIA-UHFFFAOYSA-N 0 0 269.373 3.706 10 0 CHAERN C[C@H]1CCC[C@@H](N(C)c2cccc(Cl)c2C(N)=S)C1 ZINC000052905984 524144769 /nfs/dbraw/zinc/14/47/69/524144769.db2.gz BXWBNVRQVKDDTO-WDEREUQCSA-N 0 0 296.867 3.989 10 0 CHAERN Cc1cccc(Br)c1C(=O)N[C@H](C)C(C)C ZINC000309343630 524159782 /nfs/dbraw/zinc/15/97/82/524159782.db2.gz LQGQFFCRNDTXBS-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN COc1ccc(Cl)cc1N[C@H](C)Cc1ccco1 ZINC000062769542 524246573 /nfs/dbraw/zinc/24/65/73/524246573.db2.gz GGWBOLDDTFJJBS-SNVBAGLBSA-N 0 0 265.740 3.985 10 0 CHAERN C[C@@H]1CCC[C@@H](N(C)c2cccc(Cl)c2C(N)=S)C1 ZINC000052905982 524301920 /nfs/dbraw/zinc/30/19/20/524301920.db2.gz BXWBNVRQVKDDTO-GHMZBOCLSA-N 0 0 296.867 3.989 10 0 CHAERN C[C@@H](CC(=O)N1CCCc2c(N)cccc21)c1ccccc1 ZINC000237331644 524354194 /nfs/dbraw/zinc/35/41/94/524354194.db2.gz AINGIFCEEZBDDX-AWEZNQCLSA-N 0 0 294.398 3.742 10 0 CHAERN Cc1ccc(CNc2ccc(N)c3ncccc23)s1 ZINC000050226459 524613754 /nfs/dbraw/zinc/61/37/54/524613754.db2.gz VDSBCUINQTYECJ-UHFFFAOYSA-N 0 0 269.373 3.799 10 0 CHAERN COc1ccccc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000062126565 524623203 /nfs/dbraw/zinc/62/32/03/524623203.db2.gz RFZMLDMKIYVPFX-QGZVFWFLSA-N 0 0 281.355 3.828 10 0 CHAERN Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1C ZINC000117560830 524658054 /nfs/dbraw/zinc/65/80/54/524658054.db2.gz LJXKCGUPRAEGHW-DYVFJYSZSA-N 0 0 281.355 3.807 10 0 CHAERN Cc1cccc(NC(=O)c2cccc3c2NCCC3)c1C ZINC000050957339 524663207 /nfs/dbraw/zinc/66/32/07/524663207.db2.gz SHLPFFZKWLYJPB-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN COc1ccc(NC(C)=O)cc1NC1CCC(C)CC1 ZINC000037055240 524672593 /nfs/dbraw/zinc/67/25/93/524672593.db2.gz LZDMYUHONSPPAZ-UHFFFAOYSA-N 0 0 276.380 3.644 10 0 CHAERN C[C@@H](CNc1ccccc1)Oc1cc(F)cc(F)c1 ZINC000054934849 524758523 /nfs/dbraw/zinc/75/85/23/524758523.db2.gz FRMUFLNDIKYRNC-NSHDSACASA-N 0 0 263.287 3.844 10 0 CHAERN Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000052980607 524800986 /nfs/dbraw/zinc/80/09/86/524800986.db2.gz GIXDIMWZJSRLCR-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000075524948 524852008 /nfs/dbraw/zinc/85/20/08/524852008.db2.gz GUDHKOGBWPAPBG-GWCFXTLKSA-N 0 0 257.358 3.553 10 0 CHAERN Cc1ccc(N(C)Cc2ccc(Cl)cc2N)cc1 ZINC000050443277 524887837 /nfs/dbraw/zinc/88/78/37/524887837.db2.gz DNZSUYOWEVNNKT-UHFFFAOYSA-N 0 0 260.768 3.867 10 0 CHAERN Cc1ccc(N(C)c2ncc(Br)cc2N)cc1 ZINC000050003009 524889526 /nfs/dbraw/zinc/88/95/26/524889526.db2.gz YVFMLBLERDHDPF-UHFFFAOYSA-N 0 0 292.180 3.503 10 0 CHAERN Cc1ccc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000052999755 524904107 /nfs/dbraw/zinc/90/41/07/524904107.db2.gz QVODSRTYVSVXPB-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Cc1ccc(N)c(NC(=O)c2ccc(Cl)s2)c1C ZINC000051171104 524905315 /nfs/dbraw/zinc/90/53/15/524905315.db2.gz ZQVXDAXIHRFPDS-UHFFFAOYSA-N 0 0 280.780 3.853 10 0 CHAERN Cc1cc(Cl)nc(-c2ccc3ncccc3c2)n1 ZINC000062801661 524916290 /nfs/dbraw/zinc/91/62/90/524916290.db2.gz YPDFLSUXAPDWEU-UHFFFAOYSA-N 0 0 255.708 3.654 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1cccc2ncccc21 ZINC000062769493 524930602 /nfs/dbraw/zinc/93/06/02/524930602.db2.gz DMPKXJSMTHUGIB-LBPRGKRZSA-N 0 0 252.317 3.871 10 0 CHAERN Cc1cc(F)ccc1[C@@H](CO)Nc1cccc(Cl)c1 ZINC000050580704 525003597 /nfs/dbraw/zinc/00/35/97/525003597.db2.gz RWMPIABWXPMOJZ-OAHLLOKOSA-N 0 0 279.742 3.933 10 0 CHAERN C[C@@H](NC(=O)CCCCCc1cccs1)[C@@H]1CCCO1 ZINC000067135987 525084624 /nfs/dbraw/zinc/08/46/24/525084624.db2.gz AYDKARGGXJQVKK-HIFRSBDPSA-N 0 0 295.448 3.535 10 0 CHAERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000045114636 525105138 /nfs/dbraw/zinc/10/51/38/525105138.db2.gz AZLDPHJHIIDMLI-BBRMVZONSA-N 0 0 296.370 3.571 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1csc(C2CC2)n1 ZINC000194788396 534835614 /nfs/dbraw/zinc/83/56/14/534835614.db2.gz NURWVOKIAQUEDW-NSHDSACASA-N 0 0 286.400 3.820 10 0 CHAERN COc1ccc([C@@H](C)Nc2cccc(C)n2)cc1OC ZINC000040491194 525165941 /nfs/dbraw/zinc/16/59/41/525165941.db2.gz DHHISSUJMASYHC-GFCCVEGCSA-N 0 0 272.348 3.580 10 0 CHAERN COc1ccc([C@@H](C)Nc2ncccc2Cl)cc1OC ZINC000040491198 525167045 /nfs/dbraw/zinc/16/70/45/525167045.db2.gz ZCPYWHJLDFRCSM-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN Cc1cc(N[C@@H](C)c2cccs2)nc(Cl)n1 ZINC000052814372 525293418 /nfs/dbraw/zinc/29/34/18/525293418.db2.gz PCOUFOFQSXWXMU-QMMMGPOBSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(SC(F)F)c1 ZINC000076037338 525327579 /nfs/dbraw/zinc/32/75/79/525327579.db2.gz ZTDOPNQITPIIIF-XCBNKYQSSA-N 0 0 272.320 3.531 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccccc1)C(C)(C)C ZINC000191943493 525555790 /nfs/dbraw/zinc/55/57/90/525555790.db2.gz TTWCTFSZGXLIBQ-HOCLYGCPSA-N 0 0 289.419 3.629 10 0 CHAERN C[C@H](Nc1ccc(N)cn1)c1ccc(Br)cc1 ZINC000049525220 525654655 /nfs/dbraw/zinc/65/46/55/525654655.db2.gz XZTUGUSSQVBXBI-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN Cc1cc2ncc([C@H](C)N[C@@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613479 525684212 /nfs/dbraw/zinc/68/42/12/525684212.db2.gz WIHVFBGDRBENQU-STQMWFEESA-N 0 0 298.390 3.659 10 0 CHAERN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743512 525689185 /nfs/dbraw/zinc/68/91/85/525689185.db2.gz ANHIZAPXDDOFRP-ABAIWWIYSA-N 0 0 288.778 3.909 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CCCOc2ccccc2)o1 ZINC000057464922 525693038 /nfs/dbraw/zinc/69/30/38/525693038.db2.gz ITMLTNXLMSEKPK-CQSZACIVSA-N 0 0 287.359 3.624 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Cl)c2)o1 ZINC000067906797 525696939 /nfs/dbraw/zinc/69/69/39/525696939.db2.gz QGIMNCDGBDOMKF-LLVKDONJSA-N 0 0 277.751 3.661 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2)o1 ZINC000047578454 525706863 /nfs/dbraw/zinc/70/68/63/525706863.db2.gz KLSOYXZSIISIFM-QWHCGFSZSA-N 0 0 272.348 3.709 10 0 CHAERN C[C@@H](Nc1ncccc1N)c1cccc(Br)c1 ZINC000049564110 525729866 /nfs/dbraw/zinc/72/98/66/525729866.db2.gz DSLAKGUHNVKTLA-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)/C=C/c2cccnc2)o1 ZINC000127418870 525797016 /nfs/dbraw/zinc/79/70/16/525797016.db2.gz WPKBNMJCXQPAMD-DZZUKKPASA-N 0 0 296.370 3.750 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615850 525852366 /nfs/dbraw/zinc/85/23/66/525852366.db2.gz CEBWBXUKYHFALG-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1cccc(F)c1F ZINC000062615852 525863825 /nfs/dbraw/zinc/86/38/25/525863825.db2.gz CEBWBXUKYHFALG-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN Cc1ccc([C@@](C)(O)Cc2ccc(F)cc2F)cc1 ZINC000050885491 525867668 /nfs/dbraw/zinc/86/76/68/525867668.db2.gz NULVJCIKLDBPCA-INIZCTEOSA-N 0 0 262.299 3.723 10 0 CHAERN Cc1ccsc1[C@H](C)Nc1cccc(Cn2cncn2)c1 ZINC000070091752 525888342 /nfs/dbraw/zinc/88/83/42/525888342.db2.gz DXISFNUHHUENJO-ZDUSSCGKSA-N 0 0 298.415 3.869 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)o1 ZINC000047578455 525900595 /nfs/dbraw/zinc/90/05/95/525900595.db2.gz KLSOYXZSIISIFM-STQMWFEESA-N 0 0 272.348 3.709 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cc(C)ccc2F)o1 ZINC000053007666 525907650 /nfs/dbraw/zinc/90/76/50/525907650.db2.gz ZQNQFNYWLJVMJU-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN C[C@H](SCC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000105633756 525972946 /nfs/dbraw/zinc/97/29/46/525972946.db2.gz IGBOHKOHWZQQRI-VIFPVBQESA-N 0 0 287.375 3.674 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)COc2ccccc2)o1 ZINC000127896429 525992104 /nfs/dbraw/zinc/99/21/04/525992104.db2.gz OSGNPAHLGXOSOG-MRXNPFEDSA-N 0 0 299.370 3.721 10 0 CHAERN C[C@H](c1cccc(F)c1)n1c(C2CC2)n[nH]c1=S ZINC000049531436 526081011 /nfs/dbraw/zinc/08/10/11/526081011.db2.gz NZUYATJVCDUXHH-MRVPVSSYSA-N 0 0 263.341 3.566 10 0 CHAERN COc1cccc(Nc2cccc(Cl)c2C(N)=S)c1 ZINC000052904216 526211664 /nfs/dbraw/zinc/21/16/64/526211664.db2.gz SVVASYVXBISYGQ-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN COc1cccc(Nc2nc3ccc(N)cc3s2)c1 ZINC000063103385 526213239 /nfs/dbraw/zinc/21/32/39/526213239.db2.gz ZSGXNEMLPQSQLH-UHFFFAOYSA-N 0 0 271.345 3.631 10 0 CHAERN Cc1ccc(C(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000055235715 526241504 /nfs/dbraw/zinc/24/15/04/526241504.db2.gz CIDSWRCBYAVVIM-UHFFFAOYSA-N 0 0 264.246 3.952 10 0 CHAERN C[C@H]1CCCC[C@@H]1N(C)c1cccc(Cl)c1C(N)=S ZINC000052907135 526256043 /nfs/dbraw/zinc/25/60/43/526256043.db2.gz SHHRFZODFYSFLI-JQWIXIFHSA-N 0 0 296.867 3.989 10 0 CHAERN O[C@H](Cc1ccc(F)cc1F)Cc1ccccc1Cl ZINC000050885840 526295955 /nfs/dbraw/zinc/29/59/55/526295955.db2.gz VWLWMMGTOBMAOB-ZDUSSCGKSA-N 0 0 282.717 3.764 10 0 CHAERN C1=CC[C@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@@H]2C1 ZINC000301411897 526418472 /nfs/dbraw/zinc/41/84/72/526418472.db2.gz KNFVVJGOZCGDQY-RYUDHWBXSA-N 0 0 297.427 3.582 10 0 CHAERN Cc1nc(-c2csc3ccccc32)nc(N)c1C ZINC000054463148 526624123 /nfs/dbraw/zinc/62/41/23/526624123.db2.gz XUWKKVWMYRNKJP-UHFFFAOYSA-N 0 0 255.346 3.557 10 0 CHAERN O=C(c1ccc(F)cc1)c1cccc2cccnc21 ZINC000061412569 526690864 /nfs/dbraw/zinc/69/08/64/526690864.db2.gz LHFYEEVJUJMZSL-UHFFFAOYSA-N 0 0 251.260 3.605 10 0 CHAERN O=C1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000049596760 526971651 /nfs/dbraw/zinc/97/16/51/526971651.db2.gz OVYALWHMHKDOOR-LLVKDONJSA-N 0 0 297.192 3.977 10 0 CHAERN N[C@H](c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000058376870 527392930 /nfs/dbraw/zinc/39/29/30/527392930.db2.gz OLNLGTLCVLUNOZ-HNNXBMFYSA-N 0 0 266.369 3.858 10 0 CHAERN Nc1c(F)cccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000054204378 527435104 /nfs/dbraw/zinc/43/51/04/527435104.db2.gz LHJXWRZIHFMOPA-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Nc1cc(F)ccc1-c1nc(-c2c[nH]c3ccccc32)no1 ZINC000073637943 527454689 /nfs/dbraw/zinc/45/46/89/527454689.db2.gz ZWNCXLUGULVMAB-UHFFFAOYSA-N 0 0 294.289 3.606 10 0 CHAERN Nc1ccc(Cl)cc1OCc1cccc(F)c1 ZINC000051609021 527486922 /nfs/dbraw/zinc/48/69/22/527486922.db2.gz FNAOYDNGYBFWFW-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN Nc1ccc(F)c(F)c1N(Cc1cccs1)C1CC1 ZINC000053166150 527488110 /nfs/dbraw/zinc/48/81/10/527488110.db2.gz IOZDEVAPYJYYPH-UHFFFAOYSA-N 0 0 280.343 3.778 10 0 CHAERN Cc1nn(-c2c(C)cc(C)cc2C)c(Cl)c1C=O ZINC000055265850 527518010 /nfs/dbraw/zinc/51/80/10/527518010.db2.gz IBHLJUMUSGUSEL-UHFFFAOYSA-N 0 0 262.740 3.572 10 0 CHAERN Cn1nc(CCC2CCCC2)c(-c2cccs2)c1N ZINC000052901599 527554518 /nfs/dbraw/zinc/55/45/18/527554518.db2.gz GZYLUPFXHGEVON-UHFFFAOYSA-N 0 0 275.421 3.854 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(C(F)(F)F)c1 ZINC000087406436 527700424 /nfs/dbraw/zinc/70/04/24/527700424.db2.gz PEFYZEZEEWJAIV-VIFPVBQESA-N 0 0 283.297 3.920 10 0 CHAERN CC[C@@H](C)c1nc2[nH]cc(Br)c2c(Cl)n1 ZINC000584881444 567882708 /nfs/dbraw/zinc/88/27/08/567882708.db2.gz RWIFOYDPSMZRIN-RXMQYKEDSA-N 0 0 288.576 3.839 10 0 CHAERN Clc1ncc(Cl)c(-n2ccc3ccccc32)n1 ZINC000085224020 567907206 /nfs/dbraw/zinc/90/72/06/567907206.db2.gz FGNVVUMUTWAJAL-UHFFFAOYSA-N 0 0 264.115 3.727 10 0 CHAERN CC(C)[NH+](C(C)C)[C@@H]1CC[C@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000725271481 567924761 /nfs/dbraw/zinc/92/47/61/567924761.db2.gz NRYHJZQCGXZFTQ-GRYCIOLGSA-N 0 0 295.345 3.537 10 0 CHAERN Brc1ccc2nc(-c3ccsc3)cn2c1 ZINC000228008980 570244778 /nfs/dbraw/zinc/24/47/78/570244778.db2.gz ARVKCDWQQOBFGK-UHFFFAOYSA-N 0 0 279.162 3.825 10 0 CHAERN COc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2 ZINC000014488318 571709917 /nfs/dbraw/zinc/70/99/17/571709917.db2.gz ACHFSGOIKJNVJV-UHFFFAOYSA-N 0 0 284.267 3.543 10 0 endogenous,in-man CHAERN C[C@@H]1CCC[C@@](O)(c2ccccc2Br)C1 ZINC000521400649 566895274 /nfs/dbraw/zinc/89/52/74/566895274.db2.gz CBNWRLJTBYMBBX-MFKMUULPSA-N 0 0 269.182 3.847 10 0 CHAERN C[C@H]1C(=O)CC[C@@H]1Sc1ccccc1Br ZINC000083000440 566961932 /nfs/dbraw/zinc/96/19/32/566961932.db2.gz JTMPGQGPBHAXQN-KWQFWETISA-N 0 0 285.206 3.909 10 0 CHAERN CC(=O)O[C@H]1CCCCCCCCCC[C@H]1C1OCCO1 ZINC000048523831 567090176 /nfs/dbraw/zinc/09/01/76/567090176.db2.gz YSEIGAWXYFYXOY-CVEARBPZSA-N 0 0 298.423 3.822 10 0 CHAERN CC(=O)c1cnc(NC2CCCCCCC2)nc1C ZINC000048523200 567091680 /nfs/dbraw/zinc/09/16/80/567091680.db2.gz KBACVBUJUQOWTH-UHFFFAOYSA-N 0 0 261.369 3.512 10 0 CHAERN CCNc1nccc(Sc2ccc(Cl)cc2)n1 ZINC000058825525 567217415 /nfs/dbraw/zinc/21/74/15/567217415.db2.gz NFKLZULKWWXFGG-UHFFFAOYSA-N 0 0 265.769 3.713 10 0 CHAERN CCCN1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000712128188 567837613 /nfs/dbraw/zinc/83/76/13/567837613.db2.gz VMKAQTADUQFOIK-UHFFFAOYSA-N 0 0 251.414 3.646 10 0 CHAERN Cc1cccc(NC(=O)CCc2cccc(F)c2)c1 ZINC000010403671 567861504 /nfs/dbraw/zinc/86/15/04/567861504.db2.gz OEMOSAJEUAGKTH-UHFFFAOYSA-N 0 0 257.308 3.705 10 0 CHAERN C[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013467208 567866299 /nfs/dbraw/zinc/86/62/99/567866299.db2.gz DMSFWIJHZMGIJI-GHAFMNRKSA-N 0 0 286.415 3.855 10 0 CHAERN CN(C)c1ncc(-c2ccccc2F)cc1C(F)(F)F ZINC000584881666 567882783 /nfs/dbraw/zinc/88/27/83/567882783.db2.gz YXAWBUIVMFJSBB-UHFFFAOYSA-N 0 0 284.256 3.973 10 0 CHAERN COc1ccc(Br)cc1COC1CCC1 ZINC000050521125 567893838 /nfs/dbraw/zinc/89/38/38/567893838.db2.gz XCBBYGUVONHBCW-UHFFFAOYSA-N 0 0 271.154 3.527 10 0 CHAERN Cc1cc(Br)cn2cc(-c3ccco3)nc12 ZINC000036244279 567899243 /nfs/dbraw/zinc/89/92/43/567899243.db2.gz VZRMEWOSLIWYOT-UHFFFAOYSA-N 0 0 277.121 3.665 10 0 CHAERN CC(C)Oc1ccc(-c2cc(Br)ncn2)cc1 ZINC000125606327 567899469 /nfs/dbraw/zinc/89/94/69/567899469.db2.gz QVGUMGJXRALKKR-UHFFFAOYSA-N 0 0 293.164 3.693 10 0 CHAERN Cc1nc(Cl)cc(-c2cccc(Br)c2)n1 ZINC000123235062 567899614 /nfs/dbraw/zinc/89/96/14/567899614.db2.gz RVWBXHWJJFEKHC-UHFFFAOYSA-N 0 0 283.556 3.868 10 0 CHAERN CCOC(=O)c1c(C)nc(-c2ccccn2)cc1C(F)F ZINC000409429155 567899744 /nfs/dbraw/zinc/89/97/44/567899744.db2.gz PTQYXOZHPKGCFP-UHFFFAOYSA-N 0 0 292.285 3.566 10 0 CHAERN CN(C)c1ncc(-c2cc(Cl)cnc2F)cc1Cl ZINC000725241500 567907742 /nfs/dbraw/zinc/90/77/42/567907742.db2.gz VNDACQINYPCTGI-UHFFFAOYSA-N 0 0 286.137 3.656 10 0 CHAERN COC(=O)c1csc(CSCC[Si](C)(C)C)n1 ZINC000725245385 567908137 /nfs/dbraw/zinc/90/81/37/567908137.db2.gz HRMQHPGYCGGIGX-UHFFFAOYSA-N 0 0 289.498 3.501 10 0 CHAERN CCCc1nc2cc(C3CCCC3)cc(Cl)n2n1 ZINC000725245995 567908222 /nfs/dbraw/zinc/90/82/22/567908222.db2.gz OBBIZKCERXACLW-UHFFFAOYSA-N 0 0 263.772 3.993 10 0 CHAERN CC(C)c1cc2nc(CC(F)(F)F)nn2c(Cl)c1 ZINC000725245170 567908314 /nfs/dbraw/zinc/90/83/14/567908314.db2.gz BAFFFCLDINNFCP-UHFFFAOYSA-N 0 0 277.677 3.611 10 0 CHAERN CCCc1nc2cc(C)c(C(C)C)c(Br)n2n1 ZINC000725247947 567908577 /nfs/dbraw/zinc/90/85/77/567908577.db2.gz FFRXXLVINBLCTK-UHFFFAOYSA-N 0 0 296.212 3.876 10 0 CHAERN C[C@H]1C[C@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253878 567911640 /nfs/dbraw/zinc/91/16/40/567911640.db2.gz OLIPXRLHQPMRSF-NWDGAFQWSA-N 0 0 261.365 3.706 10 0 CHAERN CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1C ZINC000000319377 567926857 /nfs/dbraw/zinc/92/68/57/567926857.db2.gz OOGMDNLVPXZVHG-QGZVFWFLSA-N 0 0 285.412 3.941 10 0 CHAERN Nc1cnc2c(Cl)c(Cl)c(Br)cc2c1 ZINC000584882349 570229414 /nfs/dbraw/zinc/22/94/14/570229414.db2.gz DLBWPUPQOBXCRP-UHFFFAOYSA-N 0 0 291.963 3.886 10 0 CHAERN C[C@H]1C[C@H](C)n2nc(C(C)(C)C)c(Br)c2N1 ZINC000235722424 570234502 /nfs/dbraw/zinc/23/45/02/570234502.db2.gz VPVNFIJHOKVOIE-YUMQZZPRSA-N 0 0 286.217 3.708 10 0 CHAERN CCCCN(CCCC)c1ccc(C(=O)OC)cc1 ZINC000044199677 570235371 /nfs/dbraw/zinc/23/53/71/570235371.db2.gz NGVPFMMKNULCPN-UHFFFAOYSA-N 0 0 263.381 3.880 10 0 CHAERN CC(C)(C)c1cc2nc(CC(F)(F)F)nn2c(Cl)c1 ZINC000725243303 570255188 /nfs/dbraw/zinc/25/51/88/570255188.db2.gz VWONNVKYXLKGDO-UHFFFAOYSA-N 0 0 291.704 3.785 10 0 CHAERN CCc1cc2nc([C@@H](C)CC)nn2c(Br)c1 ZINC000725248194 570256186 /nfs/dbraw/zinc/25/61/86/570256186.db2.gz NIVNXENPGAWKIV-QMMMGPOBSA-N 0 0 282.185 3.568 10 0 CHAERN CCC(CC)c1nc2cc(C)cc(Br)n2n1 ZINC000725248205 570255992 /nfs/dbraw/zinc/25/59/92/570255992.db2.gz NSWGYOBJGIOLKG-UHFFFAOYSA-N 0 0 282.185 3.704 10 0 CHAERN CCc1cc2nc([C@H](C)CC)nn2c(Br)c1 ZINC000725248193 570256127 /nfs/dbraw/zinc/25/61/27/570256127.db2.gz NIVNXENPGAWKIV-MRVPVSSYSA-N 0 0 282.185 3.568 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@H]2C(=O)C3(CCCC3)[C@H]21 ZINC000669384656 570352878 /nfs/dbraw/zinc/35/28/78/570352878.db2.gz ZIBVGWDPPSLZNT-OLZOCXBDSA-N 0 0 293.407 3.535 10 0 CHAERN CCOC(=O)c1sc(Br)cc1C1CCC1 ZINC000675058280 570365369 /nfs/dbraw/zinc/36/53/69/570365369.db2.gz YTWMFKVCFULQDM-UHFFFAOYSA-N 0 0 289.194 3.955 10 0 CHAERN CC1CCC(O)(c2cccc(Br)c2)CC1 ZINC000675059247 570365378 /nfs/dbraw/zinc/36/53/78/570365378.db2.gz MJSALSBYOYNRGA-UHFFFAOYSA-N 0 0 269.182 3.847 10 0 CHAERN CCOC(=O)c1sc(Br)cc1C(C)(C)C ZINC000675058237 570365399 /nfs/dbraw/zinc/36/53/99/570365399.db2.gz XMJWIPDKDHCIPJ-UHFFFAOYSA-N 0 0 291.210 3.985 10 0 CHAERN CCC[C@H](C)c1nn2c(c1Br)NC[C@H](C)C2 ZINC000233342354 570411339 /nfs/dbraw/zinc/41/13/39/570411339.db2.gz GAZYBIWFDYJECE-IUCAKERBSA-N 0 0 286.217 3.611 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406028103 570411606 /nfs/dbraw/zinc/41/16/06/570411606.db2.gz SGWOOIREPZIBLS-MELADBBJSA-N 0 0 291.391 3.553 10 0 CHAERN CC(C)CCCC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406031971 570411822 /nfs/dbraw/zinc/41/18/22/570411822.db2.gz VYVNGHFMQBURHZ-CQSZACIVSA-N 0 0 291.391 3.697 10 0 CHAERN CCC[C@H](C)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406029461 570411856 /nfs/dbraw/zinc/41/18/56/570411856.db2.gz UEJDPDMRUOXKGD-UONOGXRCSA-N 0 0 291.391 3.697 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O ZINC000006067695 574412714 /nfs/dbraw/zinc/41/27/14/574412714.db2.gz UOUIARGWRPHDBX-CQZDKXCPSA-N 0 0 276.420 3.569 10 0 endogenous,in-man CHAERN C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711624380 977557479 /nfs/dbraw/zinc/55/74/79/977557479.db2.gz NPPHWRIFPPNGKJ-XFJVYGCCSA-N 0 0 293.794 3.730 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2cccc(F)c2)cs1 ZINC000189767251 1126935421 /nfs/dbraw/zinc/93/54/21/1126935421.db2.gz NSGVLPMGHHPLTQ-HNNXBMFYSA-N 0 0 276.380 3.928 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCC12CCCCC2 ZINC000372962399 1127818784 /nfs/dbraw/zinc/81/87/84/1127818784.db2.gz BALOFHHTSCAYPV-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN O=C(c1cccc(F)c1F)N1CCC12CCCCC2 ZINC000373008220 1127820313 /nfs/dbraw/zinc/82/03/13/1127820313.db2.gz MFVFTXNRYWBKGQ-UHFFFAOYSA-N 0 0 265.303 3.514 10 0 CHAERN Cc1nc(CN(C)[C@@H](C)c2cccnc2)nc2ccccc12 ZINC000101918642 1118161759 /nfs/dbraw/zinc/16/17/59/1118161759.db2.gz LJGUDPWMJOMYOW-AWEZNQCLSA-N 0 0 292.386 3.526 10 0 CHAERN Cc1ccc(CN(C)[C@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000102773391 1118209044 /nfs/dbraw/zinc/20/90/44/1118209044.db2.gz VCGUADNXXSMRDY-LLVKDONJSA-N 0 0 293.436 3.930 10 0 CHAERN CCOC(=O)c1c(C)nc(-c2ccco2)cc1C(F)F ZINC000409426581 1118544341 /nfs/dbraw/zinc/54/43/41/1118544341.db2.gz FQIBYIZIKWRXRX-UHFFFAOYSA-N 0 0 281.258 3.764 10 0 CHAERN Cc1cc(C(C)(C)C)ccc1OC(=O)/C=C\c1ccncn1 ZINC000588435525 1118732004 /nfs/dbraw/zinc/73/20/04/1118732004.db2.gz AJBMHADUVAUWSV-VURMDHGXSA-N 0 0 296.370 3.701 10 0 CHAERN C/C(=C\c1ccc(F)cc1)C(=O)OCCC[C@H]1CCCO1 ZINC000588448937 1118788942 /nfs/dbraw/zinc/78/89/42/1118788942.db2.gz GIYMWNUYMNYWQU-CJTWTEFWSA-N 0 0 292.350 3.731 10 0 CHAERN C/C(=C/C(=O)OCCC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000588449113 1118788952 /nfs/dbraw/zinc/78/89/52/1118788952.db2.gz ZAZXFWHBXPCDLH-KVNDZABWSA-N 0 0 292.350 3.731 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(C(C)C)C1CCCCC1 ZINC000588452483 1118798539 /nfs/dbraw/zinc/79/85/39/1118798539.db2.gz LPLPRGLIAJELEP-QXMHVHEDSA-N 0 0 286.419 3.973 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)OCc1cncs1 ZINC000588458057 1118820772 /nfs/dbraw/zinc/82/07/72/1118820772.db2.gz KANGCWNGELQGRH-WAYWQWQTSA-N 0 0 279.748 3.553 10 0 CHAERN O[C@@H]1CCOc2c(NC/C=C\c3ccccc3)cccc21 ZINC000588471329 1118893415 /nfs/dbraw/zinc/89/34/15/1118893415.db2.gz SOBYRTGIBDXZCS-CTEOGUNLSA-N 0 0 281.355 3.628 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000588496090 1118992376 /nfs/dbraw/zinc/99/23/76/1118992376.db2.gz XSNCXJCVVUXXDR-UCQJPZFISA-N 0 0 289.375 3.585 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N(CCc1nccs1)C(C)C ZINC000588499191 1119004566 /nfs/dbraw/zinc/00/45/66/1119004566.db2.gz VANMXPSCVKZXNS-QBFSEMIESA-N 0 0 294.464 3.915 10 0 CHAERN C[C@H](CCCC(F)(F)F)OC(=O)/C=C\c1cccnc1 ZINC000588510127 1119043817 /nfs/dbraw/zinc/04/38/17/1119043817.db2.gz OEYHGUQJCPVIMK-JMEBYUIHSA-N 0 0 287.281 3.759 10 0 CHAERN C[C@@H](CCCC(F)(F)F)OC(=O)/C=C\c1ccco1 ZINC000588510111 1119043870 /nfs/dbraw/zinc/04/38/70/1119043870.db2.gz GLUDKCBNMRSUHP-GFVADAIESA-N 0 0 276.254 3.957 10 0 CHAERN CC1(COC(=O)CC/C=C\c2ccccc2)CCOCC1 ZINC000588510430 1119046495 /nfs/dbraw/zinc/04/64/95/1119046495.db2.gz MJIDJGZKJQIIEV-UITAMQMPSA-N 0 0 288.387 3.840 10 0 CHAERN C/C=C(/CC)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000588568257 1119315956 /nfs/dbraw/zinc/31/59/56/1119315956.db2.gz YNKQCDBYUCPFOM-CQPUUCJISA-N 0 0 280.371 3.721 10 0 CHAERN Cc1cc(-n2cccn2)ccc1NC(=O)/C=C\C(C)(C)C ZINC000588569852 1119319562 /nfs/dbraw/zinc/31/95/62/1119319562.db2.gz NRGCEPQSMHRLOT-HJWRWDBZSA-N 0 0 283.375 3.722 10 0 CHAERN C/C=C(/CC)C(=O)O[C@H](c1ncccn1)C1CCCC1 ZINC000588570169 1119321143 /nfs/dbraw/zinc/32/11/43/1119321143.db2.gz DHQQCTUAMBJSGR-DXCZGNEWSA-N 0 0 274.364 3.607 10 0 CHAERN C/C=C(/CC)C(=O)Nc1scc(C)c1C(=O)OCC ZINC000588571161 1119325838 /nfs/dbraw/zinc/32/58/38/1119325838.db2.gz UJDLPQHDCBELSF-YHYXMXQVSA-N 0 0 281.377 3.528 10 0 CHAERN Cn1c(/C(Cl)=C\c2cocn2)nc2cc(Cl)ccc21 ZINC000588579324 1119378961 /nfs/dbraw/zinc/37/89/61/1119378961.db2.gz MWRLQDQFYBSXBA-BJMVGYQFSA-N 0 0 294.141 3.952 10 0 CHAERN Cc1ccc(OCC(=O)Nc2ccccc2C(C)C)cn1 ZINC000101541093 1119655474 /nfs/dbraw/zinc/65/54/74/1119655474.db2.gz SCOIOMUYHWIJDF-UHFFFAOYSA-N 0 0 284.359 3.531 10 0 CHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC12CCCCC2 ZINC000376423608 1119982505 /nfs/dbraw/zinc/98/25/05/1119982505.db2.gz COTJTCZPBZVLHO-UHFFFAOYSA-N 0 0 299.201 3.937 10 0 CHAERN Cc1ncc(-c2nc(C3C[C@H](C)C[C@@H](C)C3)no2)c(C)n1 ZINC000273974894 1120671133 /nfs/dbraw/zinc/67/11/33/1120671133.db2.gz KOFFZQMYLLVIMD-NXEZZACHSA-N 0 0 286.379 3.683 10 0 CHAERN C[C@H]1C[C@H](c2noc(-c3ccncc3)n2)C[C@@H](C)C1 ZINC000408224402 1120947307 /nfs/dbraw/zinc/94/73/07/1120947307.db2.gz HEGHSENXXVMKGN-PJXYFTJBSA-N 0 0 257.337 3.671 10 0 CHAERN CCC[C@H](OC(=O)c1ncoc1C)c1ccccc1 ZINC000105765477 1123070239 /nfs/dbraw/zinc/07/02/39/1123070239.db2.gz LGYUXOJWQXBERI-ZDUSSCGKSA-N 0 0 259.305 3.681 10 0 CHAERN CC(C)(C)c1noc(C2(c3cccnc3)CCCC2)n1 ZINC000329435710 1123611474 /nfs/dbraw/zinc/61/14/74/1123611474.db2.gz LPUOLHVVOUTXIQ-UHFFFAOYSA-N 0 0 271.364 3.622 10 0 CHAERN CC1(C)C[C@H]1c1noc(-c2ccnn2C2CCCC2)n1 ZINC000329576536 1123626231 /nfs/dbraw/zinc/62/62/31/1123626231.db2.gz OIKMYHIOAYKVKX-NSHDSACASA-N 0 0 272.352 3.562 10 0 CHAERN CC[C@@H]1CC[C@H](c2nc(CO[C@H]3CCCC[C@@H]3C)no2)O1 ZINC000329703580 1123648240 /nfs/dbraw/zinc/64/82/40/1123648240.db2.gz IKESLIRMOFYETK-RFQIPJPRSA-N 0 0 294.395 3.795 10 0 CHAERN Cc1cc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)no1 ZINC000191681179 1125326997 /nfs/dbraw/zinc/32/69/97/1125326997.db2.gz ZSPMRGALHBNEOW-GFCCVEGCSA-N 0 0 292.329 3.641 10 0 CHAERN CC[C@@H](CC(=O)N(C)Cc1ccc(C)o1)C(C)C ZINC000104203540 1125383225 /nfs/dbraw/zinc/38/32/25/1125383225.db2.gz WUNFXNWTKXKWBB-ZDUSSCGKSA-N 0 0 251.370 3.619 10 0 CHAERN C[C@@H](SCC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000105633759 1125436149 /nfs/dbraw/zinc/43/61/49/1125436149.db2.gz IGBOHKOHWZQQRI-SECBINFHSA-N 0 0 287.375 3.674 10 0 CHAERN C[C@H](SCC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000105633710 1125436845 /nfs/dbraw/zinc/43/68/45/1125436845.db2.gz WZZRHCGCSQZMKH-VIFPVBQESA-N 0 0 287.375 3.674 10 0 CHAERN CCC[C@H](OC(=O)[C@@H](C)SC)c1ccccc1 ZINC000103337070 1129745666 /nfs/dbraw/zinc/74/56/66/1129745666.db2.gz HCCPXDBOPWRTEJ-YPMHNXCESA-N 0 0 252.379 3.823 10 0 CHAERN CC(=O)c1sc(CSc2ccccc2)nc1C ZINC000082420177 177991584 /nfs/dbraw/zinc/99/15/84/177991584.db2.gz YFIWEUINLZKLOR-UHFFFAOYSA-N 0 0 263.387 3.946 10 0 CHAERN CC(C)(C)Oc1cncc(OC2CC2)c1Br ZINC000095726250 185021769 /nfs/dbraw/zinc/02/17/69/185021769.db2.gz WQNMAQNSWDBNAL-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN COc1ccc([C@@H](C)Nc2nc(Cl)ncc2C)cc1 ZINC000082501472 178066070 /nfs/dbraw/zinc/06/60/70/178066070.db2.gz SELOOVZZSKQIIZ-SNVBAGLBSA-N 0 0 277.755 3.620 10 0 CHAERN CCc1nc(Cl)cc(N[C@H]2CCCC[C@@H]2C)n1 ZINC000082509501 178075855 /nfs/dbraw/zinc/07/58/55/178075855.db2.gz QQZRTMQKLKHIRK-UWVGGRQHSA-N 0 0 253.777 3.683 10 0 CHAERN Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1N ZINC000082522184 178088057 /nfs/dbraw/zinc/08/80/57/178088057.db2.gz BCCPSFPRWWGYBQ-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN Fc1ccc(-c2nccs2)cc1Br ZINC000082567750 178098742 /nfs/dbraw/zinc/09/87/42/178098742.db2.gz BSROVDLKDZIWNE-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN OCc1ccc(C(F)(F)F)cc1OCc1ccccc1 ZINC000095830244 185029078 /nfs/dbraw/zinc/02/90/78/185029078.db2.gz ZVGZOXDGFODMRU-UHFFFAOYSA-N 0 0 282.261 3.777 10 0 CHAERN O=C(NCCCSC(F)(F)F)OCc1ccccc1 ZINC000095918482 185030925 /nfs/dbraw/zinc/03/09/25/185030925.db2.gz PFNKMIFPLQMZKL-UHFFFAOYSA-N 0 0 293.310 3.556 10 0 CHAERN FC(F)(F)c1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000095930015 185031481 /nfs/dbraw/zinc/03/14/81/185031481.db2.gz WQEZYWRLVZTULQ-UHFFFAOYSA-N 0 0 256.252 3.825 10 0 CHAERN CC(C)(C)OC(=O)Cc1nc(Cl)ccc1C(F)(F)F ZINC000095933511 185033475 /nfs/dbraw/zinc/03/34/75/185033475.db2.gz QLWFYWDXPXZKKB-UHFFFAOYSA-N 0 0 295.688 3.638 10 0 CHAERN Clc1cnc2[nH]c(C3CC3)cc2c1Br ZINC000095936953 185034620 /nfs/dbraw/zinc/03/46/20/185034620.db2.gz PZRVYXLSWQYAQS-UHFFFAOYSA-N 0 0 271.545 3.856 10 0 CHAERN Cc1ccc(C)c(NC(=O)C(C)(C)c2ccc(N)cc2)c1 ZINC000082698334 178198081 /nfs/dbraw/zinc/19/80/81/178198081.db2.gz CBHCJPRKKREPCY-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN CCc1ccccc1NC(=O)c1ccc2nc(N)sc2c1 ZINC000082698324 178198143 /nfs/dbraw/zinc/19/81/43/178198143.db2.gz OHHVSRQVOFBBPK-UHFFFAOYSA-N 0 0 297.383 3.693 10 0 CHAERN O=Cc1sc(Oc2ccc(F)cc2)nc1Cl ZINC000082699319 178200908 /nfs/dbraw/zinc/20/09/08/178200908.db2.gz ISCXOIGOSMHMSK-UHFFFAOYSA-N 0 0 257.673 3.540 10 0 CHAERN Cc1cc(Cl)c2c(Br)ccc(O)c2n1 ZINC000082788775 178294247 /nfs/dbraw/zinc/29/42/47/178294247.db2.gz OXELKEGRWSYMPY-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN CCOc1ccc2nc(NCC(C)C)sc2c1 ZINC000083383719 178386942 /nfs/dbraw/zinc/38/69/42/178386942.db2.gz RZLBBBTWRPWDMV-UHFFFAOYSA-N 0 0 250.367 3.763 10 0 CHAERN Cc1ccc(F)cc1CNc1cccnc1Cl ZINC000083384033 178388390 /nfs/dbraw/zinc/38/83/90/178388390.db2.gz XTDJRFKULICHCC-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN OCc1ncc(-c2c(Cl)cccc2Cl)s1 ZINC000083250364 178368401 /nfs/dbraw/zinc/36/84/01/178368401.db2.gz BITYPEXUIXSDJG-UHFFFAOYSA-N 0 0 260.145 3.609 10 0 CHAERN O=Cc1sc(Sc2cccs2)nc1Cl ZINC000083250722 178368810 /nfs/dbraw/zinc/36/88/10/178368810.db2.gz NEMUQTGNEVPXHL-UHFFFAOYSA-N 0 0 261.780 3.822 10 0 CHAERN CC(C)CC(=O)c1cc(Br)ccc1F ZINC000083256129 178371740 /nfs/dbraw/zinc/37/17/40/178371740.db2.gz JJQXSWZHSKSGGI-UHFFFAOYSA-N 0 0 259.118 3.817 10 0 CHAERN Cc1cc2cc(Br)ccc2c(Cl)n1 ZINC000125297203 187178581 /nfs/dbraw/zinc/17/85/81/187178581.db2.gz WEWNGVFNLLWKAX-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN O=Cc1cncc(-c2ccc(Cl)cc2Cl)c1 ZINC000096960055 185142731 /nfs/dbraw/zinc/14/27/31/185142731.db2.gz OEEMCURRWNAKCD-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN O=Cc1cccnc1-c1cccc(C(F)(F)F)c1 ZINC000096960484 185142737 /nfs/dbraw/zinc/14/27/37/185142737.db2.gz WAIZVXFWKGPJGT-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN CCc1c(Cl)nc(C)nc1NCc1nc(C)sc1C ZINC000301821466 529492538 /nfs/dbraw/zinc/49/25/38/529492538.db2.gz BLSGWTVPNGBRII-UHFFFAOYSA-N 0 0 296.827 3.686 10 0 CHAERN COCc1cc(Br)ccc1N1CCC[C@H]1C ZINC000097757716 185662382 /nfs/dbraw/zinc/66/23/82/185662382.db2.gz KHWUKZFCPVXGRP-SNVBAGLBSA-N 0 0 284.197 3.584 10 0 CHAERN C[C@H](O)c1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000109577950 136529971 /nfs/dbraw/zinc/52/99/71/136529971.db2.gz SWGKNCIWWGXBOM-MNOVXSKESA-N 0 0 253.773 3.630 10 0 CHAERN CCCc1nc(-c2ccccc2Cl)c(N)n1CC ZINC000103500961 185846065 /nfs/dbraw/zinc/84/60/65/185846065.db2.gz XPLVEQBAIPRMEZ-UHFFFAOYSA-N 0 0 263.772 3.758 10 0 CHAERN CCC1CCC(n2c(Cl)nnc2C2CC2)CC1 ZINC000103927231 185863341 /nfs/dbraw/zinc/86/33/41/185863341.db2.gz XSGDALDIOITYBG-UHFFFAOYSA-N 0 0 253.777 3.950 10 0 CHAERN CC(C)C[C@@H](N)c1nc2cc(Br)ccc2o1 ZINC000087049412 179388794 /nfs/dbraw/zinc/38/87/94/179388794.db2.gz FPELSUGBQRPMMQ-SECBINFHSA-N 0 0 283.169 3.636 10 0 CHAERN CCOc1cc(Oc2cccc(F)c2F)ccc1N ZINC000104253756 185945223 /nfs/dbraw/zinc/94/52/23/185945223.db2.gz CBSRMJGWTMSQHL-UHFFFAOYSA-N 0 0 265.259 3.738 10 0 CHAERN OCc1c(Sc2ccccc2Cl)nc2sccn21 ZINC000104293502 185957892 /nfs/dbraw/zinc/95/78/92/185957892.db2.gz CWIWVCVBZLEFSS-UHFFFAOYSA-N 0 0 296.804 3.693 10 0 CHAERN OCc1ccc(Sc2ccc3c(c2)CCC3)cc1 ZINC000104285230 185955126 /nfs/dbraw/zinc/95/51/26/185955126.db2.gz OXCOKYZOGUKLFI-UHFFFAOYSA-N 0 0 256.370 3.819 10 0 CHAERN CSc1ccccc1NC(=O)c1c(N)cccc1Cl ZINC000104331763 185972394 /nfs/dbraw/zinc/97/23/94/185972394.db2.gz TYKVDDXAYYURRX-UHFFFAOYSA-N 0 0 292.791 3.896 10 0 CHAERN CCCC[C@@H]1COC2(CC(COCc3ccccc3)C2)O1 ZINC000090429131 179985726 /nfs/dbraw/zinc/98/57/26/179985726.db2.gz JJTOJECPCIXWOM-LXPRWKDFSA-N 0 0 290.403 3.915 10 0 CHAERN C[C@H](NC(=O)C[C@H](C)C(C)(C)C)c1ccccc1N ZINC000104432696 186000254 /nfs/dbraw/zinc/00/02/54/186000254.db2.gz LFLOZCRAACXMLZ-RYUDHWBXSA-N 0 0 262.397 3.518 10 0 CHAERN COc1cccc(C[C@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104434238 186000361 /nfs/dbraw/zinc/00/03/61/186000361.db2.gz XJGKTLLJSNVMCJ-TZMCWYRMSA-N 0 0 250.382 3.671 10 0 CHAERN COc1cccc2occ(/C=C/c3ccccc3)c(=O)c12 ZINC000090554939 180003464 /nfs/dbraw/zinc/00/34/64/180003464.db2.gz RPFVHEPBPRHQRQ-ZHACJKMWSA-N 0 0 278.307 3.972 10 0 CHAERN CCC(CC)[C@H](C)NC(=O)c1cc(C)ccc1F ZINC000104439601 186002244 /nfs/dbraw/zinc/00/22/44/186002244.db2.gz LFYKDUBIUYGHBB-NSHDSACASA-N 0 0 251.345 3.689 10 0 CHAERN CC(=O)Nc1ccc(-c2csc3ccnc(N)c32)cc1 ZINC000090759703 180036783 /nfs/dbraw/zinc/03/67/83/180036783.db2.gz GRKHRJVDQHKPHF-UHFFFAOYSA-N 0 0 283.356 3.504 10 0 CHAERN FC1(F)Oc2ccccc2O[C@@H]1C1=CC=CCC1 ZINC000091252124 180114141 /nfs/dbraw/zinc/11/41/41/180114141.db2.gz WRYDVXMLHRMVFV-CYBMUJFWSA-N 0 0 250.244 3.696 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(C)c1N ZINC000109893666 186278897 /nfs/dbraw/zinc/27/88/97/186278897.db2.gz KGDYLCCAUARDFW-OCCSQVGLSA-N 0 0 261.365 3.703 10 0 CHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1C[C@H]1c1ccco1 ZINC000121874815 187001884 /nfs/dbraw/zinc/00/18/84/187001884.db2.gz BEWPNHBMEVWLJM-KGLIPLIRSA-N 0 0 294.310 3.677 10 0 CHAERN COc1cc2nc(Cl)nc(Cl)c2c(Cl)c1OC ZINC000261509082 190040664 /nfs/dbraw/zinc/04/06/64/190040664.db2.gz ZRBRRHBDBWUEDO-UHFFFAOYSA-N 0 0 293.537 3.607 10 0 CHAERN COc1c(C)cccc1C(=O)NC1CCCCCCC1 ZINC000000244168 169585080 /nfs/dbraw/zinc/58/50/80/169585080.db2.gz BXLOQNGJLDJCRO-UHFFFAOYSA-N 0 0 275.392 3.846 10 0 CHAERN COc1cccc(COc2cc(Cl)ccc2N)c1 ZINC000033425117 184537393 /nfs/dbraw/zinc/53/73/93/184537393.db2.gz GRGPHAFZNIXRLT-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Clc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 ZINC000085224096 184606560 /nfs/dbraw/zinc/60/65/60/184606560.db2.gz FBEYVYDAVBOFOJ-UHFFFAOYSA-N 0 0 264.115 3.932 10 0 CHAERN Cc1cc(C2(O)CCCCC2)ccc1Br ZINC000521402064 256845343 /nfs/dbraw/zinc/84/53/43/256845343.db2.gz YFMKNCIZAFTPFZ-UHFFFAOYSA-N 0 0 269.182 3.909 10 0 CHAERN Cc1cc(Br)ccc1C1(O)CCCCC1 ZINC000521402024 256845381 /nfs/dbraw/zinc/84/53/81/256845381.db2.gz XLIWHZRZYQKUQG-UHFFFAOYSA-N 0 0 269.182 3.909 10 0 CHAERN C[C@@H]1CCCC[C@]1(O)c1ccccc1Br ZINC000521402100 256845429 /nfs/dbraw/zinc/84/54/29/256845429.db2.gz YKCOSZVRPACSNL-ZWNOBZJWSA-N 0 0 269.182 3.847 10 0 CHAERN Cc1cc(F)ccc1N[C@H](C)C(=O)Nc1ccccc1 ZINC000020301509 171138765 /nfs/dbraw/zinc/13/87/65/171138765.db2.gz JGMXFSKJPNGGAH-GFCCVEGCSA-N 0 0 272.323 3.573 10 0 CHAERN COc1ccccc1-c1ccc2c(N)c(C(C)=O)sc2n1 ZINC000095080898 184937595 /nfs/dbraw/zinc/93/75/95/184937595.db2.gz LBOREDOXZXQTPU-UHFFFAOYSA-N 0 0 298.367 3.757 10 0 CHAERN CCc1cccc(CC)c1NC(=O)N1CCS[C@@H](C)C1 ZINC000171359271 335063316 /nfs/dbraw/zinc/06/33/16/335063316.db2.gz JJLRAQIAHCVCOH-LBPRGKRZSA-N 0 0 292.448 3.781 10 0 CHAERN Clc1cc(Br)ccc1-n1cccc1 ZINC000001519685 169711570 /nfs/dbraw/zinc/71/15/70/169711570.db2.gz JWEIEJHHJMCSRJ-UHFFFAOYSA-N 0 0 256.530 3.893 10 0 CHAERN COC(COc1cc(Cl)c(Cl)cc1Cl)OC ZINC000001604680 169724067 /nfs/dbraw/zinc/72/40/67/169724067.db2.gz YXVNIVRZLIHVAT-UHFFFAOYSA-N 0 0 285.554 3.645 10 0 CHAERN C[C@@H]1c2ccsc2CCN1c1ccc(N)cc1F ZINC000042740458 134896556 /nfs/dbraw/zinc/89/65/56/134896556.db2.gz QJSXCVXAFOXXJL-SECBINFHSA-N 0 0 262.353 3.593 10 0 CHAERN c1ccc(Nc2nn3c(nnc3-c3ccccc3)s2)cc1 ZINC000003137643 169859851 /nfs/dbraw/zinc/85/98/51/169859851.db2.gz QPGCYLVIRPFQEO-UHFFFAOYSA-N 0 0 293.355 3.596 10 0 CHAERN O=C1CS[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000003196819 169867495 /nfs/dbraw/zinc/86/74/95/169867495.db2.gz UMUNAAWMXCZUDM-AWEZNQCLSA-N 0 0 293.775 3.707 10 0 CHAERN CCCCNC(=O)c1cc2cc3cc(OC)ccc3nc2o1 ZINC000004907407 170040133 /nfs/dbraw/zinc/04/01/33/170040133.db2.gz VVNQUKZJMXUMAU-UHFFFAOYSA-N 0 0 298.342 3.520 10 0 CHAERN c1c[nH]c([C@H]2CC2(c2ccccc2)c2ccccc2)n1 ZINC000005117341 170067896 /nfs/dbraw/zinc/06/78/96/170067896.db2.gz YHOXISQVIBOZGS-MRXNPFEDSA-N 0 0 260.340 3.883 10 0 CHAERN CC(=O)Oc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000005379029 170091553 /nfs/dbraw/zinc/09/15/53/170091553.db2.gz RCWCOWODWAKYCH-UHFFFAOYSA-N 0 0 289.718 3.518 10 0 CHAERN CC(C)[C@H](C)CC(C)(C)n1nnc(-c2ccccc2)n1 ZINC000005384602 170092842 /nfs/dbraw/zinc/09/28/42/170092842.db2.gz GUXXXIGTJJROBC-CYBMUJFWSA-N 0 0 272.396 3.757 10 0 CHAERN CCCCN(CCCC)C(=O)C(Cl)(Cl)Cl ZINC000005503387 170104969 /nfs/dbraw/zinc/10/49/69/170104969.db2.gz XAPJKGWLPPCTDF-UHFFFAOYSA-N 0 0 274.619 3.785 10 0 CHAERN Cc1cc(C)cc(OCc2ccc(C(N)=S)cc2)c1 ZINC000005592545 170117213 /nfs/dbraw/zinc/11/72/13/170117213.db2.gz WGUXATKZSZVHBK-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN CCCOC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000005708050 170131700 /nfs/dbraw/zinc/13/17/00/170131700.db2.gz TZCRVCDEALZMOY-UHFFFAOYSA-N 0 0 257.717 3.616 10 0 CHAERN CCCCOc1ccccc1NC(=O)OCCC ZINC000005707861 170131845 /nfs/dbraw/zinc/13/18/45/170131845.db2.gz NLGTUTKCKQMSFA-UHFFFAOYSA-N 0 0 251.326 3.824 10 0 CHAERN Cc1ccnc(NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000005936244 170158184 /nfs/dbraw/zinc/15/81/84/170158184.db2.gz UUPCCTZQEMCLAE-AATRIKPKSA-N 0 0 272.735 3.695 10 0 CHAERN CCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000006043280 170171287 /nfs/dbraw/zinc/17/12/87/170171287.db2.gz HFICIPCZFYUNPF-GQCTYLIASA-N 0 0 258.148 3.533 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43CO)[C@@H]1CCC2=O ZINC000006067853 170173810 /nfs/dbraw/zinc/17/38/10/170173810.db2.gz UGCIHWZOIVCJGP-BGJMDTOESA-N 0 0 288.431 3.881 10 0 CHAERN Cc1cc(Cl)ccc1NC1N=NC(=S)S1 ZINC000006281247 170188359 /nfs/dbraw/zinc/18/83/59/170188359.db2.gz GMHOELRIXWYSBA-UHFFFAOYSA-N 0 0 257.771 3.532 10 0 CHAERN S=c1[nH]c2ccccc2n1CCCOc1ccccc1 ZINC000006399881 170198307 /nfs/dbraw/zinc/19/83/07/170198307.db2.gz NWHPWRCFRLZZNG-UHFFFAOYSA-N 0 0 284.384 3.794 10 0 CHAERN CC(C)Nc1nc(Cc2ccc(Cl)cc2)ns1 ZINC000006740782 170236774 /nfs/dbraw/zinc/23/67/74/170236774.db2.gz VWUXLDCYLTWHBI-UHFFFAOYSA-N 0 0 267.785 3.603 10 0 CHAERN CC(=O)c1cccc(NC(=O)c2ccnc(C(C)(C)C)c2)c1 ZINC000006857253 170250206 /nfs/dbraw/zinc/25/02/06/170250206.db2.gz AJRKTWLFODOSIC-UHFFFAOYSA-N 0 0 296.370 3.834 10 0 CHAERN CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cn2)ccn1 ZINC000006882967 170252646 /nfs/dbraw/zinc/25/26/46/170252646.db2.gz WECYBJFZSGOWFZ-UHFFFAOYSA-N 0 0 289.766 3.680 10 0 CHAERN CCCN(CCC)C(=O)c1cc2cc(F)ccc2nc1C ZINC000007262236 170274302 /nfs/dbraw/zinc/27/43/02/170274302.db2.gz MXHOIPPKQITINT-UHFFFAOYSA-N 0 0 288.366 3.945 10 0 CHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=S)NC1CCCCC1 ZINC000007526461 170289390 /nfs/dbraw/zinc/28/93/90/170289390.db2.gz LVKHMMZDBSBQRM-SCRDCRAPSA-N 0 0 268.470 3.608 10 0 CHAERN CCCOc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000007668780 170296814 /nfs/dbraw/zinc/29/68/14/170296814.db2.gz SDZSCRPFPOINPJ-UHFFFAOYSA-N 0 0 275.392 3.928 10 0 CHAERN O=C(/C=C/c1ccc(F)c(Cl)c1)NC1CCCC1 ZINC000008081684 170318408 /nfs/dbraw/zinc/31/84/08/170318408.db2.gz NNKWYNFZNRNSKT-SOFGYWHQSA-N 0 0 267.731 3.551 10 0 CHAERN O=C(/C=C/c1ccccc1Br)NC1CCCC1 ZINC000008081697 170318452 /nfs/dbraw/zinc/31/84/52/170318452.db2.gz PIDBQQXIAAYXLM-MDZDMXLPSA-N 0 0 294.192 3.521 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@H](C)c2ccccc2)c1 ZINC000008181795 170323224 /nfs/dbraw/zinc/32/32/24/170323224.db2.gz WAVCEJUXKQZDTG-AYJWMTRPSA-N 0 0 265.356 3.886 10 0 CHAERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000008277127 170328380 /nfs/dbraw/zinc/32/83/80/170328380.db2.gz UOQSWQOQLXOHPI-FMUZQAFBSA-N 0 0 261.340 3.534 10 0 CHAERN Cc1ccc(OCc2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000008550303 170339860 /nfs/dbraw/zinc/33/98/60/170339860.db2.gz OXABCNVIXWEEDD-UHFFFAOYSA-N 0 0 279.343 3.668 10 0 CHAERN Cc1nn(C(=O)c2ccc(OCC(C)C)cc2)c(C)c1C ZINC000010155632 170399087 /nfs/dbraw/zinc/39/90/87/170399087.db2.gz AUKYIDFQAKHRCH-UHFFFAOYSA-N 0 0 286.375 3.532 10 0 CHAERN Cc1cccc(C(C)C)c1NC(=O)c1ccccc1N ZINC000010169298 170399551 /nfs/dbraw/zinc/39/95/51/170399551.db2.gz HJYDGMCEOYIIMH-UHFFFAOYSA-N 0 0 268.360 3.953 10 0 CHAERN OC[C@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000011734405 170436519 /nfs/dbraw/zinc/43/65/19/170436519.db2.gz UGFUDZPDSVGJHK-ZDUSSCGKSA-N 0 0 264.727 3.798 10 0 CHAERN Cc1ccc(NC(=O)/C=C/c2cccc(C)c2)cc1 ZINC000014426872 170633878 /nfs/dbraw/zinc/63/38/78/170633878.db2.gz SNKNQYATJDCAQD-DHZHZOJOSA-N 0 0 251.329 3.955 10 0 CHAERN CCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000014452751 170634520 /nfs/dbraw/zinc/63/45/20/170634520.db2.gz KEPIEKIQUNUTHT-UHFFFAOYSA-N 0 0 266.296 3.859 10 0 CHAERN C[C@@H]1C[C@H](C)CN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000019402154 170785275 /nfs/dbraw/zinc/78/52/75/170785275.db2.gz YDEMDZQCYYXZRP-DTORHVGOSA-N 0 0 287.190 3.507 10 0 CHAERN Cc1ccc2nc(NC(=O)c3cccc(C)c3N)sc2c1 ZINC000019803633 170873100 /nfs/dbraw/zinc/87/31/00/170873100.db2.gz QOAIKWSYYQTJOF-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN Cc1cccc(C(=O)Nc2cc(Cl)ccc2C)c1N ZINC000019807998 170876624 /nfs/dbraw/zinc/87/66/24/170876624.db2.gz FIXIKSRPYLADRZ-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1cc(Cl)ccc1Sc1nc2ccccc2[nH]1 ZINC000019845571 170893828 /nfs/dbraw/zinc/89/38/28/170893828.db2.gz UYPYUHXKWVHWCU-UHFFFAOYSA-N 0 0 275.764 3.950 10 0 CHAERN CC[C@@H](C)SCCCC(=O)Nc1ccc(N)cc1OC ZINC000019869874 170901234 /nfs/dbraw/zinc/90/12/34/170901234.db2.gz ZNQZBDRNCSVBMR-LLVKDONJSA-N 0 0 296.436 3.528 10 0 CHAERN CCCc1ccc([C@@H](C)Nc2ccc(C(N)=O)cc2)cc1 ZINC000019911594 170922378 /nfs/dbraw/zinc/92/23/78/170922378.db2.gz PAIWEQUKIACNER-CYBMUJFWSA-N 0 0 282.387 3.911 10 0 CHAERN Oc1ccc(CNc2ccccc2OC(F)(F)F)cc1 ZINC000019913354 170923244 /nfs/dbraw/zinc/92/32/44/170923244.db2.gz LNNQNHDYEJJFOO-UHFFFAOYSA-N 0 0 283.249 3.903 10 0 CHAERN Cc1ccc(CN2c3ccccc3C[C@@H]2C)cc1N ZINC000020072832 170982748 /nfs/dbraw/zinc/98/27/48/170982748.db2.gz SSPIFCKCZQLHLS-ZDUSSCGKSA-N 0 0 252.361 3.528 10 0 CHAERN Cc1cc(CN2c3ccccc3C[C@H]2C)ccc1N ZINC000020072853 170983290 /nfs/dbraw/zinc/98/32/90/170983290.db2.gz YDDKQKYGCWKHEC-CYBMUJFWSA-N 0 0 252.361 3.528 10 0 CHAERN Cc1c(N)cccc1NC(=O)[C@@H](C)Sc1cccs1 ZINC000020078098 170985027 /nfs/dbraw/zinc/98/50/27/170985027.db2.gz XNPKMOUTJQQOCK-SNVBAGLBSA-N 0 0 292.429 3.758 10 0 CHAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccncc2)c(C)s1 ZINC000020121848 171001011 /nfs/dbraw/zinc/00/10/11/171001011.db2.gz KGYNSRWARFVZSW-VHSXEESVSA-N 0 0 261.394 3.567 10 0 CHAERN CC[C@H](Nc1cccc(C(=O)NC)c1)c1cccs1 ZINC000020124764 171007090 /nfs/dbraw/zinc/00/70/90/171007090.db2.gz KKEYBFXLKJNJFM-ZDUSSCGKSA-N 0 0 274.389 3.671 10 0 CHAERN CCC(=O)Nc1cccc(NCc2ccccc2)c1 ZINC000020132104 171020479 /nfs/dbraw/zinc/02/04/79/171020479.db2.gz OZFWKODXMKCBFW-UHFFFAOYSA-N 0 0 254.333 3.647 10 0 CHAERN Cc1nn(C)c(C)c1NCc1cccc(Cl)c1Cl ZINC000020135614 171023208 /nfs/dbraw/zinc/02/32/08/171023208.db2.gz OVPWZPJZKWVJDQ-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN COc1ccc2[nH]cc(CCNc3ccc(N)cc3F)c2c1 ZINC000020135667 171023318 /nfs/dbraw/zinc/02/33/18/171023318.db2.gz JQIOFFIGQJPCDT-UHFFFAOYSA-N 0 0 299.349 3.552 10 0 CHAERN C[C@H](NCc1ccncc1)c1ccccc1Br ZINC000020139894 171026641 /nfs/dbraw/zinc/02/66/41/171026641.db2.gz WHWSURYRFRSBAP-NSHDSACASA-N 0 0 291.192 3.695 10 0 CHAERN C[C@@H](NCc1c(F)cccc1F)c1cccc(F)c1 ZINC000020147776 171035335 /nfs/dbraw/zinc/03/53/35/171035335.db2.gz QNHKQWMAUBKSNE-SNVBAGLBSA-N 0 0 265.278 3.955 10 0 CHAERN Nc1cccc(CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000020186234 171050056 /nfs/dbraw/zinc/05/00/56/171050056.db2.gz QHKZCRFRVYANDK-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN CCN(CCc1ccccc1N)c1cccc(C)c1 ZINC000020191950 171058068 /nfs/dbraw/zinc/05/80/68/171058068.db2.gz RODIVUWGHGUJNA-UHFFFAOYSA-N 0 0 254.377 3.646 10 0 CHAERN CCN(C(=O)c1ccc(N)c(C)c1)c1cccc(C)c1 ZINC000020220842 171082106 /nfs/dbraw/zinc/08/21/06/171082106.db2.gz IIOGMJKBEOOXTB-UHFFFAOYSA-N 0 0 268.360 3.552 10 0 CHAERN Cc1nc(CSc2ccc(Cl)cc2N)cs1 ZINC000020254150 171107440 /nfs/dbraw/zinc/10/74/40/171107440.db2.gz APVCRDMUJDPIAX-UHFFFAOYSA-N 0 0 270.810 3.979 10 0 CHAERN Cc1cc(CSc2ccc(Cl)cc2N)on1 ZINC000020254165 171107583 /nfs/dbraw/zinc/10/75/83/171107583.db2.gz DOUCMPDZNHLVCE-UHFFFAOYSA-N 0 0 254.742 3.511 10 0 CHAERN CCN(C(=O)c1ccc(Cl)o1)c1cc(O)ccc1C ZINC000020258446 171114361 /nfs/dbraw/zinc/11/43/61/171114361.db2.gz DKFOJOJYERXTRC-UHFFFAOYSA-N 0 0 279.723 3.614 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000020344168 171153984 /nfs/dbraw/zinc/15/39/84/171153984.db2.gz MCXXGWSHHGGJRD-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN C[C@@H](Nc1cccc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000020359407 171158118 /nfs/dbraw/zinc/15/81/18/171158118.db2.gz DMNXPAYVBMSUDO-MRVPVSSYSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366596 171165293 /nfs/dbraw/zinc/16/52/93/171165293.db2.gz MSQMVBFTOYHVFS-BDAKNGLRSA-N 0 0 289.206 3.709 10 0 CHAERN CCC[C@@H](C)Nc1ccc(Br)cc1N ZINC000020382152 171173068 /nfs/dbraw/zinc/17/30/68/171173068.db2.gz QVAPNIBBSQNSCG-MRVPVSSYSA-N 0 0 257.175 3.632 10 0 CHAERN CCC[C@H](C)Nc1ccc(Br)cc1N ZINC000020382156 171173336 /nfs/dbraw/zinc/17/33/36/171173336.db2.gz QVAPNIBBSQNSCG-QMMMGPOBSA-N 0 0 257.175 3.632 10 0 CHAERN Nc1cccc(Cl)c1NCCc1cccs1 ZINC000020383867 171173895 /nfs/dbraw/zinc/17/38/95/171173895.db2.gz CNYPIKTYZRNMLM-UHFFFAOYSA-N 0 0 252.770 3.638 10 0 CHAERN Nc1cc(Br)ccc1NCc1ccc(F)cc1 ZINC000020383582 171174597 /nfs/dbraw/zinc/17/45/97/171174597.db2.gz KWPSNRZQSRBKGU-UHFFFAOYSA-N 0 0 295.155 3.783 10 0 CHAERN Cc1ccc(CNc2ccc(Br)cc2N)cc1 ZINC000020384131 171175431 /nfs/dbraw/zinc/17/54/31/171175431.db2.gz PDEJEVZTPXOMGB-UHFFFAOYSA-N 0 0 291.192 3.952 10 0 CHAERN Oc1ccc(Oc2ccccc2Br)cc1 ZINC000020391361 171179986 /nfs/dbraw/zinc/17/99/86/171179986.db2.gz LADNYENVXZMCBZ-UHFFFAOYSA-N 0 0 265.106 3.947 10 0 CHAERN CCNC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420187 171185582 /nfs/dbraw/zinc/18/55/82/171185582.db2.gz IZFGVDGJXDUMPC-LURJTMIESA-N 0 0 295.597 3.583 10 0 CHAERN Cc1ccc(Oc2cccc3sc(N)nc32)cc1 ZINC000020432689 171197470 /nfs/dbraw/zinc/19/74/70/171197470.db2.gz JWTXVDCVPFIGAN-UHFFFAOYSA-N 0 0 256.330 3.979 10 0 CHAERN OCc1ccc(Oc2ccccc2Cl)c(F)c1 ZINC000020435358 171201253 /nfs/dbraw/zinc/20/12/53/171201253.db2.gz RIAHTCWAKBOACH-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN CCCCN(CC)c1nc2ccccc2cc1C=O ZINC000020444554 171205707 /nfs/dbraw/zinc/20/57/07/171205707.db2.gz KNNJEPZJVCZTIR-UHFFFAOYSA-N 0 0 256.349 3.674 10 0 CHAERN Oc1cccc(CNc2cccc(Cl)c2F)c1 ZINC000020472194 171215343 /nfs/dbraw/zinc/21/53/43/171215343.db2.gz RQJBOAXNYJKHKT-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1ccc(CNc2cccc(Cl)c2F)cc1 ZINC000020472485 171215901 /nfs/dbraw/zinc/21/59/01/171215901.db2.gz IMCXEOCVTSRYFI-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN CC(C)[C@@H](CC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171565723 335070950 /nfs/dbraw/zinc/07/09/50/335070950.db2.gz GMRJYZMFAAQYML-GOEBONIOSA-N 0 0 291.460 3.780 10 0 CHAERN CCC[C@H](C)Nc1ccccc1I ZINC000020479833 171221503 /nfs/dbraw/zinc/22/15/03/171221503.db2.gz SHNQSNMFUHNMNK-VIFPVBQESA-N 0 0 289.160 3.892 10 0 CHAERN CCNC(=O)[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505298 171228296 /nfs/dbraw/zinc/22/82/96/171228296.db2.gz GIOHDTKUGQRPCF-LURJTMIESA-N 0 0 295.597 3.583 10 0 CHAERN CCC(C)(C)Oc1ccc(Br)cc1N ZINC000020507059 171228953 /nfs/dbraw/zinc/22/89/53/171228953.db2.gz NWJSOBBXUIEBMK-UHFFFAOYSA-N 0 0 258.159 3.599 10 0 CHAERN CCCCCC(=O)Nc1ccc(Br)cc1N ZINC000020520813 171233990 /nfs/dbraw/zinc/23/39/90/171233990.db2.gz YXABNEHDDLYJLF-UHFFFAOYSA-N 0 0 285.185 3.550 10 0 CHAERN CC(=O)c1nc(-c2ccccc2Br)oc1C ZINC000020525474 171238126 /nfs/dbraw/zinc/23/81/26/171238126.db2.gz GOSKZRILYXXRQB-UHFFFAOYSA-N 0 0 280.121 3.615 10 0 CHAERN Cc1c(Cl)cccc1N1C(=S)N=NC1C(C)C ZINC000020588997 171260319 /nfs/dbraw/zinc/26/03/19/171260319.db2.gz LWCOYTSZPGKZHZ-UHFFFAOYSA-N 0 0 267.785 3.641 10 0 CHAERN Fc1ccc(NC2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000020594867 171263817 /nfs/dbraw/zinc/26/38/17/171263817.db2.gz FYVVMQPOCSKXJI-UHFFFAOYSA-N 0 0 285.746 3.577 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 ZINC000021001220 171284528 /nfs/dbraw/zinc/28/45/28/171284528.db2.gz CBKWELYVTGDKCT-AWEZNQCLSA-N 0 0 299.370 3.723 10 0 CHAERN CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1Cl ZINC000021001448 171284642 /nfs/dbraw/zinc/28/46/42/171284642.db2.gz CVAXGFAKNJUBOT-UHFFFAOYSA-N 0 0 290.750 3.694 10 0 CHAERN Cc1ccc(-c2cc(CNC(=O)c3ccccc3)no2)cc1 ZINC000021010083 171286355 /nfs/dbraw/zinc/28/63/55/171286355.db2.gz RPIHJNPKFJGROD-UHFFFAOYSA-N 0 0 292.338 3.580 10 0 CHAERN CC(C)C[C@@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021501231 171305516 /nfs/dbraw/zinc/30/55/16/171305516.db2.gz USNFXUVZQSCCND-SECBINFHSA-N 0 0 257.280 3.855 10 0 CHAERN CC(C)COc1ccc([C@H](C)NCC(F)(F)F)cc1 ZINC000021503704 171306777 /nfs/dbraw/zinc/30/67/77/171306777.db2.gz KFRCPZCTXOWYLJ-NSHDSACASA-N 0 0 275.314 3.934 10 0 CHAERN NC(=S)c1ccc(Nc2ccc(Cl)cc2Cl)nc1 ZINC000021801368 171326037 /nfs/dbraw/zinc/32/60/37/171326037.db2.gz VMWOTWNPCBFNSZ-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021807071 171327841 /nfs/dbraw/zinc/32/78/41/171327841.db2.gz JAXQVMOECKJKCL-KOLCDFICSA-N 0 0 269.291 3.999 10 0 CHAERN C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021807076 171327997 /nfs/dbraw/zinc/32/79/97/171327997.db2.gz JAXQVMOECKJKCL-MWLCHTKSSA-N 0 0 269.291 3.999 10 0 CHAERN COc1ccc(N[C@H](C)CCC(C)C)c(OC)c1 ZINC000021808362 171328434 /nfs/dbraw/zinc/32/84/34/171328434.db2.gz BGHXSBBZWFYXCV-GFCCVEGCSA-N 0 0 251.370 3.940 10 0 CHAERN COc1ccc(NC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000021955788 171341482 /nfs/dbraw/zinc/34/14/82/171341482.db2.gz NMJXFYATLLBQCJ-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Nc1ccc(F)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000021955960 171341627 /nfs/dbraw/zinc/34/16/27/171341627.db2.gz BXBHACXITSTQLR-UHFFFAOYSA-N 0 0 280.302 3.813 10 0 CHAERN Cc1cccc(NC(=O)Nc2cccc(N)c2C)c1 ZINC000021966518 171343991 /nfs/dbraw/zinc/34/39/91/171343991.db2.gz IFTRFPMGAYTUDV-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cc1c(Cl)cc(Cl)c(=O)n1Cc1ccccc1 ZINC000021987673 171345487 /nfs/dbraw/zinc/34/54/87/171345487.db2.gz USWYYGGEMZSXHB-UHFFFAOYSA-N 0 0 268.143 3.512 10 0 CHAERN Brc1ccc(-n2ncc3ccccc32)cc1 ZINC000021988164 171345600 /nfs/dbraw/zinc/34/56/00/171345600.db2.gz CRGBRERVLZVHEK-UHFFFAOYSA-N 0 0 273.133 3.788 10 0 CHAERN Nc1ccc(Cl)cc1NCc1c(F)cccc1F ZINC000021989548 171346454 /nfs/dbraw/zinc/34/64/54/171346454.db2.gz BBGVLHPOEYAOTP-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Brc1ccc(N2CCCCCC2)cc1 ZINC000021995223 171347381 /nfs/dbraw/zinc/34/73/81/171347381.db2.gz RBHZEKVOXNJZPE-UHFFFAOYSA-N 0 0 254.171 3.830 10 0 CHAERN CCCC[C@@H](CC)COc1nc2sccn2c1C=O ZINC000022159561 171363809 /nfs/dbraw/zinc/36/38/09/171363809.db2.gz YMGZFFQPSPEFQL-LLVKDONJSA-N 0 0 280.393 3.804 10 0 CHAERN Nc1cccnc1Oc1ccc(Cl)c2cccnc12 ZINC000022211144 171373261 /nfs/dbraw/zinc/37/32/61/171373261.db2.gz VPIMCHCDMCBFEW-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN Nc1cc(NC(=O)CCC2CCCC2)ccc1Cl ZINC000022215507 171375529 /nfs/dbraw/zinc/37/55/29/171375529.db2.gz WLBLJRCJXUYKKM-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1N ZINC000022220437 171377661 /nfs/dbraw/zinc/37/76/61/171377661.db2.gz CKDSIEJEALLZIK-UHFFFAOYSA-N 0 0 290.750 3.573 10 0 CHAERN CC(C)Sc1ccc(C(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171569104 335070978 /nfs/dbraw/zinc/07/09/78/335070978.db2.gz WQWBLILQGXGPNC-LBPRGKRZSA-N 0 0 295.473 3.765 10 0 CHAERN O=c1oc(Nc2ccc(Cl)cc2)nc2ccccc21 ZINC000026479829 171486665 /nfs/dbraw/zinc/48/66/65/171486665.db2.gz QBHHRJRBHXDCMO-UHFFFAOYSA-N 0 0 272.691 3.585 10 0 CHAERN Cc1cc(C)cc(Nc2nccc(-c3cccnc3)n2)c1 ZINC000026653544 171494953 /nfs/dbraw/zinc/49/49/53/171494953.db2.gz IZKMPNBPFSMTJR-UHFFFAOYSA-N 0 0 276.343 3.899 10 0 CHAERN COc1ccc(-c2oc3ccc(OC)cc3c2C=O)cc1 ZINC000027555698 171520948 /nfs/dbraw/zinc/52/09/48/171520948.db2.gz IDSBAGJQXRHYKH-UHFFFAOYSA-N 0 0 282.295 3.930 10 0 CHAERN COc1ccc2cc(-c3cc(O)cc(O)c3)ccc2c1 ZINC000028526482 171562576 /nfs/dbraw/zinc/56/25/76/171562576.db2.gz VGIYOCSAJBHMAH-UHFFFAOYSA-N 0 0 266.296 3.927 10 0 CHAERN CC(C)c1ccc([C@H](O)CNc2ccccc2)cc1 ZINC000032108708 171701231 /nfs/dbraw/zinc/70/12/31/171701231.db2.gz HGKRAYJJXDRECA-QGZVFWFLSA-N 0 0 255.361 3.956 10 0 CHAERN Nc1ccc2c(c1)N(C1CC1)C(=O)c1ccccc1S2 ZINC000032918053 171762195 /nfs/dbraw/zinc/76/21/95/171762195.db2.gz CKHDJDRWXZYBPE-UHFFFAOYSA-N 0 0 282.368 3.543 10 0 CHAERN CC1CCN(C(=O)/C=C\c2c(F)cccc2Cl)CC1 ZINC000033316706 171782243 /nfs/dbraw/zinc/78/22/43/171782243.db2.gz IKSPANMANSWUJU-WAYWQWQTSA-N 0 0 281.758 3.751 10 0 CHAERN C[C@@H](Oc1cccc(F)c1)C(=O)c1ccc(F)cc1F ZINC000035046974 171950254 /nfs/dbraw/zinc/95/02/54/171950254.db2.gz ABDPKXWHIBQEBZ-SECBINFHSA-N 0 0 280.245 3.754 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2ccc(C)o2)c(F)c1 ZINC000035124489 171994387 /nfs/dbraw/zinc/99/43/87/171994387.db2.gz KBRVEQRVIUINKL-UHFFFAOYSA-N 0 0 261.296 3.566 10 0 CHAERN CCN(C(=O)c1c[nH]c2ccccc12)C1CCCCC1 ZINC000035133712 171998899 /nfs/dbraw/zinc/99/88/99/171998899.db2.gz XSKSVLRNXZPWQV-UHFFFAOYSA-N 0 0 270.376 3.963 10 0 CHAERN CCCCC[C@@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134740 172001576 /nfs/dbraw/zinc/00/15/76/172001576.db2.gz FGUQYJHDVRPMSY-GFCCVEGCSA-N 0 0 258.365 3.867 10 0 CHAERN COC(=O)[C@@H](C)CSc1cc(Cl)ccc1Cl ZINC000035138063 172005310 /nfs/dbraw/zinc/00/53/10/172005310.db2.gz GPELHBIYYGRNCY-ZETCQYMHSA-N 0 0 279.188 3.895 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035161488 172021153 /nfs/dbraw/zinc/02/11/53/172021153.db2.gz RAOSJMZXOCPNQJ-GUYCJALGSA-N 0 0 282.387 3.963 10 0 CHAERN CCOc1ccc(OCC(=O)c2ccc(C)cc2)cc1 ZINC000035181378 172034853 /nfs/dbraw/zinc/03/48/53/172034853.db2.gz DWCJVIRGKOEKPZ-UHFFFAOYSA-N 0 0 270.328 3.655 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccccc2)c(C)c1 ZINC000035181795 172035371 /nfs/dbraw/zinc/03/53/71/172035371.db2.gz OQOVUADFMFSQGO-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(F)cc2)c(C)c1 ZINC000035181829 172035551 /nfs/dbraw/zinc/03/55/51/172035551.db2.gz XZUYGWPKYWCYMU-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN CC[C@H](C)S[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000035182626 172036127 /nfs/dbraw/zinc/03/61/27/172036127.db2.gz URJMJBOUXIPVIC-QWRGUYRKSA-N 0 0 252.379 3.798 10 0 CHAERN C[C@H](Oc1cccc2cccnc21)C(=O)c1ccccc1 ZINC000035183468 172036757 /nfs/dbraw/zinc/03/67/57/172036757.db2.gz VFNZJFRNVQPSDW-ZDUSSCGKSA-N 0 0 277.323 3.885 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(Cl)s2)cc1 ZINC000035183685 172036776 /nfs/dbraw/zinc/03/67/76/172036776.db2.gz KGPCCTPNGDILBT-UHFFFAOYSA-N 0 0 266.749 3.972 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2cccc(C)c2)cc1 ZINC000035183715 172036981 /nfs/dbraw/zinc/03/69/81/172036981.db2.gz JRTBIBAGDNXTLC-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN CCc1ccc(C(=O)COc2ccc(C)cc2)cc1 ZINC000035183641 172036984 /nfs/dbraw/zinc/03/69/84/172036984.db2.gz UBQCLEQOQGGGHV-UHFFFAOYSA-N 0 0 254.329 3.819 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000035183660 172037006 /nfs/dbraw/zinc/03/70/06/172037006.db2.gz KJLWLVSJNCRUKG-NSHDSACASA-N 0 0 276.282 3.923 10 0 CHAERN COc1ccccc1OCC(=O)c1c(C)cc(C)cc1C ZINC000035184021 172037615 /nfs/dbraw/zinc/03/76/15/172037615.db2.gz CDNTYMFSSFSLAV-UHFFFAOYSA-N 0 0 284.355 3.882 10 0 CHAERN C[C@H](Oc1cccc(F)c1)C(=O)c1ccc(F)cc1 ZINC000035184109 172037654 /nfs/dbraw/zinc/03/76/54/172037654.db2.gz FFFZXUWDTNAHEG-JTQLQIEISA-N 0 0 262.255 3.615 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccccc2[C@H](C)O)c1 ZINC000035199575 172044906 /nfs/dbraw/zinc/04/49/06/172044906.db2.gz ONEFBHUIKKZSMS-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN CCc1ccc(C(=O)Cn2c(C)nc3ccccc32)s1 ZINC000035230333 172070984 /nfs/dbraw/zinc/07/09/84/172070984.db2.gz XJKDFJIFLGJAFR-UHFFFAOYSA-N 0 0 284.384 3.852 10 0 CHAERN Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1N ZINC000035283734 172102293 /nfs/dbraw/zinc/10/22/93/172102293.db2.gz ZUQBRYHVRPJSCT-UHFFFAOYSA-N 0 0 268.238 3.783 10 0 CHAERN NC(=S)c1ccc(Nc2cc(Cl)ccc2F)cc1 ZINC000035284718 172102605 /nfs/dbraw/zinc/10/26/05/172102605.db2.gz VFMCUPFVMVMJOD-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN [NH3+][C@@H](CCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000035324519 172126938 /nfs/dbraw/zinc/12/69/38/172126938.db2.gz WYFGUTXDUVESKO-NSHDSACASA-N 0 0 276.163 3.638 10 0 CHAERN CC[C@@H](C)c1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324266 172127020 /nfs/dbraw/zinc/12/70/20/172127020.db2.gz ZJFICJPWXHWOQH-DOMZBBRYSA-N 0 0 263.381 3.845 10 0 CHAERN Cc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)s1 ZINC000035369754 172161266 /nfs/dbraw/zinc/16/12/66/172161266.db2.gz TZNOVCIUJNPLLY-UHFFFAOYSA-N 0 0 259.305 3.908 10 0 CHAERN O=C(c1cccs1)c1cc2c(cc1Cl)OCCCO2 ZINC000035369574 172161672 /nfs/dbraw/zinc/16/16/72/172161672.db2.gz APABAEDKUCNEBO-UHFFFAOYSA-N 0 0 294.759 3.794 10 0 CHAERN CCOc1ccc(Br)cc1C(=O)c1ccoc1 ZINC000035379444 172162515 /nfs/dbraw/zinc/16/25/15/172162515.db2.gz CBGRYRVAXSLNRN-UHFFFAOYSA-N 0 0 295.132 3.672 10 0 CHAERN Cc1ccc([C@H](N)c2cc(Cl)ccc2Cl)o1 ZINC000035382405 172165624 /nfs/dbraw/zinc/16/56/24/172165624.db2.gz WFGZGWDSNZUDKY-GFCCVEGCSA-N 0 0 256.132 3.943 10 0 CHAERN CCCCCOc1cc(OCCC)ccc1C=O ZINC000035412724 172184546 /nfs/dbraw/zinc/18/45/46/172184546.db2.gz BVIYJHSJXZSELM-UHFFFAOYSA-N 0 0 250.338 3.857 10 0 CHAERN COc1ccc(C(=O)CC2CCCCC2)cc1F ZINC000035423862 172192559 /nfs/dbraw/zinc/19/25/59/172192559.db2.gz HVIHXDQSFPKHRT-UHFFFAOYSA-N 0 0 250.313 3.987 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)c(C)c2)cc1F ZINC000035423967 172192746 /nfs/dbraw/zinc/19/27/46/172192746.db2.gz JMBKMWACQZNTFI-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN CN[C@@H](c1cc(C)sc1C)C(F)(F)C(F)(F)F ZINC000035497442 172230363 /nfs/dbraw/zinc/23/03/63/172230363.db2.gz TXCKEFORPRLFOJ-QMMMGPOBSA-N 0 0 273.270 3.823 10 0 CHAERN CCN[C@@H](c1ccc(OC)c(Cl)c1)C(F)(F)F ZINC000035538344 172244959 /nfs/dbraw/zinc/24/49/59/172244959.db2.gz OORUPVJLXORIKK-JTQLQIEISA-N 0 0 267.678 3.562 10 0 CHAERN CCN[C@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035544869 172253037 /nfs/dbraw/zinc/25/30/37/172253037.db2.gz XKBHIPRDQYTKNR-SECBINFHSA-N 0 0 271.204 3.707 10 0 CHAERN CCN[C@@H](c1ccc(OC(C)C)cc1)C(F)(F)F ZINC000035553898 172260173 /nfs/dbraw/zinc/26/01/73/172260173.db2.gz LQDNRICDPRYLAB-LBPRGKRZSA-N 0 0 261.287 3.687 10 0 CHAERN CCN[C@H](c1ccc(OC(C)C)cc1)C(F)(F)F ZINC000035553902 172260980 /nfs/dbraw/zinc/26/09/80/172260980.db2.gz LQDNRICDPRYLAB-GFCCVEGCSA-N 0 0 261.287 3.687 10 0 CHAERN CCCN[C@H](c1ccc(CC)s1)C(F)(F)F ZINC000035573486 172270703 /nfs/dbraw/zinc/27/07/03/172270703.db2.gz DMCVOPQFHBUFTM-SNVBAGLBSA-N 0 0 251.317 3.914 10 0 CHAERN Cc1nc2sccc2c(Oc2ccc(C=O)cc2)n1 ZINC000035576190 172272646 /nfs/dbraw/zinc/27/26/46/172272646.db2.gz ZICDPCFDUZSDRE-UHFFFAOYSA-N 0 0 270.313 3.605 10 0 CHAERN CCCN[C@@H](c1cc(F)ccc1F)C(F)(F)F ZINC000035580088 172275394 /nfs/dbraw/zinc/27/53/94/172275394.db2.gz UHJFUYGYRITJPY-JTQLQIEISA-N 0 0 253.214 3.568 10 0 CHAERN C[C@H](O)c1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000035631514 172313451 /nfs/dbraw/zinc/31/34/51/172313451.db2.gz NKVRHUAIKFRXQV-LBPRGKRZSA-N 0 0 259.324 3.515 10 0 CHAERN CCN(Cc1ccccc1)c1cccc(F)c1[C@@H](C)O ZINC000035631558 172313606 /nfs/dbraw/zinc/31/36/06/172313606.db2.gz IEFUVTQNTNAKFL-CYBMUJFWSA-N 0 0 273.351 3.906 10 0 CHAERN Cc1ccc(CN(C)c2ccc([C@@H](C)O)cc2F)cc1 ZINC000035631500 172313666 /nfs/dbraw/zinc/31/36/66/172313666.db2.gz ZSULBEZTIAFUQO-CYBMUJFWSA-N 0 0 273.351 3.824 10 0 CHAERN O=Cc1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000035635876 172320865 /nfs/dbraw/zinc/32/08/65/172320865.db2.gz LZMXXUMQGFRYEW-UHFFFAOYSA-N 0 0 258.129 3.929 10 0 CHAERN CC(C)CCOc1c(Cl)cc(Cl)cc1CO ZINC000035662569 172340337 /nfs/dbraw/zinc/34/03/37/172340337.db2.gz SRTPTIYRPLSJAZ-UHFFFAOYSA-N 0 0 263.164 3.911 10 0 CHAERN Cc1cc(COc2c(Cl)cc(Cl)cc2C=O)on1 ZINC000035662359 172340609 /nfs/dbraw/zinc/34/06/09/172340609.db2.gz KPEVGZUQBIPRTM-UHFFFAOYSA-N 0 0 286.114 3.681 10 0 CHAERN Cc1ccc(N)cc1OCc1ccc(Cl)s1 ZINC000035678169 172349295 /nfs/dbraw/zinc/34/92/95/172349295.db2.gz GXBOTIAURYBVIW-UHFFFAOYSA-N 0 0 253.754 3.871 10 0 CHAERN O=C(CCC1CCCC1)Nc1cccc(Br)n1 ZINC000035678567 172349384 /nfs/dbraw/zinc/34/93/84/172349384.db2.gz CJGCHXOMXQRVAE-UHFFFAOYSA-N 0 0 297.196 3.753 10 0 CHAERN CN(Cc1cccs1)c1ccc(Cl)cc1N ZINC000035716886 172370849 /nfs/dbraw/zinc/37/08/49/172370849.db2.gz YBVFUAHMGTWLPZ-UHFFFAOYSA-N 0 0 252.770 3.620 10 0 CHAERN CN(Cc1cccs1)c1cccc(Cl)c1CO ZINC000035717929 172372420 /nfs/dbraw/zinc/37/24/20/172372420.db2.gz QWLNNXWEAXPMEU-UHFFFAOYSA-N 0 0 267.781 3.530 10 0 CHAERN C[C@H](O)c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719499 172374476 /nfs/dbraw/zinc/37/44/76/172374476.db2.gz YXJSGEIMPYMXKP-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN C[C@H](Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCCO1 ZINC000035736371 172389284 /nfs/dbraw/zinc/38/92/84/172389284.db2.gz BMMWWJOBJMOULA-KWQFWETISA-N 0 0 282.796 3.929 10 0 CHAERN C[C@H](NC(=O)c1ccc2c(c1)CCCN2)c1cccs1 ZINC000035736778 172390052 /nfs/dbraw/zinc/39/00/52/172390052.db2.gz PCKXRVIUJCZRII-NSHDSACASA-N 0 0 286.400 3.597 10 0 CHAERN CCS(=O)(=O)c1ccccc1N[C@H](C)c1cccs1 ZINC000035737139 172390273 /nfs/dbraw/zinc/39/02/73/172390273.db2.gz YMFIHGGWFNLAPA-LLVKDONJSA-N 0 0 295.429 3.715 10 0 CHAERN C[C@@H](Nc1ccc(Br)cc1N)c1ccco1 ZINC000035739220 172393259 /nfs/dbraw/zinc/39/32/59/172393259.db2.gz PFVDHAAFMVKFIT-MRVPVSSYSA-N 0 0 281.153 3.797 10 0 CHAERN COC(=O)[C@H](C)CNc1cc(C(F)(F)F)ccc1Cl ZINC000035757467 172397617 /nfs/dbraw/zinc/39/76/17/172397617.db2.gz ANMFWBNDDDSKSA-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CC[C@@H]1c2ccc(C)cc2CCN1C(=O)c1cccnc1 ZINC000036114003 172444216 /nfs/dbraw/zinc/44/42/16/172444216.db2.gz LIKBNHJZYBCVOO-QGZVFWFLSA-N 0 0 280.371 3.540 10 0 CHAERN Cc1cc2c(nc(Cl)nc2NCc2ccco2)s1 ZINC000036277575 172568594 /nfs/dbraw/zinc/56/85/94/172568594.db2.gz VUEMMEOZCXUDNJ-UHFFFAOYSA-N 0 0 279.752 3.858 10 0 CHAERN Nc1ccc(F)cc1Oc1nc2ccccc2s1 ZINC000036667346 172647005 /nfs/dbraw/zinc/64/70/05/172647005.db2.gz OYQGMEJLEPDYDT-UHFFFAOYSA-N 0 0 260.293 3.810 10 0 CHAERN Cc1n[nH]c(C)c1NCc1cccc2ccccc21 ZINC000036736218 172666567 /nfs/dbraw/zinc/66/65/67/172666567.db2.gz TZSDWEOSAOXIEA-UHFFFAOYSA-N 0 0 251.333 3.792 10 0 CHAERN CCCSc1ccc(N)c(NC(=O)C2CCC2)c1 ZINC000036737917 172669700 /nfs/dbraw/zinc/66/97/00/172669700.db2.gz CHANYCQZDZDLNY-UHFFFAOYSA-N 0 0 264.394 3.510 10 0 CHAERN Nc1ccc(F)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000036882825 172778646 /nfs/dbraw/zinc/77/86/46/172778646.db2.gz HVDJOVRBMQTPAM-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN O=c1cc(-c2ccccc2)[nH]c2c(Cl)cc(F)cc12 ZINC000036912596 172799231 /nfs/dbraw/zinc/79/92/31/172799231.db2.gz OKPWJBQUMFZNHO-UHFFFAOYSA-N 0 0 273.694 3.988 10 0 CHAERN FC(F)(F)COc1ccc(NC2CCCCC2)cn1 ZINC000036935370 172815294 /nfs/dbraw/zinc/81/52/94/172815294.db2.gz XEBCJJSWBTWPOK-UHFFFAOYSA-N 0 0 274.286 3.767 10 0 CHAERN O=C(c1cccs1)c1cccc(OC(F)F)c1 ZINC000036942474 172818848 /nfs/dbraw/zinc/81/88/48/172818848.db2.gz ZMNQPRQIUNYKHF-UHFFFAOYSA-N 0 0 254.257 3.581 10 0 CHAERN CCCCCC[C@@H](C)Nc1cccc(C(N)=O)c1C ZINC000036996119 172856058 /nfs/dbraw/zinc/85/60/58/172856058.db2.gz XOOVMUFHLBLLJV-GFCCVEGCSA-N 0 0 262.397 3.865 10 0 CHAERN Oc1cccc(CNc2ccc(Cl)cc2F)c1 ZINC000037056465 172923244 /nfs/dbraw/zinc/92/32/44/172923244.db2.gz QQTWQVDKQRLJEF-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN c1csc(CNc2cnc(-c3ccccc3)nc2)c1 ZINC000037073190 172932840 /nfs/dbraw/zinc/93/28/40/172932840.db2.gz OYMUJDZSSHRISM-UHFFFAOYSA-N 0 0 267.357 3.817 10 0 CHAERN Cc1ccc(NCc2ccc(F)cc2F)c(C)c1O ZINC000037130314 172974020 /nfs/dbraw/zinc/97/40/20/172974020.db2.gz RPPNWIYGICTJQA-UHFFFAOYSA-N 0 0 263.287 3.899 10 0 CHAERN Cc1ccc2nc(CSc3ccc(N)cc3)cn2c1 ZINC000037181877 173014282 /nfs/dbraw/zinc/01/42/82/173014282.db2.gz XZWFUWIFNMBRAD-UHFFFAOYSA-N 0 0 269.373 3.517 10 0 CHAERN Nc1ccc(SCc2nc(-c3cccs3)no2)cc1 ZINC000037181887 173014306 /nfs/dbraw/zinc/01/43/06/173014306.db2.gz XLBUNLMCLGVSEZ-UHFFFAOYSA-N 0 0 289.385 3.673 10 0 CHAERN Cc1ccc(SCc2cn3ccccc3n2)c(N)c1 ZINC000037193266 173021990 /nfs/dbraw/zinc/02/19/90/173021990.db2.gz RDMAZYVZNMVZPB-UHFFFAOYSA-N 0 0 269.373 3.517 10 0 CHAERN COc1ccc(-c2nc3cc(C)ccc3s2)c(O)c1 ZINC000037205964 173027660 /nfs/dbraw/zinc/02/76/60/173027660.db2.gz GHUCKKVVZKQVRK-UHFFFAOYSA-N 0 0 271.341 3.986 10 0 CHAERN Cc1nc2sccn2c1CNc1cc(C)cc(C)c1 ZINC000037212432 173033697 /nfs/dbraw/zinc/03/36/97/173033697.db2.gz ZQIMPCNKERACDK-UHFFFAOYSA-N 0 0 271.389 3.933 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)Nc1cccc(N)c1 ZINC000037222857 173043113 /nfs/dbraw/zinc/04/31/13/173043113.db2.gz HMORICIOOHQGAW-FZMZJTMJSA-N 0 0 262.353 3.786 10 0 CHAERN COC(=O)c1ccc(NCc2ccc(C)c(C)c2)cc1 ZINC000037251239 173062666 /nfs/dbraw/zinc/06/26/66/173062666.db2.gz SAKREFPLQPNWNO-UHFFFAOYSA-N 0 0 269.344 3.702 10 0 CHAERN CCOC(=O)c1ccccc1NCc1cccc(C)c1 ZINC000037301771 173107054 /nfs/dbraw/zinc/10/70/54/173107054.db2.gz SOCZZNXLANAFDC-UHFFFAOYSA-N 0 0 269.344 3.784 10 0 CHAERN Oc1cccc2c(N[C@@H]3C[C@@H]4CC=C[C@H]34)cccc12 ZINC000037316958 173117744 /nfs/dbraw/zinc/11/77/44/173117744.db2.gz IYJUBRKUOAKQSK-MQIPJXDCSA-N 0 0 251.329 3.922 10 0 CHAERN C[C@H]1CCC[C@@H](OCCC(=O)c2ccc(F)cc2)C1 ZINC000037330656 173132017 /nfs/dbraw/zinc/13/20/17/173132017.db2.gz HWJFWEQJNABHRP-SWLSCSKDSA-N 0 0 264.340 3.994 10 0 CHAERN COc1ccc(C(=O)CO[C@@H](C)CC(C)C)cc1Cl ZINC000037345472 173143388 /nfs/dbraw/zinc/14/33/88/173143388.db2.gz IKNZAGPDZPJELC-NSHDSACASA-N 0 0 284.783 3.983 10 0 CHAERN Cc1[nH]c2ccccc2c1C(=O)c1ccccc1F ZINC000037361331 173151174 /nfs/dbraw/zinc/15/11/74/173151174.db2.gz PSLJRZPHQHNFTO-UHFFFAOYSA-N 0 0 253.276 3.846 10 0 CHAERN Cc1[nH]c2ccccc2c1C(=O)c1cccc(F)c1 ZINC000037361310 173151186 /nfs/dbraw/zinc/15/11/86/173151186.db2.gz ZBDZQUXGEJLTPQ-UHFFFAOYSA-N 0 0 253.276 3.846 10 0 CHAERN CCCc1cc(Cl)nc(-c2cccc(OC)c2)n1 ZINC000037409136 173185862 /nfs/dbraw/zinc/18/58/62/173185862.db2.gz RCNFESIDBDSQCR-UHFFFAOYSA-N 0 0 262.740 3.758 10 0 CHAERN C[C@@H](c1ccncc1)n1c2cccc(F)c2[nH]c1=S ZINC000037422814 173198112 /nfs/dbraw/zinc/19/81/12/173198112.db2.gz XVOVOQDGLLIRFY-VIFPVBQESA-N 0 0 273.336 3.842 10 0 CHAERN Cn1c2ccc(Cl)cc2nc1Cc1ccc(O)cc1 ZINC000037440925 173210115 /nfs/dbraw/zinc/21/01/15/173210115.db2.gz LAOGMBHGVMCABV-UHFFFAOYSA-N 0 0 272.735 3.523 10 0 CHAERN FC1(F)Oc2ccc(NC(C3CC3)C3CC3)cc2O1 ZINC000037466560 173226476 /nfs/dbraw/zinc/22/64/76/173226476.db2.gz CAOKBLZMXXRJSS-UHFFFAOYSA-N 0 0 267.275 3.609 10 0 CHAERN COc1ccccc1[C@]1(O)C[C@H](C)CC[C@@H]1C(C)C ZINC000037528888 173252428 /nfs/dbraw/zinc/25/24/28/173252428.db2.gz GMLXQEUSXKQLTG-CPUCHLNUSA-N 0 0 262.393 3.975 10 0 CHAERN Cc1ncc(CNc2cccc(N3CCCC3)c2)s1 ZINC000037797665 173732577 /nfs/dbraw/zinc/73/25/77/173732577.db2.gz VHIOWAYMXLYHNH-UHFFFAOYSA-N 0 0 273.405 3.664 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccccc1Br)c1cc[nH]n1 ZINC000037907317 173839850 /nfs/dbraw/zinc/83/98/50/173839850.db2.gz IEVGUNIOVYXAAI-VHSXEESVSA-N 0 0 294.196 3.584 10 0 CHAERN C[C@@H](Nc1ccc(-c2nccs2)cc1)c1cc[nH]n1 ZINC000037908382 173841278 /nfs/dbraw/zinc/84/12/78/173841278.db2.gz UCVYRTVRLIPGNQ-SNVBAGLBSA-N 0 0 270.361 3.706 10 0 CHAERN CCc1ncc(CNc2cccc3cnccc32)s1 ZINC000037924157 173862578 /nfs/dbraw/zinc/86/25/78/173862578.db2.gz ZURHTXOATYNTLZ-UHFFFAOYSA-N 0 0 269.373 3.866 10 0 CHAERN CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1F ZINC000037983698 173945429 /nfs/dbraw/zinc/94/54/29/173945429.db2.gz XYNWQWPLRLLKSB-UHFFFAOYSA-N 0 0 293.288 3.766 10 0 CHAERN Cc1noc(CN[C@@H](C)c2sc3ccccc3c2C)n1 ZINC000038033968 174031822 /nfs/dbraw/zinc/03/18/22/174031822.db2.gz UJPOFZAJYZFLHQ-JTQLQIEISA-N 0 0 287.388 3.752 10 0 CHAERN CCCC[C@@H](NCc1nc(C)no1)c1ccc(F)cc1 ZINC000038034301 174032968 /nfs/dbraw/zinc/03/29/68/174032968.db2.gz NQAKDQUNBWADPJ-CQSZACIVSA-N 0 0 277.343 3.538 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2c(F)cc(N)cc2F)[C@@H]1C ZINC000038039908 174039731 /nfs/dbraw/zinc/03/97/31/174039731.db2.gz FREIXUCXDDBEFE-JRKPZEMJSA-N 0 0 254.324 3.784 10 0 CHAERN Cc1ccc(Nc2c(F)cc(N)cc2F)cc1F ZINC000038040013 174040397 /nfs/dbraw/zinc/04/03/97/174040397.db2.gz TVBUSXCKHQWXBD-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN Nc1cc(F)c(Oc2ccc(F)cc2F)c(F)c1 ZINC000038040246 174040409 /nfs/dbraw/zinc/04/04/09/174040409.db2.gz LNVHUORFNQWFFE-UHFFFAOYSA-N 0 0 257.186 3.618 10 0 CHAERN CCn1c(CN[C@H](C)c2ccco2)nc2ccccc21 ZINC000038046770 174055646 /nfs/dbraw/zinc/05/56/46/174055646.db2.gz QHUGVXABCPKQQF-GFCCVEGCSA-N 0 0 269.348 3.500 10 0 CHAERN Cc1cc(Cl)c(COc2cccc(N)c2)c(Cl)n1 ZINC000038055031 174066464 /nfs/dbraw/zinc/06/64/64/174066464.db2.gz BFSLXDBTUJIAMT-UHFFFAOYSA-N 0 0 283.158 3.858 10 0 CHAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000038066548 174077365 /nfs/dbraw/zinc/07/73/65/174077365.db2.gz JUYSLGXMEAVGLR-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN O=Cc1ccc(F)c(-c2c(F)cc(F)cc2F)c1 ZINC000038071803 174082689 /nfs/dbraw/zinc/08/26/89/174082689.db2.gz IKNDRWJRMQYBEI-UHFFFAOYSA-N 0 0 254.182 3.723 10 0 CHAERN Cc1cc(C)cc(COc2ccc(C(N)=S)cc2)c1 ZINC000038076818 174087748 /nfs/dbraw/zinc/08/77/48/174087748.db2.gz GEYQUFGBTRMKBZ-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN O=c1[nH]nc(Cc2cccc3ccccc32)c2ccccc21 ZINC000038143392 174134713 /nfs/dbraw/zinc/13/47/13/174134713.db2.gz ZKLZDGAZFKPCCL-UHFFFAOYSA-N 0 0 286.334 3.667 10 0 CHAERN CCCC[C@@H]1[C@@H](CC)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000038341458 174140319 /nfs/dbraw/zinc/14/03/19/174140319.db2.gz JAEDHYJDXPIIKQ-GOEBONIOSA-N 0 0 295.448 3.584 10 0 CHAERN COc1cccc2oc(-c3ccc(C)cc3)cc(=O)c12 ZINC000038600927 174149180 /nfs/dbraw/zinc/14/91/80/174149180.db2.gz LTIRNAYAFWMBAE-UHFFFAOYSA-N 0 0 266.296 3.777 10 0 CHAERN CCOC(CCSCc1ccccc1)OCC ZINC000039079588 174162681 /nfs/dbraw/zinc/16/26/81/174162681.db2.gz JHKVXFXCLOLIDI-UHFFFAOYSA-N 0 0 254.395 3.709 10 0 CHAERN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1C ZINC000039127631 174163475 /nfs/dbraw/zinc/16/34/75/174163475.db2.gz BFTCDXNJWUENLC-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN CCOC(=N)[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000039135042 174164388 /nfs/dbraw/zinc/16/43/88/174164388.db2.gz WECDFGKANNKYNG-HNNXBMFYSA-N 0 0 271.316 3.526 10 0 CHAERN CCOC(=O)c1ccccc1Nc1ccccc1OC ZINC000039645860 174171402 /nfs/dbraw/zinc/17/14/02/174171402.db2.gz XBPHWKXOODKHNO-UHFFFAOYSA-N 0 0 271.316 3.616 10 0 CHAERN Cc1cc(C)c2nc(C)cc(NC(=O)C3CC3)c2c1 ZINC000040177047 174202200 /nfs/dbraw/zinc/20/22/00/174202200.db2.gz RBAWAMSPJIDKDK-UHFFFAOYSA-N 0 0 254.333 3.509 10 0 CHAERN Cc1nc2ccccc2n1CCCc1ccccc1 ZINC000040224628 174208168 /nfs/dbraw/zinc/20/81/68/174208168.db2.gz ZHSKAMDGBIIKFE-UHFFFAOYSA-N 0 0 250.345 3.978 10 0 CHAERN Fc1cccc(NCc2ccc3c(c2)CCO3)c1F ZINC000040230433 174210139 /nfs/dbraw/zinc/21/01/39/174210139.db2.gz UHAIQBGNFXZBKP-UHFFFAOYSA-N 0 0 261.271 3.512 10 0 CHAERN COc1ccccc1Cn1c2ccccc2nc1C1CC1 ZINC000040231601 174210374 /nfs/dbraw/zinc/21/03/74/174210374.db2.gz DSDHKSIVQIOJEI-UHFFFAOYSA-N 0 0 278.355 3.971 10 0 CHAERN COCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040231990 174210700 /nfs/dbraw/zinc/21/07/00/174210700.db2.gz VIWKGZSKTKOPRW-UHFFFAOYSA-N 0 0 280.371 3.816 10 0 CHAERN CCc1ccc([C@H](O)c2ccc(F)cc2F)s1 ZINC000040242690 174213672 /nfs/dbraw/zinc/21/36/72/174213672.db2.gz XTJAWZDPLYVLNY-CYBMUJFWSA-N 0 0 254.301 3.670 10 0 CHAERN COc1ccc(C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000040243881 174214212 /nfs/dbraw/zinc/21/42/12/174214212.db2.gz DHAWAOGGIFIYHM-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN CC(C)(C)c1ccc([C@H](O)COc2cccc(N)c2)cc1 ZINC000040352169 174245064 /nfs/dbraw/zinc/24/50/64/174245064.db2.gz XTYZILYIQILAEU-QGZVFWFLSA-N 0 0 285.387 3.679 10 0 CHAERN CCOCCCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040403195 174253592 /nfs/dbraw/zinc/25/35/92/174253592.db2.gz CPTLVKPSKSFGAR-UHFFFAOYSA-N 0 0 278.783 3.994 10 0 CHAERN CCCCc1ccc(Nc2ncnc(Cl)c2N)cc1 ZINC000040571617 174338344 /nfs/dbraw/zinc/33/83/44/174338344.db2.gz KIZMAGOLEXFYAM-UHFFFAOYSA-N 0 0 276.771 3.798 10 0 CHAERN Cc1cccc(Nc2ncnc(NC(C)(C)C)c2N)c1C ZINC000040680517 174374910 /nfs/dbraw/zinc/37/49/10/174374910.db2.gz HUEXYWVBDKAUQP-UHFFFAOYSA-N 0 0 285.395 3.630 10 0 CHAERN CCNc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040707345 174379811 /nfs/dbraw/zinc/37/98/11/174379811.db2.gz DRLBFPOFRWZQJJ-UHFFFAOYSA-N 0 0 298.177 3.541 10 0 CHAERN O=C(Nc1ccnc2cc(Cl)ccc21)c1ccco1 ZINC000041057749 174465266 /nfs/dbraw/zinc/46/52/66/174465266.db2.gz XJXQWEONSZYFAP-UHFFFAOYSA-N 0 0 272.691 3.734 10 0 CHAERN CCC(=O)CCCc1ccc(Br)cc1 ZINC000041325018 174521737 /nfs/dbraw/zinc/52/17/37/174521737.db2.gz WFQBJHOSYULROT-UHFFFAOYSA-N 0 0 255.155 3.751 10 0 CHAERN Cc1cccc(-c2[nH]nc(N)c2-c2ccccc2F)c1 ZINC000041384897 174541557 /nfs/dbraw/zinc/54/15/57/174541557.db2.gz YHMCXFOSPJKLRB-UHFFFAOYSA-N 0 0 267.307 3.773 10 0 CHAERN Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccccc1F ZINC000041402926 174546570 /nfs/dbraw/zinc/54/65/70/174546570.db2.gz XYEVKCDNBSQAKC-UHFFFAOYSA-N 0 0 271.270 3.604 10 0 CHAERN CC(=O)c1cccc(NC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000041639176 174590279 /nfs/dbraw/zinc/59/02/79/174590279.db2.gz SXRSZHYSWDURKV-HSMVNMDESA-N 0 0 288.391 3.835 10 0 CHAERN CC(C)N(Cc1cccs1)c1ccccc1CO ZINC000042518804 174770039 /nfs/dbraw/zinc/77/00/39/174770039.db2.gz HRSSOZXYBSOIIK-UHFFFAOYSA-N 0 0 261.390 3.655 10 0 CHAERN CC(C)CN(c1cccc(F)c1[C@H](C)O)C(C)C ZINC000042586206 174808467 /nfs/dbraw/zinc/80/84/67/174808467.db2.gz ZPLIKULJRXQOSA-LBPRGKRZSA-N 0 0 253.361 3.750 10 0 CHAERN C[C@@H](N(C)c1ccc2ncccc2c1N)C(C)(C)C ZINC000042739651 174861182 /nfs/dbraw/zinc/86/11/82/174861182.db2.gz IFYAZCBHISOAML-LLVKDONJSA-N 0 0 257.381 3.688 10 0 CHAERN CC(C)N(CC(F)(F)F)c1ccc2scnc2c1N ZINC000042741491 174862861 /nfs/dbraw/zinc/86/28/61/174862861.db2.gz UKXHZXUEEAYNBZ-UHFFFAOYSA-N 0 0 289.326 3.656 10 0 CHAERN CC(C)N(CC(F)(F)F)c1ccc([C@H](C)O)cc1 ZINC000042773082 174871892 /nfs/dbraw/zinc/87/18/92/174871892.db2.gz OEIMBIKGTBOPBC-JTQLQIEISA-N 0 0 261.287 3.517 10 0 CHAERN CC(C)N(CC(F)(F)F)c1ccc([C@@H](C)O)cc1F ZINC000042773071 174871966 /nfs/dbraw/zinc/87/19/66/174871966.db2.gz MFEIYTHECHZYHJ-SECBINFHSA-N 0 0 279.277 3.656 10 0 CHAERN FC(F)(F)SCc1ccc(Br)o1 ZINC000043463471 175051966 /nfs/dbraw/zinc/05/19/66/175051966.db2.gz YTQUCXBNBHXAKW-UHFFFAOYSA-N 0 0 261.062 3.795 10 0 CHAERN O[C@H]1C[C@@H](C(F)(F)F)Oc2c3ccccc3ccc21 ZINC000043465011 175052382 /nfs/dbraw/zinc/05/23/82/175052382.db2.gz MFUDQPYSIZFWLM-RYUDHWBXSA-N 0 0 268.234 3.587 10 0 CHAERN Cc1ccc([C@@H](O)CN2c3ccccc3C[C@@H]2C)cc1C ZINC000043501789 175058650 /nfs/dbraw/zinc/05/86/50/175058650.db2.gz CKOODMHOQUGMGY-KXBFYZLASA-N 0 0 281.399 3.788 10 0 CHAERN CSc1ccc([C@H](C)n2nc(C)c(Cl)c2N)cc1 ZINC000043667805 175086872 /nfs/dbraw/zinc/08/68/72/175086872.db2.gz IORQIJKILLVLKZ-VIFPVBQESA-N 0 0 281.812 3.758 10 0 CHAERN Nc1ccccc1OCc1cc(Br)cs1 ZINC000043686595 175094378 /nfs/dbraw/zinc/09/43/78/175094378.db2.gz DWGXTGFCYNQXTK-UHFFFAOYSA-N 0 0 284.178 3.672 10 0 CHAERN CC(C)Oc1ccc([C@@H](O)CN(C)c2ccccc2)cc1 ZINC000044116777 175141666 /nfs/dbraw/zinc/14/16/66/175141666.db2.gz IBODKILJQOVGSD-SFHVURJKSA-N 0 0 285.387 3.644 10 0 CHAERN Fc1ccccc1-c1ncc(Br)s1 ZINC000044121583 175142728 /nfs/dbraw/zinc/14/27/28/175142728.db2.gz OOWCSYNXGAKXRA-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN Fc1ccc(-c2ncc(Br)s2)cc1 ZINC000044120448 175142731 /nfs/dbraw/zinc/14/27/31/175142731.db2.gz XOVQPRMBCZAWOX-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN COc1ccc(-c2coc(Br)c2)cc1 ZINC000044121082 175143018 /nfs/dbraw/zinc/14/30/18/175143018.db2.gz WROULVMIDLKBJZ-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN Cc1ccc([C@H](O)CN2c3ccccc3C[C@@H]2C)c(C)c1 ZINC000044123272 175143143 /nfs/dbraw/zinc/14/31/43/175143143.db2.gz QBQLWTNXDJQOAV-HNAYVOBHSA-N 0 0 281.399 3.788 10 0 CHAERN CCCN(CC(F)(F)F)c1ccc(N)cc1Cl ZINC000044415716 175172797 /nfs/dbraw/zinc/17/27/97/175172797.db2.gz CFFOZTFSMBGMNI-UHFFFAOYSA-N 0 0 266.694 3.701 10 0 CHAERN COc1ccc([C@H]2CC(=O)c3cc(C)ccc3O2)cc1OC ZINC000044602624 175215439 /nfs/dbraw/zinc/21/54/39/175215439.db2.gz WLCHVVPIRBNUHU-QGZVFWFLSA-N 0 0 298.338 3.719 10 0 CHAERN COc1ccc([C@@H]2CC(=O)c3cc(C)ccc3O2)cc1OC ZINC000044602627 175215627 /nfs/dbraw/zinc/21/56/27/175215627.db2.gz WLCHVVPIRBNUHU-KRWDZBQOSA-N 0 0 298.338 3.719 10 0 CHAERN COc1ccc(Nc2nc(C)cc(NC3CCCC3)n2)cc1 ZINC000045187168 175326241 /nfs/dbraw/zinc/32/62/41/175326241.db2.gz ISFAYFSKRUGCAZ-UHFFFAOYSA-N 0 0 298.390 3.892 10 0 CHAERN CCc1cc(OCC(=O)C(C)(C)C)ccc1Cl ZINC000047819647 175413458 /nfs/dbraw/zinc/41/34/58/175413458.db2.gz KJWZMJXMTAILCZ-UHFFFAOYSA-N 0 0 254.757 3.896 10 0 CHAERN CCc1cc2c(cc3c(=S)[nH]nc(CC)n23)s1 ZINC000049453918 175479094 /nfs/dbraw/zinc/47/90/94/175479094.db2.gz UWDKNQQUYPPLNE-UHFFFAOYSA-N 0 0 263.391 3.731 10 0 CHAERN CC(C)=CCS(=O)(=O)Cc1cccc2ccccc21 ZINC000058158802 175608459 /nfs/dbraw/zinc/60/84/59/175608459.db2.gz KMKHDMYQXVIYOC-UHFFFAOYSA-N 0 0 274.385 3.721 10 0 CHAERN CC(C)(C)C(=O)NCc1cccnc1-c1ccc(F)cc1 ZINC000065171313 175703102 /nfs/dbraw/zinc/70/31/02/175703102.db2.gz YNIFDQFKIJDVAZ-UHFFFAOYSA-N 0 0 286.350 3.550 10 0 CHAERN COC(=O)c1ccc(Cl)c(-c2ccc(F)c(O)c2)c1 ZINC000065341178 175710588 /nfs/dbraw/zinc/71/05/88/175710588.db2.gz JSMAJTTWRCSGIS-UHFFFAOYSA-N 0 0 280.682 3.638 10 0 CHAERN O=C(c1nc2c(s1)CCCCC2)c1ccccc1 ZINC000071139832 176038361 /nfs/dbraw/zinc/03/83/61/176038361.db2.gz YXCJJVUMONJCGJ-UHFFFAOYSA-N 0 0 257.358 3.643 10 0 CHAERN Fc1cc(Br)cc(-c2nc3cc[nH]cc-3n2)c1 ZINC000071166765 176049015 /nfs/dbraw/zinc/04/90/15/176049015.db2.gz KYQNVGNXOBMZRC-UHFFFAOYSA-N 0 0 292.111 3.527 10 0 CHAERN Cc1c(Cl)nnc(N(Cc2ccsc2)C2CC2)c1C ZINC000071171506 176052008 /nfs/dbraw/zinc/05/20/08/176052008.db2.gz JTTFOZPNFFIOSF-UHFFFAOYSA-N 0 0 293.823 3.977 10 0 CHAERN Cc1nc2cc(N[C@H]3CCC[C@H]3C)c(N)cc2s1 ZINC000071206909 176080589 /nfs/dbraw/zinc/08/05/89/176080589.db2.gz FAAZSSZRMZZTSJ-KCJUWKMLSA-N 0 0 261.394 3.787 10 0 CHAERN C[C@H](Cc1cccs1)Nc1ccc(N)cc1F ZINC000071270021 176103305 /nfs/dbraw/zinc/10/33/05/176103305.db2.gz FIMRISSHCIXJNQ-SECBINFHSA-N 0 0 250.342 3.513 10 0 CHAERN OCc1c(Cl)n(Cc2ccccc2)c2ccccc12 ZINC000071464934 176181249 /nfs/dbraw/zinc/18/12/49/176181249.db2.gz XWBWHLQDYOJEMM-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN Brc1ccc(-c2nc3c(s2)CCC3)o1 ZINC000071477069 176187404 /nfs/dbraw/zinc/18/74/04/176187404.db2.gz OMBXDDVZOHLZRK-UHFFFAOYSA-N 0 0 270.151 3.654 10 0 CHAERN Clc1cccc(-c2nccc(Br)n2)c1 ZINC000071600859 176227087 /nfs/dbraw/zinc/22/70/87/176227087.db2.gz HNGVLCJVECEYNM-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN FC(F)(F)c1ccccc1-c1nc(Cl)nc(Cl)n1 ZINC000072191942 176336400 /nfs/dbraw/zinc/33/64/00/176336400.db2.gz HNBYRYDBLNWRIR-UHFFFAOYSA-N 0 0 294.063 3.864 10 0 CHAERN N[C@H](c1cc(Cl)ccc1Br)C(F)(F)F ZINC000072195863 176338136 /nfs/dbraw/zinc/33/81/36/176338136.db2.gz WKQWTSNHNVIRBN-SSDOTTSWSA-N 0 0 288.494 3.665 10 0 CHAERN CC(C)=C[C@@](F)(Cl)C(F)(F)Br ZINC000072265616 176352181 /nfs/dbraw/zinc/35/21/81/176352181.db2.gz FUDNWUASIXXSGZ-YFKPBYRVSA-N 0 0 251.473 3.845 10 0 CHAERN O=C1CCC[C@@H](c2cc(Br)ccc2F)C1 ZINC000076409265 177019948 /nfs/dbraw/zinc/01/99/48/177019948.db2.gz KZQUESLARKVPTL-MRVPVSSYSA-N 0 0 271.129 3.815 10 0 CHAERN Fc1cccc(-c2cn3cc(Br)ccc3n2)c1 ZINC000076535438 177035071 /nfs/dbraw/zinc/03/50/71/177035071.db2.gz NSNJGWNKDIDNNB-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN CC(C)(C)c1ccc(C[N@@H+](CC(=O)[O-])C(C)(C)C)cc1 ZINC000076752324 177085933 /nfs/dbraw/zinc/08/59/33/177085933.db2.gz HJYSUKUJSVJNIN-UHFFFAOYSA-N 0 0 277.408 3.669 10 0 CHAERN Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000076855239 177121859 /nfs/dbraw/zinc/12/18/59/177121859.db2.gz IVOKDWNCIUWZRQ-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN COc1ccc(OC)c(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000078806133 177390997 /nfs/dbraw/zinc/39/09/97/177390997.db2.gz JVKVJRJVOFCZCA-ZDUSSCGKSA-N 0 0 299.370 3.503 10 0 CHAERN O[C@H](CNc1cc2ccccc2c(Cl)n1)C1CCCC1 ZINC000301264523 227491200 /nfs/dbraw/zinc/49/12/00/227491200.db2.gz DVQWYLOOLFVQDB-CQSZACIVSA-N 0 0 290.794 3.851 10 0 CHAERN Cc1cc(C)cc([C@H]2CCCN2c2nccc(C)n2)c1 ZINC000301293648 227503518 /nfs/dbraw/zinc/50/35/18/227503518.db2.gz WESVAYUNWZFLFF-MRXNPFEDSA-N 0 0 267.376 3.743 10 0 CHAERN FC(F)(F)c1cccc(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000301576428 227595034 /nfs/dbraw/zinc/59/50/34/227595034.db2.gz NWGQKKOGSFXROK-GHMZBOCLSA-N 0 0 270.298 3.869 10 0 CHAERN Cc1cc(Cc2noc(C3(CC(C)C)CCCC3)n2)no1 ZINC000329645004 227754985 /nfs/dbraw/zinc/75/49/85/227754985.db2.gz DJBHKHQDHBAVJK-UHFFFAOYSA-N 0 0 289.379 3.815 10 0 CHAERN CSc1cccc(NC(=O)c2ccc3c(c2)CCN3)c1 ZINC000037322992 260088060 /nfs/dbraw/zinc/08/80/60/260088060.db2.gz BOKCRIRXIAMSDN-UHFFFAOYSA-N 0 0 284.384 3.629 10 0 CHAERN C[C@@H]1C[C@@H](c2nc(CC3=CCCCC3)no2)CCC1=O ZINC000330219212 228070199 /nfs/dbraw/zinc/07/01/99/228070199.db2.gz PIIGMIHLYFCFQT-YPMHNXCESA-N 0 0 274.364 3.585 10 0 CHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330227099 228072566 /nfs/dbraw/zinc/07/25/66/228072566.db2.gz BVYNHYQRCPHITO-IUODEOHRSA-N 0 0 297.358 3.748 10 0 CHAERN CC(=O)c1ccc(N[C@@H]2c3cc(C)ccc3C[C@@H]2C)nc1 ZINC000180318846 260098602 /nfs/dbraw/zinc/09/86/02/260098602.db2.gz AAIHANSGCWVFJE-SGTLLEGYSA-N 0 0 280.371 3.938 10 0 CHAERN C[C@H](Nc1cccc(Cn2cncn2)c1)c1cccs1 ZINC000037785087 260117931 /nfs/dbraw/zinc/11/79/31/260117931.db2.gz BOKSFDCMWOLOON-LBPRGKRZSA-N 0 0 284.388 3.561 10 0 CHAERN CC[C@@H](Nc1cccc(Cn2cncn2)c1)c1cccs1 ZINC000037785216 260117943 /nfs/dbraw/zinc/11/79/43/260117943.db2.gz AMFLPYKTJVDBED-OAHLLOKOSA-N 0 0 298.415 3.951 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(C(F)(F)F)c2)o1 ZINC000220884708 260140504 /nfs/dbraw/zinc/14/05/04/260140504.db2.gz MFIIYDPYCVWUFB-JTQLQIEISA-N 0 0 284.281 3.853 10 0 CHAERN Fc1cc(CN[C@@H]2COc3ccccc32)ccc1Cl ZINC000070070157 260151508 /nfs/dbraw/zinc/15/15/08/260151508.db2.gz AHLHWZWLJDFFNM-CQSZACIVSA-N 0 0 277.726 3.702 10 0 CHAERN CC[C@H]1CCCN(C(=O)c2cccc3c2CCCN3)CC1 ZINC000079347717 260175671 /nfs/dbraw/zinc/17/56/71/260175671.db2.gz CCABZPKFNZCHSX-AWEZNQCLSA-N 0 0 286.419 3.697 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccccc1OC(F)F ZINC000087406829 260213812 /nfs/dbraw/zinc/21/38/12/260213812.db2.gz FJCMBWPKQYELLX-VIFPVBQESA-N 0 0 281.306 3.503 10 0 CHAERN FC(F)(F)c1cc(N[C@H]2COc3ccccc32)ccn1 ZINC000312932855 260222928 /nfs/dbraw/zinc/22/29/28/260222928.db2.gz YLARXMNELNQFSQ-NSHDSACASA-N 0 0 280.249 3.646 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cs1 ZINC000408101015 260230422 /nfs/dbraw/zinc/23/04/22/260230422.db2.gz GADAGMANFQVNSE-HNCHTBHHSA-N 0 0 295.452 3.636 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc3cc[nH]c32)o1 ZINC000088732981 260234473 /nfs/dbraw/zinc/23/44/73/260234473.db2.gz AFAKPELHLKWNGQ-NSHDSACASA-N 0 0 268.316 3.560 10 0 CHAERN CCCn1ccc(CNc2ccccc2N(C)C)c1 ZINC000091011484 260264689 /nfs/dbraw/zinc/26/46/89/260264689.db2.gz JXOCRTXHEBHINF-UHFFFAOYSA-N 0 0 257.381 3.576 10 0 CHAERN CCCn1ccc(CNc2ccc3c(c2)CCC3)c1 ZINC000091009195 260264766 /nfs/dbraw/zinc/26/47/66/260264766.db2.gz IVWVIBMAIKJYBF-UHFFFAOYSA-N 0 0 254.377 3.999 10 0 CHAERN CCn1cccc1CNc1ccc(OC(F)F)c(F)c1 ZINC000091025599 260265316 /nfs/dbraw/zinc/26/53/16/260265316.db2.gz HASAHGNRARJYGD-UHFFFAOYSA-N 0 0 284.281 3.861 10 0 CHAERN CCn1cccc1CNc1ccc(N2CCCC2)c(F)c1 ZINC000091025691 260265318 /nfs/dbraw/zinc/26/53/18/260265318.db2.gz RUPHMUOVQAUSHK-UHFFFAOYSA-N 0 0 287.382 3.859 10 0 CHAERN C[C@@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@@H](C)C1 ZINC000093278236 260274342 /nfs/dbraw/zinc/27/43/42/260274342.db2.gz CCMMANBIJLMAOY-OLZOCXBDSA-N 0 0 292.427 3.538 10 0 CHAERN CCn1ccnc1CSCc1nc2ccccc2s1 ZINC000083632064 260354167 /nfs/dbraw/zinc/35/41/67/260354167.db2.gz NVBOYQCSHDNGJX-UHFFFAOYSA-N 0 0 289.429 3.946 10 0 CHAERN Cc1ccccc1[C@@H](C)SCc1nnc(C2CC2)n1C ZINC000091036836 260471534 /nfs/dbraw/zinc/47/15/34/260471534.db2.gz ZWNIRUXBUMWGSZ-GFCCVEGCSA-N 0 0 287.432 3.995 10 0 CHAERN C[C@@H](CC(=O)N1CCCc2c(N)cccc21)C(C)(C)C ZINC000133256219 260517715 /nfs/dbraw/zinc/51/77/15/260517715.db2.gz XIXDUOOWCLDTAQ-LBPRGKRZSA-N 0 0 274.408 3.620 10 0 CHAERN CC[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000248829000 260937641 /nfs/dbraw/zinc/93/76/41/260937641.db2.gz HMYWHOUPABKAJV-ZOWXZIJZSA-N 0 0 290.407 3.503 10 0 CHAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1C ZINC000153277946 261076191 /nfs/dbraw/zinc/07/61/91/261076191.db2.gz DFEUDEVTYOLVGU-STQMWFEESA-N 0 0 299.418 3.706 10 0 CHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000153443187 261078376 /nfs/dbraw/zinc/07/83/76/261078376.db2.gz PGMBPIGYYWVWOZ-ZFWWWQNUSA-N 0 0 289.419 3.958 10 0 CHAERN COc1cc([C@@H](C)Nc2cccc(F)n2)ccc1F ZINC000161567460 261095300 /nfs/dbraw/zinc/09/53/00/261095300.db2.gz HGKSVFSFYARRAJ-SECBINFHSA-N 0 0 264.275 3.542 10 0 CHAERN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)COC)o1 ZINC000155031463 261097158 /nfs/dbraw/zinc/09/71/58/261097158.db2.gz HVIKJNGQAGIGQY-HIFRSBDPSA-N 0 0 293.407 3.568 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCc2ccc(F)cc2F)o1 ZINC000157733671 261151413 /nfs/dbraw/zinc/15/14/13/261151413.db2.gz MUHHUUHDQXBYJA-NSHDSACASA-N 0 0 293.313 3.676 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000173662567 261168073 /nfs/dbraw/zinc/16/80/73/261168073.db2.gz WCGZMVHAHWKFKY-SNVBAGLBSA-N 0 0 288.313 3.957 10 0 CHAERN CCn1ccnc1CSCc1cccc(F)c1F ZINC000175277428 261217864 /nfs/dbraw/zinc/21/78/64/261217864.db2.gz ZVVOTHRMOHWDRT-UHFFFAOYSA-N 0 0 268.332 3.615 10 0 CHAERN C[C@H](N(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1(C)CC1 ZINC000175606221 261236952 /nfs/dbraw/zinc/23/69/52/261236952.db2.gz KXVJYPNYQLTBGX-UHTWSYAYSA-N 0 0 293.357 3.715 10 0 CHAERN CCCCN(Cc1nccn1C)Cc1ccccc1Cl ZINC000102656649 261267062 /nfs/dbraw/zinc/26/70/62/261267062.db2.gz RKOZINOBGBKADT-UHFFFAOYSA-N 0 0 291.826 3.876 10 0 CHAERN Cc1cc(N[C@H](C)C(C)C)ncc1Br ZINC000162925893 261299119 /nfs/dbraw/zinc/29/91/19/261299119.db2.gz YALBKFRZBOUSSN-SECBINFHSA-N 0 0 257.175 3.609 10 0 CHAERN Cc1cc(NCCSC(C)(C)C)nc(C(C)C)n1 ZINC000301140630 261330179 /nfs/dbraw/zinc/33/01/79/261330179.db2.gz FIKBYUVOIBUPPT-UHFFFAOYSA-N 0 0 267.442 3.852 10 0 CHAERN CCC[C@@H]1C[C@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302749461 261355074 /nfs/dbraw/zinc/35/50/74/261355074.db2.gz GPVHHLFTPYPZRH-RNFRBKRXSA-N 0 0 250.289 3.762 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)o1 ZINC000177450296 261356001 /nfs/dbraw/zinc/35/60/01/261356001.db2.gz MYSJOOADNZTFCR-OAGGEKHMSA-N 0 0 287.403 3.942 10 0 CHAERN C[C@@H](Nc1cccc(OC(F)F)c1)c1cncs1 ZINC000165058608 261364403 /nfs/dbraw/zinc/36/44/03/261364403.db2.gz GINRHNYRPSBGDE-MRVPVSSYSA-N 0 0 270.304 3.918 10 0 CHAERN C[C@@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000108721279 261388176 /nfs/dbraw/zinc/38/81/76/261388176.db2.gz QPTPRMBECFONAH-RYUDHWBXSA-N 0 0 287.407 3.812 10 0 CHAERN Clc1ncccc1CN1CCCC[C@@H]1c1nccs1 ZINC000171081344 261456947 /nfs/dbraw/zinc/45/69/47/261456947.db2.gz VYHDRGUVXCZBFG-GFCCVEGCSA-N 0 0 293.823 3.919 10 0 CHAERN C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1cccc(Cl)c1 ZINC000173648639 261540863 /nfs/dbraw/zinc/54/08/63/261540863.db2.gz ZLCAUOMXZLGOPU-RYUDHWBXSA-N 0 0 288.778 3.716 10 0 CHAERN CC(C)c1nnc(CN[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000180735336 261872137 /nfs/dbraw/zinc/87/21/37/261872137.db2.gz BJXZPVJUWXQRRE-SECBINFHSA-N 0 0 297.761 3.836 10 0 CHAERN CCn1c(C)nnc1CSCCCc1ccc(C)cc1 ZINC000182059798 261921248 /nfs/dbraw/zinc/92/12/48/261921248.db2.gz BDZIQFOYSZQBCV-UHFFFAOYSA-N 0 0 289.448 3.781 10 0 CHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccccc2C)CCO1 ZINC000182500073 261941314 /nfs/dbraw/zinc/94/13/14/261941314.db2.gz GAPLEZDDSWOMOG-ARFHVFGLSA-N 0 0 289.419 3.768 10 0 CHAERN CCCCc1noc([C@@H](C)N[C@@H](C)c2ccc(C)o2)n1 ZINC000182572845 261943523 /nfs/dbraw/zinc/94/35/23/261943523.db2.gz IKAWLSMLMWCQLK-NWDGAFQWSA-N 0 0 277.368 3.725 10 0 CHAERN C[C@H](CSCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000183293149 261970310 /nfs/dbraw/zinc/97/03/10/261970310.db2.gz LHMOBXZJVNBEIB-GFCCVEGCSA-N 0 0 287.432 3.729 10 0 CHAERN COc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1OC(C)C ZINC000184190919 262012080 /nfs/dbraw/zinc/01/20/80/262012080.db2.gz ZSONWMQARFPNLA-LBPRGKRZSA-N 0 0 294.395 3.648 10 0 CHAERN COc1ccc([C@@H](C)NC(=O)[C@@H](C)CC(C)C)cc1OC ZINC000185151816 262044029 /nfs/dbraw/zinc/04/40/29/262044029.db2.gz XFEYMENXCZOUCQ-QWHCGFSZSA-N 0 0 293.407 3.563 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(C)cc2C)C12CCOCC2 ZINC000186473247 262094540 /nfs/dbraw/zinc/09/45/40/262094540.db2.gz UNUKJAAGLDRKLU-IAGOWNOFSA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cc(C)ccc2C)C12CCOCC2 ZINC000186475592 262094646 /nfs/dbraw/zinc/09/46/46/262094646.db2.gz KMXJJDVHKBGZHX-IAGOWNOFSA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(C)cc2F)C12CCOCC2 ZINC000186470723 262094692 /nfs/dbraw/zinc/09/46/92/262094692.db2.gz DGJSYCHVXDEULO-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN c1coc([C@@H]([NH2+]CCc2ccccn2)c2ccccc2)c1 ZINC000019916820 262206409 /nfs/dbraw/zinc/20/64/09/262206409.db2.gz IERRXDDAPVIOAE-SFHVURJKSA-N 0 0 278.355 3.596 10 0 CHAERN Cc1cc(N2CC[C@H]3CCCC[C@@H]32)ncc1Br ZINC000126778884 264225652 /nfs/dbraw/zinc/22/56/52/264225652.db2.gz GNNNDIRAHXRYRN-YPMHNXCESA-N 0 0 295.224 3.921 10 0 CHAERN Cc1nc(N[C@H](C)c2nccs2)ccc1Br ZINC000230078427 264437222 /nfs/dbraw/zinc/43/72/22/264437222.db2.gz USLYNMDKYFSTQX-MRVPVSSYSA-N 0 0 298.209 3.782 10 0 CHAERN CC(C)[C@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000106516369 264931630 /nfs/dbraw/zinc/93/16/30/264931630.db2.gz BNHACVFRANCTBE-QWRGUYRKSA-N 0 0 297.468 3.845 10 0 CHAERN COc1ccc(F)c(N[C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000094854300 265264339 /nfs/dbraw/zinc/26/43/39/265264339.db2.gz IZKUJVBJPHXHQJ-JTQLQIEISA-N 0 0 289.306 3.736 10 0 CHAERN O=C(c1cccc(Cl)n1)c1ccc2ccccc2n1 ZINC000504696686 265892499 /nfs/dbraw/zinc/89/24/99/265892499.db2.gz SQFHGCTXSZMBPE-UHFFFAOYSA-N 0 0 268.703 3.514 10 0 CHAERN O=C(c1cc2c(s1)CCC2)N1CCC[C@H]1c1ccco1 ZINC000116043743 267121169 /nfs/dbraw/zinc/12/11/69/267121169.db2.gz PQLFXYJRTJDSIK-LBPRGKRZSA-N 0 0 287.384 3.807 10 0 CHAERN O=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116045546 267121204 /nfs/dbraw/zinc/12/12/04/267121204.db2.gz USKBJVVKTBRKCE-HUUCEWRRSA-N 0 0 297.354 3.509 10 0 CHAERN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000116049339 267121229 /nfs/dbraw/zinc/12/12/29/267121229.db2.gz VFSLIWHKPOZEFW-ZDUSSCGKSA-N 0 0 275.735 3.910 10 0 CHAERN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2c2ccco2)c1 ZINC000116295657 267137700 /nfs/dbraw/zinc/13/77/00/267137700.db2.gz ZARHTGFVGBJPIB-MRXNPFEDSA-N 0 0 298.386 3.672 10 0 CHAERN Fc1cccc(F)c1[C@@H]1C[C@@H]1c1nc(-c2ccncc2)no1 ZINC000116604560 267167532 /nfs/dbraw/zinc/16/75/32/267167532.db2.gz YQDDGXYHLJDYLA-MNOVXSKESA-N 0 0 299.280 3.681 10 0 CHAERN COc1ccc(C)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117565683 267215911 /nfs/dbraw/zinc/21/59/11/267215911.db2.gz KHJRUHCCNHCVHW-PXAZEXFGSA-N 0 0 297.354 3.507 10 0 CHAERN Cc1cc(F)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117571216 267216702 /nfs/dbraw/zinc/21/67/02/267216702.db2.gz NIDBIZHMZJAEGX-BDJLRTHQSA-N 0 0 285.318 3.637 10 0 CHAERN O=C1CCCC[C@H]1c1ccccc1Br ZINC000062624959 526973142 /nfs/dbraw/zinc/97/31/42/526973142.db2.gz MFBQZDFSKORVFG-JTQLQIEISA-N 0 0 253.139 3.676 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)CC2CCOCC2)c2ccccc21 ZINC000162837725 327703986 /nfs/dbraw/zinc/70/39/86/327703986.db2.gz XTMXINMSIWLRBC-DYVFJYSZSA-N 0 0 287.403 3.558 10 0 CHAERN CC(C)c1noc([C@H](C)Nc2ccc3scnc3c2)n1 ZINC000171116526 327751795 /nfs/dbraw/zinc/75/17/95/327751795.db2.gz CDLYONKSTGUSNY-VIFPVBQESA-N 0 0 288.376 3.976 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(O)cc1 ZINC000183312984 327818817 /nfs/dbraw/zinc/81/88/17/327818817.db2.gz LJWFCINJXRSGIQ-AWEZNQCLSA-N 0 0 283.371 3.511 10 0 CHAERN CC[C@H](Nc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000388590988 327911027 /nfs/dbraw/zinc/91/10/27/327911027.db2.gz ZACMCSQSRLTOMX-GWCFXTLKSA-N 0 0 273.298 3.932 10 0 CHAERN CCCCOCCN[C@H](c1ccco1)c1ccccc1 ZINC000040506480 327916526 /nfs/dbraw/zinc/91/65/26/327916526.db2.gz JUFXLGKRYRFCJH-KRWDZBQOSA-N 0 0 273.376 3.775 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@H]2CC[C@@H](C)O2)C(C)C)c1 ZINC000155502191 328082401 /nfs/dbraw/zinc/08/24/01/328082401.db2.gz GCWKEDHPHHDVCU-GDBMZVCRSA-N 0 0 275.392 3.612 10 0 CHAERN CCC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173407194 329146785 /nfs/dbraw/zinc/14/67/85/329146785.db2.gz SDFAZGHKMQUQII-DGCLKSJQSA-N 0 0 280.437 3.594 10 0 CHAERN COc1cc(C)nc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000213623300 328274208 /nfs/dbraw/zinc/27/42/08/328274208.db2.gz NYJYKARTIUZZTN-ZDUSSCGKSA-N 0 0 288.366 3.697 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000114786915 328657988 /nfs/dbraw/zinc/65/79/88/328657988.db2.gz MONHYVBFGLMKCY-BXKDBHETSA-N 0 0 282.181 3.824 10 0 CHAERN CSc1ccc(N[C@@H]2CC(=O)N(C)c3ccccc32)cc1 ZINC000037197716 326840756 /nfs/dbraw/zinc/84/07/56/326840756.db2.gz KMQMXLDCEXDMJY-OAHLLOKOSA-N 0 0 298.411 3.928 10 0 CHAERN Fc1ccc(OCCc2nc(-c3cccs3)no2)cc1 ZINC000109459949 326853824 /nfs/dbraw/zinc/85/38/24/326853824.db2.gz TUNWLZFUGUITDB-UHFFFAOYSA-N 0 0 290.319 3.559 10 0 CHAERN Oc1ccc(-c2nc(CC3CCCCC3)no2)c(F)c1 ZINC000394238746 326917989 /nfs/dbraw/zinc/91/79/89/326917989.db2.gz REWJYQIMMGVTPB-UHFFFAOYSA-N 0 0 276.311 3.704 10 0 CHAERN CC[C@H](C(=O)N1CCCc2c(N)cccc21)c1ccccc1 ZINC000262040290 327082608 /nfs/dbraw/zinc/08/26/08/327082608.db2.gz BVZJBAKDTPZUJP-HNNXBMFYSA-N 0 0 294.398 3.742 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)CCCc1cc(Cl)sc1Cl ZINC000151219087 327458864 /nfs/dbraw/zinc/45/88/64/327458864.db2.gz RSDUEMVYLDUMNU-APPZFPTMSA-N 0 0 292.231 3.902 10 0 CHAERN C[C@H]1CC[C@@](O)(c2ccc(Br)cc2)CS1 ZINC000521400970 328674200 /nfs/dbraw/zinc/67/42/00/328674200.db2.gz DKFFGPBOVIOPLN-CABZTGNLSA-N 0 0 287.222 3.552 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCO1 ZINC000054186810 328689289 /nfs/dbraw/zinc/68/92/89/328689289.db2.gz BLPOEQIAHSQWKL-BXKDBHETSA-N 0 0 259.271 3.685 10 0 CHAERN Cc1cccc(CC(=O)Nc2nc(C(C)C)cs2)c1 ZINC000102602223 328706474 /nfs/dbraw/zinc/70/64/74/328706474.db2.gz FYAAXJJINQXTSR-UHFFFAOYSA-N 0 0 274.389 3.756 10 0 CHAERN CCN(C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000042999969 328772811 /nfs/dbraw/zinc/77/28/11/328772811.db2.gz FZYUQEGKFVWFDE-IHWZXDPASA-N 0 0 290.451 3.785 10 0 CHAERN CC[C@H](CC(=O)NCc1cnn(-c2ccccc2)c1)C(C)C ZINC000104223793 328776595 /nfs/dbraw/zinc/77/65/95/328776595.db2.gz BPFHSYXVJMTBIO-MRXNPFEDSA-N 0 0 299.418 3.561 10 0 CHAERN CC(C)c1nc(C(=O)N2CCC[C@H]2c2ccco2)cs1 ZINC000116038915 328933737 /nfs/dbraw/zinc/93/37/37/328933737.db2.gz ASGJKSJFMDDDMA-LBPRGKRZSA-N 0 0 290.388 3.837 10 0 CHAERN COc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117719809 328942902 /nfs/dbraw/zinc/94/29/02/328942902.db2.gz LYDRFFLXPQNYOD-UHFFFAOYSA-N 0 0 299.395 3.686 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NC(=O)Nc2ccncn2)cc1 ZINC000194119658 329065703 /nfs/dbraw/zinc/06/57/03/329065703.db2.gz VMCPWESJKUPIPT-ZDUSSCGKSA-N 0 0 298.390 3.558 10 0 CHAERN CCC[C@H]1C[C@H]1Nc1cc(Cl)nc(C2CC2)n1 ZINC000218053203 329066910 /nfs/dbraw/zinc/06/69/10/329066910.db2.gz FLTGKNGYWDWMPR-VHSXEESVSA-N 0 0 251.761 3.608 10 0 CHAERN CC[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(C)cc1 ZINC000171414018 329075565 /nfs/dbraw/zinc/07/55/65/329075565.db2.gz RFHOXJHEVMSZAS-ZFWWWQNUSA-N 0 0 292.448 3.593 10 0 CHAERN CCC[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171414609 329075587 /nfs/dbraw/zinc/07/55/87/329075587.db2.gz YTRADZJWKTUMOL-ZFWWWQNUSA-N 0 0 292.448 3.675 10 0 CHAERN COc1cc(C)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000172058844 329080750 /nfs/dbraw/zinc/08/07/50/329080750.db2.gz YMPIXVAUXYDKIG-YVEFUNNKSA-N 0 0 297.354 3.507 10 0 CHAERN O=C(Nc1ccc2c(c1)CCO2)N1CCC[C@@H]1c1ccco1 ZINC000172147161 329081871 /nfs/dbraw/zinc/08/18/71/329081871.db2.gz XCKWFDBIPPUQOL-CQSZACIVSA-N 0 0 298.342 3.584 10 0 CHAERN Fc1ccc(F)c(CN2CCC[C@@H]2c2ccco2)c1 ZINC000172025363 329083416 /nfs/dbraw/zinc/08/34/16/329083416.db2.gz YIUWBYUPHBIMGJ-CQSZACIVSA-N 0 0 263.287 3.895 10 0 CHAERN CCCc1ncc(C(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000173047789 329142530 /nfs/dbraw/zinc/14/25/30/329142530.db2.gz NZIDAZMHWHBJKL-LLVKDONJSA-N 0 0 290.388 3.666 10 0 CHAERN CCCCCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173475531 329147130 /nfs/dbraw/zinc/14/71/30/329147130.db2.gz SKOWZBPBEQPGIY-ZDUSSCGKSA-N 0 0 295.452 3.531 10 0 CHAERN CCCCCC[C@@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173853416 329152930 /nfs/dbraw/zinc/15/29/30/329152930.db2.gz IPDMBHDDRKUICG-CQSZACIVSA-N 0 0 291.439 3.722 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccncc1 ZINC000174053973 329153888 /nfs/dbraw/zinc/15/38/88/329153888.db2.gz SWKOGNMLLVZUQC-GFCCVEGCSA-N 0 0 281.359 3.530 10 0 CHAERN Cc1cc(C)c(C(=O)N2CC=C(c3ccccc3)CC2)o1 ZINC000175277585 329167231 /nfs/dbraw/zinc/16/72/31/329167231.db2.gz UFPZJUAMYRRRKA-UHFFFAOYSA-N 0 0 281.355 3.826 10 0 CHAERN CCCc1ccc(CSCc2nnc(C)n2CC)cc1 ZINC000179825636 329212849 /nfs/dbraw/zinc/21/28/49/329212849.db2.gz FQDDLSBBOQFXFA-UHFFFAOYSA-N 0 0 289.448 3.992 10 0 CHAERN COCc1ccsc1C(=O)N[C@@H](C)c1ccccc1C ZINC000179877316 329212987 /nfs/dbraw/zinc/21/29/87/329212987.db2.gz IHHQVTWKVZXERG-LBPRGKRZSA-N 0 0 289.400 3.694 10 0 CHAERN O=C(Nc1cccc(O)c1)c1cccn1C1CCCC1 ZINC000179861637 329212993 /nfs/dbraw/zinc/21/29/93/329212993.db2.gz FHELNIYXVLOZGA-UHFFFAOYSA-N 0 0 270.332 3.561 10 0 CHAERN C[C@H](NCc1nc(-c2ccsc2)no1)c1cccs1 ZINC000179957542 329213945 /nfs/dbraw/zinc/21/39/45/329213945.db2.gz ONSWFQGCULGRRZ-VIFPVBQESA-N 0 0 291.401 3.710 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180441288 329217148 /nfs/dbraw/zinc/21/71/48/329217148.db2.gz QKEMAQIENOXFJX-ZIAGYGMSSA-N 0 0 274.408 3.897 10 0 CHAERN COCCC1(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)CCC1 ZINC000180448683 329217288 /nfs/dbraw/zinc/21/72/88/329217288.db2.gz JBUUUDNQIGSXGQ-GJZGRUSLSA-N 0 0 295.467 3.772 10 0 CHAERN COCc1csc(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000180564523 329220705 /nfs/dbraw/zinc/22/07/05/329220705.db2.gz ASLVEDULXBGMPA-GHMZBOCLSA-N 0 0 296.436 3.690 10 0 CHAERN CCCCC[C@@H](CC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000180939558 329224168 /nfs/dbraw/zinc/22/41/68/329224168.db2.gz DASBRMGZXJRPSX-CQSZACIVSA-N 0 0 291.439 3.722 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181188749 329233453 /nfs/dbraw/zinc/23/34/53/329233453.db2.gz NNSQXZIBWZTODM-PWSUYJOCSA-N 0 0 278.396 3.946 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC[C@H](C)OC)o1 ZINC000181541316 329234138 /nfs/dbraw/zinc/23/41/38/329234138.db2.gz UNLSDKGNXOZHOJ-DZGCQCFKSA-N 0 0 293.407 3.711 10 0 CHAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411261 329236587 /nfs/dbraw/zinc/23/65/87/329236587.db2.gz YXHRTZRHWIJDNO-KXBFYZLASA-N 0 0 289.382 3.917 10 0 CHAERN O=C(NCCC[C@@H]1CCCCO1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000183461974 329247943 /nfs/dbraw/zinc/24/79/43/329247943.db2.gz IDDTZXWOPUCKSR-YESZJQIVSA-N 0 0 293.451 3.668 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2ccncc2F)CC(C)(C)C1 ZINC000184324782 329258929 /nfs/dbraw/zinc/25/89/29/329258929.db2.gz AYDOBOXZCXCCOE-MNOVXSKESA-N 0 0 264.344 3.622 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184631016 329261426 /nfs/dbraw/zinc/26/14/26/329261426.db2.gz QLAVFTZTQSUULN-LZWOXQAQSA-N 0 0 293.407 3.751 10 0 CHAERN Cc1ccc(-c2n[nH]cc2CNc2ncccc2C)cc1 ZINC000184831651 329263210 /nfs/dbraw/zinc/26/32/10/329263210.db2.gz XINLLCCJQZWDHA-UHFFFAOYSA-N 0 0 278.359 3.701 10 0 CHAERN C=Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000185277974 329269924 /nfs/dbraw/zinc/26/99/24/329269924.db2.gz MHSKKGSHCZQKFQ-HNNXBMFYSA-N 0 0 298.411 3.806 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N2CCCC3(CC3)C2)CC(C)(C)C1 ZINC000185376543 329271370 /nfs/dbraw/zinc/27/13/70/329271370.db2.gz CMLSUSYENQDQCE-UONOGXRCSA-N 0 0 263.425 3.851 10 0 CHAERN CCc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)o1 ZINC000186526460 329344909 /nfs/dbraw/zinc/34/49/09/329344909.db2.gz CJKCANLJGUAZKI-NSHDSACASA-N 0 0 299.374 3.992 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccs1 ZINC000186548443 329345120 /nfs/dbraw/zinc/34/51/20/329345120.db2.gz SZKPGVHSWXKXNJ-JTQLQIEISA-N 0 0 287.388 3.899 10 0 CHAERN CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548563 329345134 /nfs/dbraw/zinc/34/51/34/329345134.db2.gz WLFFXMLUZDTTFC-GHMZBOCLSA-N 0 0 261.369 3.510 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186555099 329345380 /nfs/dbraw/zinc/34/53/80/329345380.db2.gz OIOFHIMDNMOWBM-GFCCVEGCSA-N 0 0 281.359 3.837 10 0 CHAERN Cc1ccc(CN2CCCC[C@@H]2c2nccs2)c(C)n1 ZINC000186908776 329350342 /nfs/dbraw/zinc/35/03/42/329350342.db2.gz XVRDTTIRNGBKCB-OAHLLOKOSA-N 0 0 287.432 3.882 10 0 CHAERN Cc1nc(NC(=O)[C@H]2CCC[C@H]2C)ccc1Br ZINC000230058565 329362340 /nfs/dbraw/zinc/36/23/40/329362340.db2.gz FDDYFOHWNJXUGZ-SCZZXKLOSA-N 0 0 297.196 3.527 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(F)c2Cl)o1 ZINC000230645711 329367802 /nfs/dbraw/zinc/36/78/02/329367802.db2.gz VKUFHIFGRYYGOI-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)co1 ZINC000188759174 329372995 /nfs/dbraw/zinc/37/29/95/329372995.db2.gz QAESADHRQOOIOO-SECBINFHSA-N 0 0 281.714 3.872 10 0 CHAERN O=C(Nc1ccc2ccccc2c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000189837878 329389526 /nfs/dbraw/zinc/38/95/26/329389526.db2.gz GAZPZKDAUMJMDO-BRWVUGGUSA-N 0 0 296.370 3.529 10 0 CHAERN C[C@@H]1CCSCCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000190059397 329392021 /nfs/dbraw/zinc/39/20/21/329392021.db2.gz VZSINBPATDSULU-YUELXQCFSA-N 0 0 281.465 3.557 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C[C@@H]2C=CCCC2)n1 ZINC000190363402 329395476 /nfs/dbraw/zinc/39/54/76/329395476.db2.gz OAJRYZFDHLQTAJ-IPYPFGDCSA-N 0 0 290.407 3.887 10 0 CHAERN Clc1ccsc1CN[C@@H]1COc2ccccc21 ZINC000193087998 329438628 /nfs/dbraw/zinc/43/86/28/329438628.db2.gz WPWVTUWZZOVDTB-LLVKDONJSA-N 0 0 265.765 3.625 10 0 CHAERN CC[C@@H](Nc1ccncc1Br)C(C)C ZINC000165048372 329439727 /nfs/dbraw/zinc/43/97/27/329439727.db2.gz WYNDLJZPVYFZTC-SNVBAGLBSA-N 0 0 257.175 3.691 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000117956603 329546835 /nfs/dbraw/zinc/54/68/35/329546835.db2.gz WJCWTBWJANSUSU-LBPRGKRZSA-N 0 0 278.421 3.591 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccnn1C(C)C ZINC000043451882 329582238 /nfs/dbraw/zinc/58/22/38/329582238.db2.gz MQSNDWGWTFCOIM-ZDUSSCGKSA-N 0 0 286.379 3.655 10 0 CHAERN c1csc([C@@H]2CCCCN2Cc2nc3ccccc3[nH]2)n1 ZINC000127707936 329601796 /nfs/dbraw/zinc/60/17/96/329601796.db2.gz YQXFFWGCERKXIV-AWEZNQCLSA-N 0 0 298.415 3.747 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)O1 ZINC000133242284 329651600 /nfs/dbraw/zinc/65/16/00/329651600.db2.gz BHRDNUDPAAHFPR-OIISXLGYSA-N 0 0 287.403 3.698 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)O1 ZINC000134162492 329657474 /nfs/dbraw/zinc/65/74/74/329657474.db2.gz WWMGMTLGALRTEV-CRAIPNDOSA-N 0 0 295.382 3.787 10 0 CHAERN CC[C@@]1(C)C[C@@H]1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000135277646 329665371 /nfs/dbraw/zinc/66/53/71/329665371.db2.gz ASIKUNHAWQKNQI-CJNGLKHVSA-N 0 0 292.448 3.594 10 0 CHAERN Cc1ccc(N(C)C(=O)[C@@H]2CCCc3cccnc32)c(C)c1 ZINC000194098644 329684861 /nfs/dbraw/zinc/68/48/61/329684861.db2.gz YMVPHFZTXFTNHL-MRXNPFEDSA-N 0 0 294.398 3.781 10 0 CHAERN CCn1c(C)nnc1CSc1ccc(Cl)cc1 ZINC000194654878 329687756 /nfs/dbraw/zinc/68/77/56/329687756.db2.gz GJKOSSLLVKYDKO-UHFFFAOYSA-N 0 0 267.785 3.552 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cc1O ZINC000195206665 329691153 /nfs/dbraw/zinc/69/11/53/329691153.db2.gz YECDATRTCBLMOZ-NWDGAFQWSA-N 0 0 291.391 3.802 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000245671937 329722844 /nfs/dbraw/zinc/72/28/44/329722844.db2.gz HMYMJHZAASEULF-RWMBFGLXSA-N 0 0 293.407 3.563 10 0 CHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@H](C)c2c1cccc2C ZINC000246268612 329810912 /nfs/dbraw/zinc/81/09/12/329810912.db2.gz AICWNLBDXINDAF-RCBQFDQVSA-N 0 0 296.418 3.568 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccco2)o1 ZINC000069103512 329853806 /nfs/dbraw/zinc/85/38/06/329853806.db2.gz QIDSTTFGCJAIBR-NWDGAFQWSA-N 0 0 276.336 3.645 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000069369596 329853967 /nfs/dbraw/zinc/85/39/67/329853967.db2.gz BZTBMKBQCCPGRQ-CQSZACIVSA-N 0 0 287.403 3.690 10 0 CHAERN Cc1c(F)cccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000073393351 329860728 /nfs/dbraw/zinc/86/07/28/329860728.db2.gz PALUTQLVEZZTTM-HWPZZCPQSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@H]2c2nccs2)cc1C ZINC000074909224 329865603 /nfs/dbraw/zinc/86/56/03/329865603.db2.gz UNMYEDXDNSYYQR-AWEZNQCLSA-N 0 0 286.400 3.737 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C)o1 ZINC000247382179 329880008 /nfs/dbraw/zinc/88/00/08/329880008.db2.gz LMDSZILSNXPTCL-XBFCOCLRSA-N 0 0 261.365 3.552 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000249627533 329908489 /nfs/dbraw/zinc/90/84/89/329908489.db2.gz QKUFXZNPKWKCTL-IJEWVQPXSA-N 0 0 287.403 3.732 10 0 CHAERN Cc1ccc(CCNC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116555022 329920660 /nfs/dbraw/zinc/92/06/60/329920660.db2.gz GQWAWFCSOMRKDT-MRXNPFEDSA-N 0 0 298.386 3.677 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccccc3)C2)cc1 ZINC000078186300 329947216 /nfs/dbraw/zinc/94/72/16/329947216.db2.gz GREBCCXKIWDFMU-PBHICJAKSA-N 0 0 295.382 3.713 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCCCO2)c2ccccc21 ZINC000162638415 330090457 /nfs/dbraw/zinc/09/04/57/330090457.db2.gz SLWXDYXGEPONHQ-JKIFEVAISA-N 0 0 287.403 3.700 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2cscn2)c2ccccc21 ZINC000162697432 330108311 /nfs/dbraw/zinc/10/83/11/330108311.db2.gz XFOUFGLYWVQFEN-MFKMUULPSA-N 0 0 272.373 3.512 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)C2CCCC2)c2ccccc21 ZINC000162729311 330110586 /nfs/dbraw/zinc/11/05/86/330110586.db2.gz ONYCOOKOJPUQKT-LRDDRELGSA-N 0 0 257.377 3.931 10 0 CHAERN Cc1ncsc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162776950 330114694 /nfs/dbraw/zinc/11/46/94/330114694.db2.gz CQMONNFHVPVXJY-YGRLFVJLSA-N 0 0 286.400 3.820 10 0 CHAERN C[C@@H](O)[C@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000044214599 330326715 /nfs/dbraw/zinc/32/67/15/330326715.db2.gz PTTQBJNWCQTKGH-OLZOCXBDSA-N 0 0 258.317 3.627 10 0 CHAERN Fc1ccc(CN2C[C@@H]3CCC[C@@H]32)cc1Br ZINC000533081724 330331676 /nfs/dbraw/zinc/33/16/76/330331676.db2.gz QORJVQIPEJJORF-GWCFXTLKSA-N 0 0 284.172 3.573 10 0 CHAERN C[C@H](NC(=O)C1CC=CC1)c1cccc(Br)c1 ZINC000085160021 330364378 /nfs/dbraw/zinc/36/43/78/330364378.db2.gz JNXAZROPCASKDB-JTQLQIEISA-N 0 0 294.192 3.593 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CC[C@H](C)O2)cc1F ZINC000119422944 330374820 /nfs/dbraw/zinc/37/48/20/330374820.db2.gz ZEAJRQNULVNFOX-YDHLFZDLSA-N 0 0 293.382 3.659 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2ncccc2Cl)C1 ZINC000088726478 330378534 /nfs/dbraw/zinc/37/85/34/330378534.db2.gz VCUIGYYARJVJRZ-VHSXEESVSA-N 0 0 256.802 3.821 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119863359 330381013 /nfs/dbraw/zinc/38/10/13/330381013.db2.gz BWCBHAHOIWZJQG-NWDGAFQWSA-N 0 0 292.345 3.549 10 0 CHAERN CC(C)c1ccc([C@@H]2CNC(=O)C23CCCC3)cc1 ZINC000536955315 330383104 /nfs/dbraw/zinc/38/31/04/330383104.db2.gz WXFIBVSSXOYZSA-HNNXBMFYSA-N 0 0 257.377 3.584 10 0 CHAERN CCc1nc2snc(Br)c2c(C)c1C ZINC000536955438 330383122 /nfs/dbraw/zinc/38/31/22/330383122.db2.gz SWWOOVGLAWCFPR-UHFFFAOYSA-N 0 0 271.183 3.633 10 0 CHAERN CC(C)n1cc(O[C@@H]2CCC[C@H]3C[C@@H]3CCC[C@H]2O)cn1 ZINC000536956257 330383182 /nfs/dbraw/zinc/38/31/82/330383182.db2.gz XWDZVMXEJSXYQR-XJNFMUPTSA-N 0 0 292.423 3.563 10 0 CHAERN Fc1ccccc1-c1cc(C(F)(F)F)c(Cl)nn1 ZINC000536960707 330384282 /nfs/dbraw/zinc/38/42/82/330384282.db2.gz SVXXXWMPXCVJGG-UHFFFAOYSA-N 0 0 276.620 3.955 10 0 CHAERN CCCn1ccc(CNc2cc(F)cc(F)c2)c1 ZINC000091009384 330397796 /nfs/dbraw/zinc/39/77/96/330397796.db2.gz DFYXCRBYBCZZFW-UHFFFAOYSA-N 0 0 250.292 3.788 10 0 CHAERN CCn1cccc1CNc1cc(Cl)ccc1OC ZINC000091022423 330397949 /nfs/dbraw/zinc/39/79/49/330397949.db2.gz DVSLQPSIYRGVLU-UHFFFAOYSA-N 0 0 264.756 3.782 10 0 CHAERN CCc1ccccc1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000121909156 330408279 /nfs/dbraw/zinc/40/82/79/330408279.db2.gz VBIMUAVGBHEFBE-GFCCVEGCSA-N 0 0 257.333 3.641 10 0 CHAERN C[C@H](Nc1ncnc2ncccc21)c1ccc(Cl)cc1 ZINC000162907252 330824676 /nfs/dbraw/zinc/82/46/76/330824676.db2.gz AQOVHCLFMBELLC-JTQLQIEISA-N 0 0 284.750 3.851 10 0 CHAERN Cc1nc(-c2cccc(N[C@H]3CCOC[C@@H]3C)c2)cs1 ZINC000194968988 331084372 /nfs/dbraw/zinc/08/43/72/331084372.db2.gz WVEGLPGIJDOFLH-NHYWBVRUSA-N 0 0 288.416 3.955 10 0 CHAERN CCn1ccnc1CSc1nc(-c2ccccc2)co1 ZINC000195110966 331137853 /nfs/dbraw/zinc/13/78/53/331137853.db2.gz RMZVKSSTPSOQOR-UHFFFAOYSA-N 0 0 285.372 3.850 10 0 CHAERN CCCc1nc2ccccc2n1CC(O)(CC)CC ZINC000165201299 331306040 /nfs/dbraw/zinc/30/60/40/331306040.db2.gz XMNKHFJEUYKOFO-UHFFFAOYSA-N 0 0 260.381 3.540 10 0 CHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000172969237 332955824 /nfs/dbraw/zinc/95/58/24/332955824.db2.gz JEHCENJIOUAOSZ-VYDXJSESSA-N 0 0 289.419 3.534 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000174931597 333011213 /nfs/dbraw/zinc/01/12/13/333011213.db2.gz REGOORKIPBQXPR-WCBMZHEXSA-N 0 0 272.270 3.544 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3CCC[C@@H]32)o1 ZINC000175340109 333021931 /nfs/dbraw/zinc/02/19/31/333021931.db2.gz WVDKQXNMAKRJRU-MJBXVCDLSA-N 0 0 276.380 3.623 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)CCC[C@@H]2C)o1 ZINC000175340039 333021958 /nfs/dbraw/zinc/02/19/58/333021958.db2.gz GVEKIYLHRUXCOW-DYEKYZERSA-N 0 0 278.396 3.869 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000175860098 333035582 /nfs/dbraw/zinc/03/55/82/333035582.db2.gz RCLJQZSPXSVWTK-UWVGGRQHSA-N 0 0 284.762 3.734 10 0 CHAERN CC[C@@H](SCc1nnnn1C(C)C)c1ccccc1 ZINC000176901410 333050207 /nfs/dbraw/zinc/05/02/07/333050207.db2.gz NTTYODAEJBZFQL-CYBMUJFWSA-N 0 0 276.409 3.639 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)CCc2ccco2)c2ccccc21 ZINC000179079312 333079544 /nfs/dbraw/zinc/07/95/44/333079544.db2.gz JGTVVZOLCWVMTE-SUMWQHHRSA-N 0 0 283.371 3.967 10 0 CHAERN C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000087001251 333080845 /nfs/dbraw/zinc/08/08/45/333080845.db2.gz UPSXPAMLNOEZPZ-KSSFIOAISA-N 0 0 297.398 3.976 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000183607769 333121291 /nfs/dbraw/zinc/12/12/91/333121291.db2.gz BJJGHPMMIDDWLY-ZFWWWQNUSA-N 0 0 289.419 3.622 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)Cc2ccoc2)cc1 ZINC000184806242 333132256 /nfs/dbraw/zinc/13/22/56/333132256.db2.gz QCTLHVDGFFVMHV-ZDUSSCGKSA-N 0 0 271.360 3.823 10 0 CHAERN Cc1cnc([C@H](C)N[C@@H]2CCCc3ccccc32)o1 ZINC000220881980 333169974 /nfs/dbraw/zinc/16/99/74/333169974.db2.gz CMSDHVOEGNBLHL-SWLSCSKDSA-N 0 0 256.349 3.711 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(OC(C)C)c2)o1 ZINC000220911141 333170613 /nfs/dbraw/zinc/17/06/13/333170613.db2.gz AMHSKEQTOBEMHK-ZDUSSCGKSA-N 0 0 274.364 3.621 10 0 CHAERN CCCCN(C(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000189062926 333179360 /nfs/dbraw/zinc/17/93/60/333179360.db2.gz WNHCEDMXMNFFFD-HOCLYGCPSA-N 0 0 275.392 3.635 10 0 CHAERN CCCCOc1cccc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000189934985 333200702 /nfs/dbraw/zinc/20/07/02/333200702.db2.gz BJABXAFXLWYHCQ-BBRMVZONSA-N 0 0 291.391 3.619 10 0 CHAERN CC[C@@H](C)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000191124990 333215505 /nfs/dbraw/zinc/21/55/05/333215505.db2.gz AJZMKNGBOOGKTJ-GDBMZVCRSA-N 0 0 289.419 3.801 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000191579107 333221748 /nfs/dbraw/zinc/22/17/48/333221748.db2.gz CNJBSZFLDYKYLY-SWLSCSKDSA-N 0 0 295.382 3.692 10 0 CHAERN C[C@H](NC(=O)NCc1ccoc1)c1ccc2ccccc2c1 ZINC000193160388 333243735 /nfs/dbraw/zinc/24/37/35/333243735.db2.gz PFPRFUPXYAYRAH-ZDUSSCGKSA-N 0 0 294.354 3.993 10 0 CHAERN Cc1c(N[C@H]2CCOC[C@H]2C)cccc1C(F)(F)F ZINC000195078156 333244890 /nfs/dbraw/zinc/24/48/90/333244890.db2.gz OTKSZPLEVKXBJG-SKDRFNHKSA-N 0 0 273.298 3.851 10 0 CHAERN O=C(CCc1cccs1)NC1C2CC3CC(C2)CC1C3 ZINC000194084020 333265025 /nfs/dbraw/zinc/26/50/25/333265025.db2.gz VMLUOJMGCXKOGU-UHFFFAOYSA-N 0 0 289.444 3.622 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000227102711 333276120 /nfs/dbraw/zinc/27/61/20/333276120.db2.gz CGWKJPUAYCPCKY-GZMMTYOYSA-N 0 0 289.272 3.763 10 0 CHAERN c1cc2c(ccnc2N[C@H]2CCOc3ccccc32)o1 ZINC000230890099 333322237 /nfs/dbraw/zinc/32/22/37/333322237.db2.gz RSEQUTYTVODYKE-ZDUSSCGKSA-N 0 0 266.300 3.764 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000231692652 333328419 /nfs/dbraw/zinc/32/84/19/333328419.db2.gz MXJPTCFDQCRWNL-UFBFGSQYSA-N 0 0 289.272 3.763 10 0 CHAERN Cc1cnc([C@H](C)Nc2cc(C(F)(F)F)ccn2)o1 ZINC000235520865 333370452 /nfs/dbraw/zinc/37/04/52/333370452.db2.gz AIPBLGLGFWFKQK-QMMMGPOBSA-N 0 0 271.242 3.570 10 0 CHAERN CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000123370984 333481335 /nfs/dbraw/zinc/48/13/35/333481335.db2.gz PWJVVLSOXHJNFE-UKRRQHHQSA-N 0 0 293.407 3.893 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000123374717 333482705 /nfs/dbraw/zinc/48/27/05/333482705.db2.gz IBBKIGGOSBSIGF-UFBFGSQYSA-N 0 0 279.792 3.622 10 0 CHAERN CC[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(C)C ZINC000037216736 333515821 /nfs/dbraw/zinc/51/58/21/333515821.db2.gz YOKZORIERLWANN-HNNXBMFYSA-N 0 0 260.381 3.882 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2cccc(F)c2)o1 ZINC000068859863 333735864 /nfs/dbraw/zinc/73/58/64/333735864.db2.gz KIGMCEOUSLLOFS-YPMHNXCESA-N 0 0 289.350 3.783 10 0 CHAERN COc1ccc([C@H](C)C(=O)NCC2(CC(C)C)CC2)cc1 ZINC000133866590 334065743 /nfs/dbraw/zinc/06/57/43/334065743.db2.gz CQBKVQYFBSIBQM-AWEZNQCLSA-N 0 0 289.419 3.741 10 0 CHAERN CCC(CC)CNC(=O)CSCc1ccc(C)cc1 ZINC000134360911 334088938 /nfs/dbraw/zinc/08/89/38/334088938.db2.gz GHUTYICIJICIRE-UHFFFAOYSA-N 0 0 279.449 3.781 10 0 CHAERN Cc1c(NC(=O)N[C@H]2C[C@@H]2C)cccc1C(F)(F)F ZINC000135243005 334121394 /nfs/dbraw/zinc/12/13/94/334121394.db2.gz NMUZPCXVIJRVDV-CPCISQLKSA-N 0 0 272.270 3.544 10 0 CHAERN CCC1(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000078355226 334131817 /nfs/dbraw/zinc/13/18/17/334131817.db2.gz ROBGOXKSEKYRPO-SNVBAGLBSA-N 0 0 282.334 3.515 10 0 CHAERN CCC(CC)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078366863 334132268 /nfs/dbraw/zinc/13/22/68/334132268.db2.gz SBIFFDYUMPDBDC-ONGXEEELSA-N 0 0 280.334 3.595 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(N3CCCC3)nc2)C1 ZINC000080433311 334171369 /nfs/dbraw/zinc/17/13/69/334171369.db2.gz XJMQNOHGKDIMTN-UONOGXRCSA-N 0 0 259.397 3.672 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000080428881 334171491 /nfs/dbraw/zinc/17/14/91/334171491.db2.gz HYMVFNWPOSZZKN-MAUKXSAKSA-N 0 0 288.435 3.509 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCC2CC2)cc1 ZINC000081022497 334176526 /nfs/dbraw/zinc/17/65/26/334176526.db2.gz VPNBJMAXFWBHBJ-SJORKVTESA-N 0 0 271.404 3.830 10 0 CHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@H]1C ZINC000245966370 334225899 /nfs/dbraw/zinc/22/58/99/334225899.db2.gz VPGAYPGWKPITRZ-MHDGFBEUSA-N 0 0 293.357 3.573 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@@H](C)C(C)C ZINC000245999897 334227190 /nfs/dbraw/zinc/22/71/90/334227190.db2.gz CZJUTMVIZKYWNF-FPMFFAJLSA-N 0 0 295.373 3.961 10 0 CHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246347965 334252001 /nfs/dbraw/zinc/25/20/01/334252001.db2.gz HPEOAPIZAXOVBR-WRWGMCAJSA-N 0 0 292.345 3.690 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1C[C@H]1C1CC1 ZINC000246568960 334264424 /nfs/dbraw/zinc/26/44/24/334264424.db2.gz SITOWLYMDSKXAV-ONERCXAPSA-N 0 0 277.795 3.906 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)s1 ZINC000246616818 334265341 /nfs/dbraw/zinc/26/53/41/334265341.db2.gz LTJSOKPGEBMUQT-VCDKRKBESA-N 0 0 295.452 3.636 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000246748579 334268947 /nfs/dbraw/zinc/26/89/47/334268947.db2.gz JNDUVVIXJVQNMF-YSVLISHTSA-N 0 0 287.403 3.590 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)C2CC2)cc1 ZINC000246842200 334270419 /nfs/dbraw/zinc/27/04/19/334270419.db2.gz HNRLNSBZYFTZMG-OAUYIBNBSA-N 0 0 271.404 3.828 10 0 CHAERN COC(C)(C)C[C@H](C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246899819 334271487 /nfs/dbraw/zinc/27/14/87/334271487.db2.gz YVRIFNKAEWUSSM-QEJZJMRPSA-N 0 0 281.440 3.523 10 0 CHAERN C[C@@H]1CCCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000248481711 334303752 /nfs/dbraw/zinc/30/37/52/334303752.db2.gz SORONUHBKMRCEB-XBFCOCLRSA-N 0 0 293.357 3.717 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCSCC[C@@H]2C)CC(C)(C)C1 ZINC000248841841 334319295 /nfs/dbraw/zinc/31/92/95/334319295.db2.gz LSYLIEKGWNUNRN-HZSPNIEDSA-N 0 0 283.481 3.803 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)C)cc1F ZINC000249377531 334332805 /nfs/dbraw/zinc/33/28/05/334332805.db2.gz YZFJYDIZTNTYHB-FPMFFAJLSA-N 0 0 263.356 3.603 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@H]1C ZINC000251160017 334357691 /nfs/dbraw/zinc/35/76/91/334357691.db2.gz LMEUPVSLUWJDIU-IPYPFGDCSA-N 0 0 260.381 3.544 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000251335591 334359935 /nfs/dbraw/zinc/35/99/35/334359935.db2.gz LTNJXCVKKZQUKK-YLFCFFPRSA-N 0 0 295.467 3.745 10 0 CHAERN CCC[C@@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153293295 334583100 /nfs/dbraw/zinc/58/31/00/334583100.db2.gz NOOGQLGAUVNVJI-IAQYHMDHSA-N 0 0 263.356 3.756 10 0 CHAERN Cc1nc(NCC(C)(C)C)sc1C(F)(F)F ZINC000309700386 334704619 /nfs/dbraw/zinc/70/46/19/334704619.db2.gz MJJWTXGLRZAULQ-UHFFFAOYSA-N 0 0 252.305 3.928 10 0 CHAERN CSC[C@H](C)NC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000157186945 334762544 /nfs/dbraw/zinc/76/25/44/334762544.db2.gz WPMHLMJTVNIOBM-HUBLWGQQSA-N 0 0 292.448 3.676 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cncc(-c2ccccc2)c1 ZINC000159179992 334821348 /nfs/dbraw/zinc/82/13/48/334821348.db2.gz QIZUWZLXGAKCKB-ZDUSSCGKSA-N 0 0 268.360 3.523 10 0 CHAERN O=C(Nc1ccc(Cl)cn1)N1CCC[C@@H]1c1ccco1 ZINC000175872774 335212112 /nfs/dbraw/zinc/21/21/12/335212112.db2.gz KHLIHYBEGZSYOB-LLVKDONJSA-N 0 0 291.738 3.697 10 0 CHAERN CC(C)OCc1cccc(N[C@@H](C)c2cnccn2)c1 ZINC000180134027 335553552 /nfs/dbraw/zinc/55/35/52/335553552.db2.gz AHOBYQGOGORPQI-ZDUSSCGKSA-N 0 0 271.364 3.575 10 0 CHAERN Cn1c(COc2cc(Cl)cc(Cl)c2)nnc1C1CC1 ZINC000194652455 336035933 /nfs/dbraw/zinc/03/59/33/336035933.db2.gz PRVKNLKRZPTCTB-UHFFFAOYSA-N 0 0 298.173 3.578 10 0 CHAERN CCCNc1nc(-c2cccs2)nc2c1CCC2 ZINC000050848068 520186349 /nfs/dbraw/zinc/18/63/49/520186349.db2.gz RLVPGCUGCXLLES-UHFFFAOYSA-N 0 0 259.378 3.516 10 0 CHAERN CCNc1cc(C(C)C)nc(-c2cccc(F)c2)n1 ZINC000050851827 520266082 /nfs/dbraw/zinc/26/60/82/520266082.db2.gz ORNXFVSDCSBOMO-UHFFFAOYSA-N 0 0 259.328 3.838 10 0 CHAERN CCCc1nc(-c2ccc(F)cc2F)c(N)s1 ZINC000050308306 521465652 /nfs/dbraw/zinc/46/56/52/521465652.db2.gz ZGKNKTPLSPYVBF-UHFFFAOYSA-N 0 0 254.305 3.623 10 0 CHAERN C[C@@H]1CC[C@H](c2nc(-c3cnccc3C(C)(C)C)no2)O1 ZINC000333769683 534261932 /nfs/dbraw/zinc/26/19/32/534261932.db2.gz FEPVRGTWUAUJIY-ZWNOBZJWSA-N 0 0 287.363 3.669 10 0 CHAERN COC[C@H](C)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000125652352 518086183 /nfs/dbraw/zinc/08/61/83/518086183.db2.gz WCCFIHZNEMXGMG-SUMWQHHRSA-N 0 0 289.419 3.586 10 0 CHAERN Brc1ccc2c(c1)NC[C@@H](c1ccccc1)O2 ZINC000062560438 518218585 /nfs/dbraw/zinc/21/85/85/518218585.db2.gz IWQLUXQICMAFOA-AWEZNQCLSA-N 0 0 290.160 3.995 10 0 CHAERN CC(=O)c1cnc(N2CCC(C(C)(C)C)CC2)s1 ZINC000054862537 518480286 /nfs/dbraw/zinc/48/02/86/518480286.db2.gz QRNKYBXWMJBJJS-UHFFFAOYSA-N 0 0 266.410 3.608 10 0 CHAERN CC(C)(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129902763 518588985 /nfs/dbraw/zinc/58/89/85/518588985.db2.gz DPXZUSGZHWEUED-CQSZACIVSA-N 0 0 287.403 3.985 10 0 CHAERN CC(C)(C)C1CCC(CNCC(F)(F)F)CC1 ZINC000054667912 518605974 /nfs/dbraw/zinc/60/59/74/518605974.db2.gz YHEZPTUWMSSEDX-UHFFFAOYSA-N 0 0 251.336 3.991 10 0 CHAERN CC(C)(C)c1ccc([C@@H](CC(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000057601724 519048392 /nfs/dbraw/zinc/04/83/92/519048392.db2.gz BGXMGNPJSAFHNZ-MRXNPFEDSA-N 0 0 289.419 3.986 10 0 CHAERN CC(C)=C(F)C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000151060010 519389480 /nfs/dbraw/zinc/38/94/80/519389480.db2.gz TWFHWDLGTYTKLX-NWDGAFQWSA-N 0 0 265.328 3.843 10 0 CHAERN CC(C)Cc1[nH]nc(N)c1-c1ccccc1Br ZINC000055334002 519452744 /nfs/dbraw/zinc/45/27/44/519452744.db2.gz PLRFSYXENROKKO-UHFFFAOYSA-N 0 0 294.196 3.620 10 0 CHAERN CC(C)[N@H+](Cc1cccs1)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062754889 519661942 /nfs/dbraw/zinc/66/19/42/519661942.db2.gz KGNMFDHHBOECAJ-KBPBESRZSA-N 0 0 281.421 3.602 10 0 CHAERN CC(C)CN(CC(C)C)c1nc2c(s1)[C@H](O)CCC2 ZINC000054911616 519713758 /nfs/dbraw/zinc/71/37/58/519713758.db2.gz AZZSDACQXQBPLZ-CYBMUJFWSA-N 0 0 282.453 3.631 10 0 CHAERN CC(C)[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)O ZINC000061688632 519796023 /nfs/dbraw/zinc/79/60/23/519796023.db2.gz DGPHVTZUNYZOTM-ZWNOBZJWSA-N 0 0 276.298 3.781 10 0 CHAERN CC(C)[C@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061277230 519821807 /nfs/dbraw/zinc/82/18/07/519821807.db2.gz WMNVDCZPGZDWHD-AWEZNQCLSA-N 0 0 273.405 3.836 10 0 CHAERN CC(C)c1cc(N)nc(-c2ccc(F)c(Cl)c2)n1 ZINC000062793267 519832886 /nfs/dbraw/zinc/83/28/86/519832886.db2.gz ACEKFPHRPOZGLN-UHFFFAOYSA-N 0 0 265.719 3.642 10 0 CHAERN CCC1CCC(Nc2ccccc2S(=O)(=O)CC)CC1 ZINC000037124433 519857097 /nfs/dbraw/zinc/85/70/97/519857097.db2.gz LKTCRXMQLWWZBS-UHFFFAOYSA-N 0 0 295.448 3.861 10 0 CHAERN CCC1CCN(Cc2nc3sccc3c(Cl)n2)CC1 ZINC000050840136 519859659 /nfs/dbraw/zinc/85/96/59/519859659.db2.gz XGXIDRACMXBBSN-UHFFFAOYSA-N 0 0 295.839 3.967 10 0 CHAERN CC(C)c1nc(CSc2c(N)cccc2Cl)no1 ZINC000049336401 519865055 /nfs/dbraw/zinc/86/50/55/519865055.db2.gz XSXSNNIHGIVAGE-UHFFFAOYSA-N 0 0 283.784 3.721 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1-c1ccc(F)cc1 ZINC000052842899 519868949 /nfs/dbraw/zinc/86/89/49/519868949.db2.gz QVJGMHGVCODLOD-UHFFFAOYSA-N 0 0 269.323 3.870 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1Cc1ccccc1F ZINC000052842036 519869291 /nfs/dbraw/zinc/86/92/91/519869291.db2.gz CXAIISHECULUAM-UHFFFAOYSA-N 0 0 283.350 3.929 10 0 CHAERN CCCC1CCN(c2n[nH]c(=S)n2C(C)C)CC1 ZINC000050905049 519904029 /nfs/dbraw/zinc/90/40/29/519904029.db2.gz AREWVEHBNWHUPJ-UHFFFAOYSA-N 0 0 268.430 3.538 10 0 CHAERN CC(C)n1ccnc1CN1c2ccccc2SC[C@H]1C ZINC000150815455 520030514 /nfs/dbraw/zinc/03/05/14/520030514.db2.gz PUFZFUXUTBRKOX-CYBMUJFWSA-N 0 0 287.432 3.965 10 0 CHAERN CCCNc1ccc(-c2nc3ccccc3s2)nn1 ZINC000054931229 520139900 /nfs/dbraw/zinc/13/99/00/520139900.db2.gz RORMAUYKCNXOJA-UHFFFAOYSA-N 0 0 270.361 3.575 10 0 CHAERN CCCNc1ccc(CO[C@H]2CCCC[C@@H]2C)cn1 ZINC000050831728 520160264 /nfs/dbraw/zinc/16/02/64/520160264.db2.gz IZPYXRCZBBQQJA-ZFWWWQNUSA-N 0 0 262.397 3.999 10 0 CHAERN CCCNc1ncccc1COc1ccc(C)cc1 ZINC000052754751 520195828 /nfs/dbraw/zinc/19/58/28/520195828.db2.gz DDERDHDVOAKLJF-UHFFFAOYSA-N 0 0 256.349 3.791 10 0 CHAERN CCNc1cc(CC)nc(-c2ccc(C)cc2C)n1 ZINC000050865156 520269879 /nfs/dbraw/zinc/26/98/79/520269879.db2.gz MUHOJPDUOBSECP-UHFFFAOYSA-N 0 0 255.365 3.755 10 0 CHAERN CCCCC[C@@H](C)NC(=O)c1ccccc1NCC ZINC000050790508 520287577 /nfs/dbraw/zinc/28/75/77/520287577.db2.gz AYZCICJOHWKPSH-CYBMUJFWSA-N 0 0 262.397 3.817 10 0 CHAERN CCCCN(c1c(F)cc(CO)cc1F)[C@@H](C)CC ZINC000062722283 520551606 /nfs/dbraw/zinc/55/16/06/520551606.db2.gz KJMGUBFBRYBHCP-NSHDSACASA-N 0 0 271.351 3.862 10 0 CHAERN CCC[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000129039310 520615557 /nfs/dbraw/zinc/61/55/57/520615557.db2.gz KLKVMSVJRMMFJN-DGCLKSJQSA-N 0 0 287.325 3.712 10 0 CHAERN CC1(C)[C@H](Nc2cccc(-c3cnco3)c2)[C@H]2CCCO[C@@H]21 ZINC000151815789 520674102 /nfs/dbraw/zinc/67/41/02/520674102.db2.gz YHNVHPHYEVNZHU-OIISXLGYSA-N 0 0 298.386 3.957 10 0 CHAERN CCC[C@@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061277221 520797877 /nfs/dbraw/zinc/79/78/77/520797877.db2.gz VTZLHUJSEPSDIG-CYBMUJFWSA-N 0 0 273.405 3.980 10 0 CHAERN CCC[C@@H](O)[C@@H](CC)n1cc(-c2ccccc2)cn1 ZINC000054961758 520809781 /nfs/dbraw/zinc/80/97/81/520809781.db2.gz MJKKBWBOKXTOLK-HZPDHXFCSA-N 0 0 258.365 3.662 10 0 CHAERN CC1CCC(Nc2ccc(C(N)=S)c(Cl)c2)CC1 ZINC000061849107 520954576 /nfs/dbraw/zinc/95/45/76/520954576.db2.gz LMGDNPVPRYMQQV-UHFFFAOYSA-N 0 0 282.840 3.965 10 0 CHAERN CCC[C@H](CC)NC(=O)N(CCC)CCc1ccccn1 ZINC000105202474 521075431 /nfs/dbraw/zinc/07/54/31/521075431.db2.gz MQURWAPHEGIYHN-HNNXBMFYSA-N 0 0 291.439 3.624 10 0 CHAERN CCOC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)C(C)C ZINC000045923691 521084767 /nfs/dbraw/zinc/08/47/67/521084767.db2.gz QJEITRUHFRWUQB-HNNXBMFYSA-N 0 0 278.392 3.951 10 0 CHAERN CCC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000054401485 521274116 /nfs/dbraw/zinc/27/41/16/521274116.db2.gz VGQYRQGMGHNXQF-UHFFFAOYSA-N 0 0 274.286 3.662 10 0 CHAERN CCN(c1c(F)cc(C=O)cc1F)C1CCCC1 ZINC000062707240 521478511 /nfs/dbraw/zinc/47/85/11/521478511.db2.gz FUIKFUPWRGMNBF-UHFFFAOYSA-N 0 0 253.292 3.546 10 0 CHAERN CCN(c1ccc(F)cc1)c1cc(Cl)nc(C)n1 ZINC000052837420 521489396 /nfs/dbraw/zinc/48/93/96/521489396.db2.gz IKHHHBODVZENBF-UHFFFAOYSA-N 0 0 265.719 3.736 10 0 CHAERN CCCc1nc2cc(C)c(Br)cc2o1 ZINC000062536909 521541777 /nfs/dbraw/zinc/54/17/77/521541777.db2.gz LHRDWJCYBIDTCM-UHFFFAOYSA-N 0 0 254.127 3.851 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](CC)c1cccs1 ZINC000049531464 521570301 /nfs/dbraw/zinc/57/03/01/521570301.db2.gz ZERXBKOHYLGORF-VIFPVBQESA-N 0 0 267.423 3.580 10 0 CHAERN CCOc1ccccc1[C@@H](O)c1ccc(C)c(F)c1 ZINC000055240224 521580200 /nfs/dbraw/zinc/58/02/00/521580200.db2.gz BOTRXPUTXOHJNR-INIZCTEOSA-N 0 0 260.308 3.615 10 0 CHAERN CCOc1nc(Cl)nc(Sc2ccc(C)cc2C)n1 ZINC000061517555 521605216 /nfs/dbraw/zinc/60/52/16/521605216.db2.gz QFSDQDIWSKLREG-UHFFFAOYSA-N 0 0 295.795 3.692 10 0 CHAERN CCc1nc(CN2CCC[C@H]2c2csc(C)n2)cs1 ZINC000189806591 522311378 /nfs/dbraw/zinc/31/13/78/522311378.db2.gz QMPRCJLLHNNTLP-ZDUSSCGKSA-N 0 0 293.461 3.808 10 0 CHAERN CNc1c(C)c(C)nc2c(OC)cc(OC)c(Cl)c21 ZINC000050869368 522542919 /nfs/dbraw/zinc/54/29/19/522542919.db2.gz XQBVONJARJGYMT-UHFFFAOYSA-N 0 0 280.755 3.564 10 0 CHAERN CNc1ccc(Cl)c(CO[C@@H]2CCC[C@@H](C)C2)n1 ZINC000061640389 522624620 /nfs/dbraw/zinc/62/46/20/522624620.db2.gz UWKYRYAQOVOJDQ-GHMZBOCLSA-N 0 0 268.788 3.872 10 0 CHAERN COc1cc(N)ccc1OCc1ccc(F)cc1Cl ZINC000050505204 522627740 /nfs/dbraw/zinc/62/77/40/522627740.db2.gz OXVVXTMLMUAZST-UHFFFAOYSA-N 0 0 281.714 3.649 10 0 CHAERN CN(CC1CCCCC1)c1nc2c(s1)C(=O)CCC2 ZINC000054863687 522655001 /nfs/dbraw/zinc/65/50/01/522655001.db2.gz FLEYHAGJODSTBP-UHFFFAOYSA-N 0 0 278.421 3.679 10 0 CHAERN CNc1nc(CSC(C)(C)C)nc2sccc21 ZINC000050833686 522683324 /nfs/dbraw/zinc/68/33/24/522683324.db2.gz MDZWHMVFKNOKDC-UHFFFAOYSA-N 0 0 267.423 3.765 10 0 CHAERN CC[C@H](Nc1noc(-c2ccccc2)n1)c1ccncc1 ZINC000157697962 522780611 /nfs/dbraw/zinc/78/06/11/522780611.db2.gz QLKACKWKCLAGHB-AWEZNQCLSA-N 0 0 280.331 3.695 10 0 CHAERN CC[C@H](c1cccs1)n1c(=S)[nH]nc1C1CC1 ZINC000049531469 522951592 /nfs/dbraw/zinc/95/15/92/522951592.db2.gz LJJXUQMBFYEBFW-SECBINFHSA-N 0 0 265.407 3.879 10 0 CHAERN CCc1oc(C(=O)N2CCC[C@H]2c2ccco2)cc1C ZINC000156088876 522975467 /nfs/dbraw/zinc/97/54/67/522975467.db2.gz PUWCTHPANSMOIG-LBPRGKRZSA-N 0 0 273.332 3.721 10 0 CHAERN CC[C@H]1CCCCN1c1ccc(Cl)cc1C(N)=S ZINC000052858107 523031215 /nfs/dbraw/zinc/03/12/15/523031215.db2.gz ABWVBNMNDKJDPL-NSHDSACASA-N 0 0 282.840 3.743 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061518613 523044495 /nfs/dbraw/zinc/04/44/95/523044495.db2.gz MTOKIJMCEOKUIQ-YUMQZZPRSA-N 0 0 275.183 3.559 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1cc(C)nc(Cl)n1 ZINC000052813859 523064897 /nfs/dbraw/zinc/06/48/97/523064897.db2.gz FJODYUXAZJIPFM-WDEREUQCSA-N 0 0 254.761 3.786 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC ZINC000050747057 523164880 /nfs/dbraw/zinc/16/48/80/523164880.db2.gz DDVDEVFDFXEZSH-GFCCVEGCSA-N 0 0 280.799 3.786 10 0 CHAERN CCc1c(N)n(C)nc1C1CCC(C(C)(C)C)CC1 ZINC000054668068 523722325 /nfs/dbraw/zinc/72/23/25/523722325.db2.gz JNAMUQOQZQNVRT-UHFFFAOYSA-N 0 0 263.429 3.885 10 0 CHAERN CCc1ccc(CC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000156200991 523904488 /nfs/dbraw/zinc/90/44/88/523904488.db2.gz GAZBXPTYWPOJNM-MRXNPFEDSA-N 0 0 283.371 3.748 10 0 CHAERN Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c1Cl ZINC000336063261 534743935 /nfs/dbraw/zinc/74/39/35/534743935.db2.gz AYQDSQNUEPMHFB-CMPLNLGQSA-N 0 0 264.756 3.665 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccon2)o1 ZINC000121033023 524053216 /nfs/dbraw/zinc/05/32/16/524053216.db2.gz CCNFBMCQIDVUOD-GFCCVEGCSA-N 0 0 289.335 3.589 10 0 CHAERN CCc1ccc([C@](C)(O)c2cc(F)ccc2C)cc1 ZINC000055193030 524057157 /nfs/dbraw/zinc/05/71/57/524057157.db2.gz FXTONNRKUGTRLQ-KRWDZBQOSA-N 0 0 258.336 3.952 10 0 CHAERN C[C@H]1CCC[C@@H](Oc2ccc(C(N)=S)cc2Cl)C1 ZINC000062796441 524151461 /nfs/dbraw/zinc/15/14/61/524151461.db2.gz FTIXCVUJCKOAIY-GXSJLCMTSA-N 0 0 283.824 3.932 10 0 CHAERN Cc1cccc(/C=C\C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000050826429 524152431 /nfs/dbraw/zinc/15/24/31/524152431.db2.gz QKLNDSNIOZPRFD-KTKRTIGZSA-N 0 0 277.327 3.523 10 0 CHAERN C[C@H]1CCC[C@@](O)(Cc2c(F)cccc2Cl)C1 ZINC000049346177 524175230 /nfs/dbraw/zinc/17/52/30/524175230.db2.gz KUTKACQMRLSIKS-HZMBPMFUSA-N 0 0 256.748 3.963 10 0 CHAERN C[C@H]1CCC[C@H](SCC(=O)c2cccn2C)C1 ZINC000054692776 524210761 /nfs/dbraw/zinc/21/07/61/524210761.db2.gz UVJBYBBMYHYSRF-RYUDHWBXSA-N 0 0 251.395 3.520 10 0 CHAERN Cc1cccc(C)c1OCCCC(C)(C)C(N)=S ZINC000057901498 524310290 /nfs/dbraw/zinc/31/02/90/524310290.db2.gz AJUGZWZBJKPOIE-UHFFFAOYSA-N 0 0 265.422 3.775 10 0 CHAERN C[C@@H]1CCC[C@H](SCCOc2cccc(N)c2)C1 ZINC000054689486 524413466 /nfs/dbraw/zinc/41/34/66/524413466.db2.gz OPFPFEWTACBNGL-DOMZBBRYSA-N 0 0 265.422 3.960 10 0 CHAERN COc1ccccc1N(C)c1ccc([C@@H](C)O)cc1 ZINC000049966824 524527799 /nfs/dbraw/zinc/52/77/99/524527799.db2.gz XPISTHIBEWGJNV-GFCCVEGCSA-N 0 0 257.333 3.516 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)C1CCCC1 ZINC000129808248 524585824 /nfs/dbraw/zinc/58/58/24/524585824.db2.gz GZGYRJZFGPJLGM-UHFFFAOYSA-N 0 0 261.365 3.850 10 0 CHAERN COc1ccc(NC(=O)c2cccs2)c(Cl)c1 ZINC000065811646 524648207 /nfs/dbraw/zinc/64/82/07/524648207.db2.gz UJISKNHXDJCQLK-UHFFFAOYSA-N 0 0 267.737 3.662 10 0 CHAERN O=C1O/C(=C/Oc2ccc(Cl)cc2)c2ccccc21 ZINC000101511025 534804185 /nfs/dbraw/zinc/80/41/85/534804185.db2.gz OWQAGXZHFLAPIA-NTEUORMPSA-N 0 0 272.687 3.888 10 0 CHAERN C[C@H](Cc1ccco1)Nc1cccc2ncccc21 ZINC000062769494 524748864 /nfs/dbraw/zinc/74/88/64/524748864.db2.gz DMPKXJSMTHUGIB-GFCCVEGCSA-N 0 0 252.317 3.871 10 0 CHAERN Cc1ccc(F)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000227281641 524809162 /nfs/dbraw/zinc/80/91/62/524809162.db2.gz WWRXUXGKPILFNI-INIZCTEOSA-N 0 0 271.335 3.748 10 0 CHAERN Cc1ccc(F)c([C@@H](O)c2cccc(Cl)c2)c1 ZINC000055201102 524835876 /nfs/dbraw/zinc/83/58/76/524835876.db2.gz SBLCJMASDYLKNB-AWEZNQCLSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2c2ccco2)c(C)c1 ZINC000049374668 524882811 /nfs/dbraw/zinc/88/28/11/524882811.db2.gz HMUOIWJHWGGXEZ-UONOGXRCSA-N 0 0 269.344 3.663 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)CC(C)(C)C)c21 ZINC000103128930 524920057 /nfs/dbraw/zinc/92/00/57/524920057.db2.gz DOASRCLADJDVST-UHFFFAOYSA-N 0 0 272.392 3.571 10 0 CHAERN C[C@H](NC(=O)CC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000055745065 524922645 /nfs/dbraw/zinc/92/26/45/524922645.db2.gz XZZRRYOFAJXQKR-LURJTMIESA-N 0 0 283.652 3.609 10 0 CHAERN Cc1cc(N(C)Cc2ccccc2F)ccc1C=O ZINC000050569530 525029903 /nfs/dbraw/zinc/02/99/03/525029903.db2.gz IMYSZSNMMQCQNA-UHFFFAOYSA-N 0 0 257.308 3.583 10 0 CHAERN Cc1ccccc1CN(C)c1ccc(C=O)cc1C ZINC000050544912 525130765 /nfs/dbraw/zinc/13/07/65/525130765.db2.gz RAJPOSIPOXMLEA-UHFFFAOYSA-N 0 0 253.345 3.752 10 0 CHAERN Cc1ccc(NC(=O)c2cccc3c2NCCC3)cc1 ZINC000050957421 525245079 /nfs/dbraw/zinc/24/50/79/525245079.db2.gz NYGTVVHVBNGKOD-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000084524624 525260779 /nfs/dbraw/zinc/26/07/79/525260779.db2.gz AALZHIPZGBNJNQ-IYOUNJFTSA-N 0 0 297.398 3.627 10 0 CHAERN Cc1ccc(N[C@@H](CO)c2ccc(F)cc2C)cc1 ZINC000050580685 525311823 /nfs/dbraw/zinc/31/18/23/525311823.db2.gz AOQHIOXXOWPFIJ-INIZCTEOSA-N 0 0 259.324 3.588 10 0 CHAERN C[C@@H](NC(=O)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 ZINC000243480454 525330062 /nfs/dbraw/zinc/33/00/62/525330062.db2.gz NOHJAXCRYUKNAS-CYBMUJFWSA-N 0 0 294.398 3.639 10 0 CHAERN COc1ccc([C@H](O)c2cc(C)ccc2F)cc1Cl ZINC000052998829 525378778 /nfs/dbraw/zinc/37/87/78/525378778.db2.gz ISLSCCULZHTYIH-HNNXBMFYSA-N 0 0 280.726 3.878 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(c3cccc(C)n3)C2)cc1 ZINC000157638360 525427913 /nfs/dbraw/zinc/42/79/13/525427913.db2.gz BSPOGVRYVKOAKY-HOCLYGCPSA-N 0 0 282.387 3.781 10 0 CHAERN Cc1ccc(Oc2c(F)cc(C[NH3+])cc2F)cc1C ZINC000062720379 525471653 /nfs/dbraw/zinc/47/16/53/525471653.db2.gz XODCGUVTJJJEHZ-UHFFFAOYSA-N 0 0 263.287 3.833 10 0 CHAERN Cc1cc2c(n1[C@H](C)c1ccsc1)CCC[C@@H]2O ZINC000061367051 525622119 /nfs/dbraw/zinc/62/21/19/525622119.db2.gz YDIMLRANZDOFPA-ABAIWWIYSA-N 0 0 261.390 3.837 10 0 CHAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000156597445 525628216 /nfs/dbraw/zinc/62/82/16/525628216.db2.gz WUMCPUAGAYJSLO-BEFAXECRSA-N 0 0 289.382 3.917 10 0 CHAERN C[C@@H]1[C@@H](C)CCCN1c1ccc(C(F)(F)F)cc1N ZINC000050564017 525644109 /nfs/dbraw/zinc/64/41/09/525644109.db2.gz GHCIZPXVMRKPHT-VHSXEESVSA-N 0 0 272.314 3.912 10 0 CHAERN C[C@H](Nc1ccccc1Cl)C(=O)N1CCCCCC1 ZINC000058384664 525673359 /nfs/dbraw/zinc/67/33/59/525673359.db2.gz MIJPGEFYHGCEGT-LBPRGKRZSA-N 0 0 280.799 3.543 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cc2cccs2)o1 ZINC000077687906 525707090 /nfs/dbraw/zinc/70/70/90/525707090.db2.gz JTCUYKMPYAPQQA-CMPLNLGQSA-N 0 0 292.404 3.641 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2)o1 ZINC000057465508 525711381 /nfs/dbraw/zinc/71/13/81/525711381.db2.gz ALBBNDMNJHKJHO-ZIAGYGMSSA-N 0 0 287.359 3.541 10 0 CHAERN C[C@@H](Nc1ccnc(C(N)=S)c1)c1ccc(Cl)cc1 ZINC000061812955 525721376 /nfs/dbraw/zinc/72/13/76/525721376.db2.gz XNNDTLCRQKGQPB-SECBINFHSA-N 0 0 291.807 3.542 10 0 CHAERN C[C@@H](Nc1nccc(C(C)(C)C)n1)c1cccc(O)c1 ZINC000292754132 525729629 /nfs/dbraw/zinc/72/96/29/525729629.db2.gz KOCWQHVLTIQENZ-LLVKDONJSA-N 0 0 271.364 3.653 10 0 CHAERN Cc1ccc([C@@H](C)n2c(=S)[nH]nc2C(C)C)o1 ZINC000049219597 525754517 /nfs/dbraw/zinc/75/45/17/525754517.db2.gz OBABEGJLGKMYTL-SECBINFHSA-N 0 0 251.355 3.575 10 0 CHAERN Cc1ccc([C@@H](C)n2c(=S)[nH]nc2C2CC2)s1 ZINC000049184578 525754616 /nfs/dbraw/zinc/75/46/16/525754616.db2.gz SDURNUBIQKZDFM-MRVPVSSYSA-N 0 0 265.407 3.797 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)n2C)o1 ZINC000129187394 525802951 /nfs/dbraw/zinc/80/29/51/525802951.db2.gz UUIWMPCGMQYPOA-AWEZNQCLSA-N 0 0 286.375 3.602 10 0 CHAERN Cc1ccc(-c2nc([C@H]3CCCCS3)no2)c(O)c1 ZINC000161652763 525820266 /nfs/dbraw/zinc/82/02/66/525820266.db2.gz AJQPFZOZIOXUDZ-GFCCVEGCSA-N 0 0 276.361 3.709 10 0 CHAERN C[C@H](O)c1ccccc1NCc1ccc(Br)o1 ZINC000049542050 525862499 /nfs/dbraw/zinc/86/24/99/525862499.db2.gz OPDIEDKFLCMVBI-VIFPVBQESA-N 0 0 296.164 3.708 10 0 CHAERN C[C@@H](O)c1ccccc1NCc1ccc(Br)o1 ZINC000049542051 525873052 /nfs/dbraw/zinc/87/30/52/525873052.db2.gz OPDIEDKFLCMVBI-SECBINFHSA-N 0 0 296.164 3.708 10 0 CHAERN Cc1ccsc1[C@@H](O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755844 525873325 /nfs/dbraw/zinc/87/33/25/525873325.db2.gz CIAAFJMDSARTIS-AWEZNQCLSA-N 0 0 274.385 3.852 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)o1 ZINC000057465499 525906411 /nfs/dbraw/zinc/90/64/11/525906411.db2.gz ALBBNDMNJHKJHO-KBPBESRZSA-N 0 0 287.359 3.541 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccccc2)o1 ZINC000112042449 525907030 /nfs/dbraw/zinc/90/70/30/525907030.db2.gz BMYYNPZZKPEVAP-OCCSQVGLSA-N 0 0 271.360 3.644 10 0 CHAERN Cc1ccc([C@H](C)Nc2nc(Cl)nc(Cl)n2)cc1 ZINC000061518744 525949356 /nfs/dbraw/zinc/94/93/56/525949356.db2.gz YLLJKOGEFLWXEK-QMMMGPOBSA-N 0 0 283.162 3.660 10 0 CHAERN C[C@@H](SC1CCCC1)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000062829208 525967747 /nfs/dbraw/zinc/96/77/47/525967747.db2.gz PDPNEEXBZGVZJB-SECBINFHSA-N 0 0 298.839 3.925 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC2(C)C)o1 ZINC000125130979 525992806 /nfs/dbraw/zinc/99/28/06/525992806.db2.gz OJCCKSPBZVKDBT-CHWSQXEVSA-N 0 0 261.365 3.688 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccco2)o1 ZINC000127690849 525995030 /nfs/dbraw/zinc/99/50/30/525995030.db2.gz YMHWWLTTXXFEAI-GFCCVEGCSA-N 0 0 259.305 3.548 10 0 CHAERN COc1cccc(COc2ccc(N)c(Cl)c2)c1 ZINC000050470666 526062100 /nfs/dbraw/zinc/06/21/00/526062100.db2.gz WUEAXOFRYFSMNE-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN C[C@H](c1ccccc1Cl)N(C)c1ncc(C=O)s1 ZINC000062027746 526112604 /nfs/dbraw/zinc/11/26/04/526112604.db2.gz FKPVWFWUTANEFU-SECBINFHSA-N 0 0 280.780 3.806 10 0 CHAERN C[C@H](c1cccs1)N(C)c1c(F)cc(N)cc1F ZINC000049727153 526154984 /nfs/dbraw/zinc/15/49/84/526154984.db2.gz ILYMRQSGORLAAC-MRVPVSSYSA-N 0 0 268.332 3.806 10 0 CHAERN Cc1ccc(C(N)=S)c(N[C@@H](C)Cc2ccsc2)c1 ZINC000051597030 526255172 /nfs/dbraw/zinc/25/51/72/526255172.db2.gz QIAVFSLHMYBPGC-NSHDSACASA-N 0 0 290.457 3.734 10 0 CHAERN Cc1ccc(C(N)=S)c(N[C@H](C)c2ccsc2)c1 ZINC000061367648 526255210 /nfs/dbraw/zinc/25/52/10/526255210.db2.gz ZQKYPAXIDMLKIL-SNVBAGLBSA-N 0 0 276.430 3.864 10 0 CHAERN C[C@H]1CCCC[C@H]1N(C)c1cccc(Cl)c1C(N)=S ZINC000052907138 526261411 /nfs/dbraw/zinc/26/14/11/526261411.db2.gz SHHRFZODFYSFLI-CMPLNLGQSA-N 0 0 296.867 3.989 10 0 CHAERN O[C@H](c1ccccc1OC(F)(F)F)C1CCCC1 ZINC000055202613 526301223 /nfs/dbraw/zinc/30/12/23/526301223.db2.gz KSVJNBOPUZDXLT-LBPRGKRZSA-N 0 0 260.255 3.809 10 0 CHAERN O[C@H]1CCc2c1cccc2OCc1ccc(Cl)s1 ZINC000062800890 526314725 /nfs/dbraw/zinc/31/47/25/526314725.db2.gz ITCMUJQPBBZGNW-LBPRGKRZSA-N 0 0 280.776 3.960 10 0 CHAERN O=C([O-])[C@H](c1csc2ccccc21)[NH+]1CCCCC1 ZINC000054465731 526316953 /nfs/dbraw/zinc/31/69/53/526316953.db2.gz QIEYTMMJDFXFSQ-AWEZNQCLSA-N 0 0 275.373 3.513 10 0 CHAERN Fc1ccc2sc(NCc3nccs3)nc2c1 ZINC000049534227 526380618 /nfs/dbraw/zinc/38/06/18/526380618.db2.gz XDGKMFPVFBSVDG-UHFFFAOYSA-N 0 0 265.338 3.504 10 0 CHAERN c1ccc2c(c1)CC[C@H]2Nc1nc2ccccc2o1 ZINC000042632343 526505863 /nfs/dbraw/zinc/50/58/63/526505863.db2.gz WRADTWKEYIAFGK-CYBMUJFWSA-N 0 0 250.301 3.927 10 0 CHAERN Cc1nc(-c2ccc(Cl)c(F)c2)[nH]c(=O)c1C(C)C ZINC000061688372 526570863 /nfs/dbraw/zinc/57/08/63/526570863.db2.gz AMTIUGVFXAZBMB-UHFFFAOYSA-N 0 0 280.730 3.661 10 0 CHAERN Cc1nc(-c2cccc(Cl)c2Cl)nc(N)c1C ZINC000050867420 526584610 /nfs/dbraw/zinc/58/46/10/526584610.db2.gz ASVOITUKMMMEFK-UHFFFAOYSA-N 0 0 268.147 3.649 10 0 CHAERN Cc1nc(CNc2ccc(SC(F)F)cc2)c[nH]1 ZINC000054821663 526899525 /nfs/dbraw/zinc/89/95/25/526899525.db2.gz HBRFZMCQAXFACQ-UHFFFAOYSA-N 0 0 269.320 3.645 10 0 CHAERN Cc1nc(Cc2c(Cl)cccc2Cl)ncc1[C@@H](C)O ZINC000054963234 526926506 /nfs/dbraw/zinc/92/65/06/526926506.db2.gz WJTYUCAOUXAGKL-SECBINFHSA-N 0 0 297.185 3.736 10 0 CHAERN Cc1nc(Cc2ccc(F)cc2Cl)sc1[C@@H](C)O ZINC000062608694 526928114 /nfs/dbraw/zinc/92/81/14/526928114.db2.gz UJEJYPIMAVMGFF-MRVPVSSYSA-N 0 0 285.771 3.888 10 0 CHAERN O=C1CCCC[C@H]1c1cccc(Br)c1 ZINC000062624955 526973682 /nfs/dbraw/zinc/97/36/82/526973682.db2.gz FIZBQUWTWGNXBC-NSHDSACASA-N 0 0 253.139 3.676 10 0 CHAERN Clc1cncc(N[C@@H]2CCCc3ccccc32)n1 ZINC000048738502 526999502 /nfs/dbraw/zinc/99/95/02/526999502.db2.gz RMZHQGCJWFKMTA-GFCCVEGCSA-N 0 0 259.740 3.620 10 0 CHAERN Clc1nc2ccccc2c(NCCc2cccs2)n1 ZINC000052811460 527006820 /nfs/dbraw/zinc/00/68/20/527006820.db2.gz WAMLJNJEQKRGLA-UHFFFAOYSA-N 0 0 289.791 3.999 10 0 CHAERN O=C1C[C@H]2CCC[C@@H](C1)N2c1cccc(Br)c1 ZINC000054600783 527034038 /nfs/dbraw/zinc/03/40/38/527034038.db2.gz PSASAMNHNMEJMX-BETUJISGSA-N 0 0 294.192 3.540 10 0 CHAERN Cc1nc2c(o1)c(Cl)cc(Br)c2C ZINC000062538936 527102862 /nfs/dbraw/zinc/10/28/62/527102862.db2.gz WEDPWRLLCKZZMM-UHFFFAOYSA-N 0 0 260.518 3.861 10 0 CHAERN NC(=S)c1c(Cl)cccc1NCc1cccc(F)c1 ZINC000052904471 527113507 /nfs/dbraw/zinc/11/35/07/527113507.db2.gz FABIYXBRAAPVOU-UHFFFAOYSA-N 0 0 294.782 3.725 10 0 CHAERN NC(=S)c1ccc(Cl)cc1NCC1CCCC1 ZINC000062788047 527118917 /nfs/dbraw/zinc/11/89/17/527118917.db2.gz NSNNZXLSUVGIFZ-UHFFFAOYSA-N 0 0 268.813 3.576 10 0 CHAERN O=C(Nc1ccc(F)nc1F)[C@H]1C[C@@H]1C1CCCCC1 ZINC000193711013 527219887 /nfs/dbraw/zinc/21/98/87/527219887.db2.gz ANXGKLUVLQSNCU-MNOVXSKESA-N 0 0 280.318 3.515 10 0 CHAERN Nc1cc(Cl)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000050599157 527451516 /nfs/dbraw/zinc/45/15/16/527451516.db2.gz HLPXQRHMVJOMIS-CYBMUJFWSA-N 0 0 272.779 3.916 10 0 CHAERN Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000054405264 527472028 /nfs/dbraw/zinc/47/20/28/527472028.db2.gz NQDINXMYDRRKRQ-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN Cc1ncsc1-c1cccc(Br)c1 ZINC000057539630 527472110 /nfs/dbraw/zinc/47/21/10/527472110.db2.gz WYQQFFGNGRQNLH-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Nc1ccc(OCc2c(F)cccc2Cl)c(F)c1 ZINC000049345085 527497359 /nfs/dbraw/zinc/49/73/59/527497359.db2.gz GDBRRDQTLZPUNU-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Nc1ccc2c(c1)nc(C(F)(F)F)n2-c1cccc(F)c1 ZINC000052842769 527507506 /nfs/dbraw/zinc/50/75/06/527507506.db2.gz CGVQLWNIRQSIHD-UHFFFAOYSA-N 0 0 295.239 3.766 10 0 CHAERN Nc1ccc2oc(COc3cccc(Cl)c3)nc2c1 ZINC000051018436 527510902 /nfs/dbraw/zinc/51/09/02/527510902.db2.gz ZTXDTSPRLGCICU-UHFFFAOYSA-N 0 0 274.707 3.642 10 0 CHAERN Cc1ncsc1[C@@H](C)NCc1ccc(F)cc1F ZINC000051016965 527517498 /nfs/dbraw/zinc/51/74/98/527517498.db2.gz UJDMJCYNGRLNIQ-MRVPVSSYSA-N 0 0 268.332 3.581 10 0 CHAERN Nc1cccc(Cl)c1NC(=O)c1ccc(Cl)s1 ZINC000051171153 527518162 /nfs/dbraw/zinc/51/81/62/527518162.db2.gz FYUFKGZOSHOOEI-UHFFFAOYSA-N 0 0 287.171 3.889 10 0 CHAERN Nc1cccc(Cl)c1Oc1cccc(F)c1F ZINC000062611166 527518254 /nfs/dbraw/zinc/51/82/54/527518254.db2.gz FZXDEQSNJITFBG-UHFFFAOYSA-N 0 0 255.651 3.993 10 0 CHAERN OCCCCCNc1cc(C(F)(F)F)ccc1Cl ZINC000049879008 527536473 /nfs/dbraw/zinc/53/64/73/527536473.db2.gz KZBLZVBOKZMCFR-UHFFFAOYSA-N 0 0 281.705 3.933 10 0 CHAERN OCc1cnc(-c2ccc(Cl)cc2Cl)s1 ZINC000062201611 527640928 /nfs/dbraw/zinc/64/09/28/527640928.db2.gz ZYRYQKIMUIKCRZ-UHFFFAOYSA-N 0 0 260.145 3.609 10 0 CHAERN O[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000054446220 527663814 /nfs/dbraw/zinc/66/38/14/527663814.db2.gz LHYJDDAUEUQCFU-NSHDSACASA-N 0 0 256.223 3.575 10 0 CHAERN O[C@@H]1CCCCC[C@@H]1c1ccccc1OC(F)(F)F ZINC000055230219 527667419 /nfs/dbraw/zinc/66/74/19/527667419.db2.gz HLYPEQPNBOIUIN-ZYHUDNBSSA-N 0 0 274.282 3.994 10 0 CHAERN O[C@H](CC(F)(F)F)c1ccccc1C(F)(F)F ZINC000055233662 527682155 /nfs/dbraw/zinc/68/21/55/527682155.db2.gz NPDBXRZFIHAZCS-MRVPVSSYSA-N 0 0 258.161 3.691 10 0 CHAERN FC(F)(F)c1ccn(CCNc2ccc(Cl)cc2)n1 ZINC000053533603 527687554 /nfs/dbraw/zinc/68/75/54/527687554.db2.gz SIHDNGPYTJMZAT-UHFFFAOYSA-N 0 0 289.688 3.667 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)cc1Cl ZINC000087407229 527697426 /nfs/dbraw/zinc/69/74/26/527697426.db2.gz OYZHDELUDSEEPC-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN CC1(C)CC(Nc2cc(Cl)cc3c2OCC(=O)N3)C1 ZINC000329387693 528891648 /nfs/dbraw/zinc/89/16/48/528891648.db2.gz SXFUNTDTTLUTDQ-UHFFFAOYSA-N 0 0 280.755 3.921 10 0 CHAERN CC(C)(C)c1ccc2c(c1)C[C@@H](O)[C@H](C(C)(C)C)N2 ZINC000725268441 567924063 /nfs/dbraw/zinc/92/40/63/567924063.db2.gz QVLYQFMVGKHRDU-HUUCEWRRSA-N 0 0 261.409 3.728 10 0 CHAERN CCCCCCc1nc2cc(CCC)cc(O)n2n1 ZINC000725243111 570255261 /nfs/dbraw/zinc/25/52/61/570255261.db2.gz LDOCWRTYASZVIN-UHFFFAOYSA-N 0 0 261.369 3.510 10 0 CHAERN Cc1ccc2c(Cl)ncc(Br)c2c1 ZINC000082767441 570349112 /nfs/dbraw/zinc/34/91/12/570349112.db2.gz APCFIRAAJJOJLQ-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Oc1cc2ccc(Br)cc2nc1CC1CC1 ZINC000685963253 570406793 /nfs/dbraw/zinc/40/67/93/570406793.db2.gz KDAIWJUWPVPGCE-UHFFFAOYSA-N 0 0 278.149 3.655 10 0 CHAERN Clc1ccc2c(c1)N[C@@H](c1ccsc1)CO2 ZINC000328579422 566897618 /nfs/dbraw/zinc/89/76/18/566897618.db2.gz HNXOJLSCLWKVMX-LLVKDONJSA-N 0 0 251.738 3.947 10 0 CHAERN CC[C@H](C)NC(=O)c1cncc(-c2cc(C)ccc2C)c1 ZINC000036346950 566996458 /nfs/dbraw/zinc/99/64/58/566996458.db2.gz OYARMELPPDNUSV-AWEZNQCLSA-N 0 0 282.387 3.894 10 0 CHAERN CC(=O)O[C@@H]1CCCCCCCCCC[C@@H]1C1OCCO1 ZINC000048523827 567091101 /nfs/dbraw/zinc/09/11/01/567091101.db2.gz YSEIGAWXYFYXOY-JKSUJKDBSA-N 0 0 298.423 3.822 10 0 CHAERN Cn1ncc(-c2ccc(Br)cc2)c1C(F)F ZINC000616579259 567212663 /nfs/dbraw/zinc/21/26/63/567212663.db2.gz RZKZCMUOMUXQAG-UHFFFAOYSA-N 0 0 287.107 3.787 10 0 CHAERN COc1ccc([C@H]2C[C@@H]3C[C@@H](c4ccccc4)N2O3)cc1 ZINC000000088205 567817755 /nfs/dbraw/zinc/81/77/55/567817755.db2.gz HMVKUDOMJCCSHK-OKZBNKHCSA-N 0 0 281.355 3.887 10 0 CHAERN C[C@@]12[C@H]3CC[C@]1(C)OC(=O)N2Cc1ccccc1C3(C)C ZINC000000140036 567820070 /nfs/dbraw/zinc/82/00/70/567820070.db2.gz NNHHRFVHHXMVBU-JCGIZDLHSA-N 0 0 285.387 3.857 10 0 CHAERN CCOP(=O)(OCC)SCCSCC ZINC000002015522 567844073 /nfs/dbraw/zinc/84/40/73/567844073.db2.gz GRPRVIYRYGLIJU-UHFFFAOYSA-N 0 0 258.345 3.654 10 0 in-vitro CHAERN Cc1cc(Br)ccc1NCC(F)(F)F ZINC000020042902 567845703 /nfs/dbraw/zinc/84/57/03/567845703.db2.gz USLVCGOGEIWHNN-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN CC(C)(C)OC(=O)Nc1cscc1Br ZINC000002575614 567848308 /nfs/dbraw/zinc/84/83/08/567848308.db2.gz PBMARQLXQZRXFG-UHFFFAOYSA-N 0 0 278.171 3.858 10 0 CHAERN C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCc3cc(O)ccc3[C@@H]21 ZINC000004369819 567857068 /nfs/dbraw/zinc/85/70/68/567857068.db2.gz DMSFWIJHZMGIJI-MEMQEAPTSA-N 0 0 286.415 3.855 10 0 CHAERN CO[C@@H]1OCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]21 ZINC000027550862 567883257 /nfs/dbraw/zinc/88/32/57/567883257.db2.gz ZRMYQEWJUHSZKS-NHIYQJMISA-N 0 0 250.382 3.768 10 0 biogenic CHAERN Brc1c2ccccc2nc2c1CCCC2 ZINC000066340346 567899792 /nfs/dbraw/zinc/89/97/92/567899792.db2.gz ZJPQYDJYNNEYHL-UHFFFAOYSA-N 0 0 262.150 3.876 10 0 CHAERN CC(C)[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265580 567923549 /nfs/dbraw/zinc/92/35/49/567923549.db2.gz KUEZLOMFVIWPHO-NSHDSACASA-N 0 0 258.340 3.977 10 0 CHAERN CCC[C@@H]1CCc2[nH]nc(-c3ccc(F)nc3)c2C1 ZINC000725265750 567923583 /nfs/dbraw/zinc/92/35/83/567923583.db2.gz YIABOSWXJIKLAT-SNVBAGLBSA-N 0 0 259.328 3.516 10 0 CHAERN CCC(C)(C)c1nc2cccc(Cl)c2cc1NN ZINC000725268605 567924078 /nfs/dbraw/zinc/92/40/78/567924078.db2.gz WQWWTOBOSQQFMY-UHFFFAOYSA-N 0 0 263.772 3.861 10 0 CHAERN CC[C@H](C)[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@H]1O ZINC000725267980 567924116 /nfs/dbraw/zinc/92/41/16/567924116.db2.gz DNBVSSKVKJQHAL-IUIKQTSFSA-N 0 0 261.409 3.728 10 0 CHAERN C[C@@H]1CCc2nc(-c3cccc(Br)c3)cn2C1 ZINC000258591911 567930941 /nfs/dbraw/zinc/93/09/41/567930941.db2.gz VEOQZKYZANUZRT-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN C[C@H]1CCc2nc(-c3ccc(Cl)s3)cn2C1 ZINC000258249372 567931023 /nfs/dbraw/zinc/93/10/23/567931023.db2.gz HOPLRZVJWLSPCZ-QMMMGPOBSA-N 0 0 252.770 3.847 10 0 CHAERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)c1cccs1 ZINC000000135900 567935466 /nfs/dbraw/zinc/93/54/66/567935466.db2.gz CNTWOTIESFUYFU-YVLXSGLVSA-N 0 0 263.406 3.693 10 0 CHAERN COc1c(C(C)(C)C)cc(P)cc1C(C)(C)C ZINC000141640942 570272159 /nfs/dbraw/zinc/27/21/59/570272159.db2.gz CJOKEBSOENDORD-UHFFFAOYSA-N 0 0 252.338 3.791 10 0 CHAERN Cn1ncc(N)c1-c1cc(Cl)c(Cl)c(Cl)c1 ZINC000675069901 570366547 /nfs/dbraw/zinc/36/65/47/570366547.db2.gz JKHSEKSPOWHXFX-UHFFFAOYSA-N 0 0 276.554 3.630 10 0 CHAERN CCCCN=[S@@](=O)(c1cccc(N)c1)N(CC)CCC ZINC000675074647 570367478 /nfs/dbraw/zinc/36/74/78/570367478.db2.gz HCXHNLBPWJBMPG-FQEVSTJZSA-N 0 0 297.468 3.543 10 0 CHAERN C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(C)(C)C ZINC000685959465 570406527 /nfs/dbraw/zinc/40/65/27/570406527.db2.gz XDKFPOSKQKZREZ-CYBMUJFWSA-N 0 0 291.391 3.554 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(/C=C/Br)CC1 ZINC000606297939 570408257 /nfs/dbraw/zinc/40/82/57/570408257.db2.gz SJDSFQOGWBCCFH-QPJJXVBHSA-N 0 0 290.201 3.542 10 0 CHAERN CCC(C)(C)[C@H](C)[NH2+]Cc1cc(C(=O)[O-])sc1C ZINC000695127375 976782840 /nfs/dbraw/zinc/78/28/40/976782840.db2.gz VCMAIKOVNKDNOA-JTQLQIEISA-N 0 0 269.410 3.669 10 0 CHAERN C[N@H+](Cc1csc(C(=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000701907647 977052712 /nfs/dbraw/zinc/05/27/12/977052712.db2.gz WXIMVPPFZQSBFK-UHFFFAOYSA-N 0 0 295.791 3.732 10 0 CHAERN Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])s2)c1 ZINC000706233821 977311003 /nfs/dbraw/zinc/31/10/03/977311003.db2.gz FIWMNGUVRUBYTR-GFCCVEGCSA-N 0 0 289.400 3.914 10 0 CHAERN CC(C)(C)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000708555633 977435624 /nfs/dbraw/zinc/43/56/24/977435624.db2.gz NDJMIYLMIOOKSE-GJZGRUSLSA-N 0 0 275.392 3.570 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711630476 977558565 /nfs/dbraw/zinc/55/85/65/977558565.db2.gz QYWKVCMBHNAKNV-XFJVYGCCSA-N 0 0 293.794 3.730 10 0 CHAERN C[C@H]1c2sccc2CC[N@H+]1Cc1csc(C(=O)[O-])c1 ZINC000712351565 977581227 /nfs/dbraw/zinc/58/12/27/977581227.db2.gz LPLAJFPQEMANLI-VIFPVBQESA-N 0 0 293.413 3.627 10 0 CHAERN CSCCC(=O)OCCc1ccccc1C(F)(F)F ZINC000105776305 1123071284 /nfs/dbraw/zinc/07/12/84/1123071284.db2.gz NPKKNPHYLKJIPE-UHFFFAOYSA-N 0 0 292.322 3.544 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2cnc(Cl)s2)cs1 ZINC000189853725 1126935868 /nfs/dbraw/zinc/93/58/68/1126935868.db2.gz PZRIMASRPNQTAV-NSHDSACASA-N 0 0 299.852 3.899 10 0 CHAERN Cc1ccc(CN(C)[C@@H](C)c2nc(C(C)(C)C)no2)s1 ZINC000102773388 1118208894 /nfs/dbraw/zinc/20/88/94/1118208894.db2.gz VCGUADNXXSMRDY-NSHDSACASA-N 0 0 293.436 3.930 10 0 CHAERN C/C(=C/c1ccc(C)cc1)C(=O)N(C)Cc1ccc(C)o1 ZINC000588397540 1118540612 /nfs/dbraw/zinc/54/06/12/1118540612.db2.gz VLIOWYHYSHNICT-KAMYIIQDSA-N 0 0 283.371 3.958 10 0 CHAERN Cc1nc(Cl)cc(Cc2ccc(Br)cc2)n1 ZINC000409431569 1118544850 /nfs/dbraw/zinc/54/48/50/1118544850.db2.gz RGUVTMUIPQFBCS-UHFFFAOYSA-N 0 0 297.583 3.792 10 0 CHAERN Fc1ccc(-c2cc(C(F)F)nc(Cl)n2)cc1 ZINC000409431988 1118545330 /nfs/dbraw/zinc/54/53/30/1118545330.db2.gz SHAOKOIXLOOLCT-UHFFFAOYSA-N 0 0 258.630 3.874 10 0 CHAERN COc1ccc(/C=C(/C)C(=O)OCc2ccoc2)cc1F ZINC000588447113 1118764230 /nfs/dbraw/zinc/76/42/30/1118764230.db2.gz UFRHRGOAROIYEZ-XFFZJAGNSA-N 0 0 290.290 3.574 10 0 CHAERN Cc1cc(C)c(CNC(=O)/C=C\c2ncccc2C)c(C)c1 ZINC000588451697 1118797247 /nfs/dbraw/zinc/79/72/47/1118797247.db2.gz KGAHBCDBHUSWTI-FPLPWBNLSA-N 0 0 294.398 3.645 10 0 CHAERN CC[C@H](NC(=O)/C=C\c1ncccc1C)c1ccc(C)cc1 ZINC000588451529 1118797352 /nfs/dbraw/zinc/79/73/52/1118797352.db2.gz KGXDZGQIHZHVOD-CPFIRTDXSA-N 0 0 294.398 3.979 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCCCc1ccccc1 ZINC000588451196 1118797984 /nfs/dbraw/zinc/79/79/84/1118797984.db2.gz GEJZJIDWUJEGCY-QXMHVHEDSA-N 0 0 281.355 3.579 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Oc1cccc2ncccc21 ZINC000588452008 1118798597 /nfs/dbraw/zinc/79/85/97/1118798597.db2.gz ILWMKCSFTWPRPY-KTKRTIGZSA-N 0 0 290.322 3.557 10 0 CHAERN CCN(C(=O)/C=C\c1ncccc1C)[C@@H]1CCCC[C@H]1C ZINC000588452651 1118798891 /nfs/dbraw/zinc/79/88/91/1118798891.db2.gz MBVNEUAJQMYZBJ-MUEZYAOPSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000588453142 1118799186 /nfs/dbraw/zinc/79/91/86/1118799186.db2.gz FRUWCXHSDZPSDF-HLRDLLSLSA-N 0 0 286.419 3.688 10 0 CHAERN C/C(=C/C(=O)OC[C@@H]1CCO[C@H]1c1ccccc1)C1CC1 ZINC000588485393 1118920165 /nfs/dbraw/zinc/92/01/65/1118920165.db2.gz CEKIXCNOHCICGT-JJGVHMAHSA-N 0 0 286.371 3.664 10 0 CHAERN CC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)c1nccs1 ZINC000588498260 1119003953 /nfs/dbraw/zinc/00/39/53/1119003953.db2.gz IEBYDNZXCYOHAG-DWOQACPDSA-N 0 0 266.410 3.703 10 0 CHAERN CCOc1ccc(CNC(=O)/C(C)=C\C(C)(C)C)cc1F ZINC000588497977 1119004596 /nfs/dbraw/zinc/00/45/96/1119004596.db2.gz WRYHQRURAQSYIB-BENRWUELSA-N 0 0 293.382 3.833 10 0 CHAERN Cc1cccc2c1OCC[C@H]2NC(=O)/C=C\c1ccccc1 ZINC000588569184 1119318554 /nfs/dbraw/zinc/31/85/54/1119318554.db2.gz ZQIBPFAPDBZPNS-QXPKXGMISA-N 0 0 293.366 3.648 10 0 CHAERN C/C=C(/CC)C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000588573112 1119331197 /nfs/dbraw/zinc/33/11/97/1119331197.db2.gz ILJZOTQWWHQLKB-XFQLMFQHSA-N 0 0 280.371 3.971 10 0 CHAERN O=C1CCC[C@H](c2nc(CCC3CCCCC3)no2)N1 ZINC000329731540 1119490910 /nfs/dbraw/zinc/49/09/10/1119490910.db2.gz GUBBWFDPWQOJHE-GFCCVEGCSA-N 0 0 277.368 3.764 10 0 CHAERN O=C1CCC[C@@H](c2nc(CCC3CCCCC3)no2)N1 ZINC000329731541 1119491072 /nfs/dbraw/zinc/49/10/72/1119491072.db2.gz GUBBWFDPWQOJHE-LBPRGKRZSA-N 0 0 277.368 3.764 10 0 CHAERN C/C(=C/C(=O)OCc1cc(C)sn1)c1ccccc1 ZINC000588600300 1119531361 /nfs/dbraw/zinc/53/13/61/1119531361.db2.gz LZWRPIVSAIGXBZ-FLIBITNWSA-N 0 0 273.357 3.598 10 0 CHAERN CC[C@H](C)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103845819 1122259633 /nfs/dbraw/zinc/25/96/33/1122259633.db2.gz PAAWBIBPNFNAQH-JTQLQIEISA-N 0 0 286.331 3.566 10 0 CHAERN Cc1nc(COC(=O)[C@@]2(C)CCCc3ccccc32)oc1C ZINC000101712639 1122849486 /nfs/dbraw/zinc/84/94/86/1122849486.db2.gz OLWAOUFAEZZDFP-SFHVURJKSA-N 0 0 299.370 3.629 10 0 CHAERN CC(C)OCCC(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000102132348 1122885967 /nfs/dbraw/zinc/88/59/67/1122885967.db2.gz ZCINEZLIZVWVTQ-CYBMUJFWSA-N 0 0 287.359 3.654 10 0 CHAERN CN(Cc1ccc(F)cc1)c1cccc(Cl)n1 ZINC000104122377 1122976179 /nfs/dbraw/zinc/97/61/79/1122976179.db2.gz DRBDNPKQJIZLBE-UHFFFAOYSA-N 0 0 250.704 3.511 10 0 CHAERN CC[C@H](COC(=O)Cc1csc(C)n1)c1ccccc1 ZINC000105775297 1123071074 /nfs/dbraw/zinc/07/10/74/1123071074.db2.gz XONLNZNKLBQWLJ-CYBMUJFWSA-N 0 0 289.400 3.731 10 0 CHAERN CC1(C)C[C@@H]1c1noc([C@H]2CC23CCSCC3)n1 ZINC000334541511 1123249589 /nfs/dbraw/zinc/24/95/89/1123249589.db2.gz DGJISUGCQVOVNB-NXEZZACHSA-N 0 0 264.394 3.584 10 0 CHAERN Cc1ccc(Cc2nc([C@H]3C[C@H](C)C[C@H](C)C3)no2)cn1 ZINC000329732522 1123651596 /nfs/dbraw/zinc/65/15/96/1123651596.db2.gz QGHMRWMQVMAEPW-JYAVWHMHSA-N 0 0 285.391 3.904 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@@H]2CCC(C)(C)O2)n1 ZINC000329754120 1123652856 /nfs/dbraw/zinc/65/28/56/1123652856.db2.gz KORRBQJDLLQOCZ-UPJWGTAASA-N 0 0 294.395 3.795 10 0 CHAERN COc1ccccc1CCN(C)C(=O)C1CCCCCC1 ZINC000104461255 1123802233 /nfs/dbraw/zinc/80/22/33/1123802233.db2.gz CSHUELCVBMVXQI-UHFFFAOYSA-N 0 0 289.419 3.667 10 0 CHAERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1C[C@@H]1C ZINC000184469366 1129630991 /nfs/dbraw/zinc/63/09/91/1129630991.db2.gz PPTNBORBSWHPME-CABZTGNLSA-N 0 0 287.388 3.648 10 0 CHAERN CCCCOc1ccccc1COC(=O)c1cscn1 ZINC000103674898 1131968012 /nfs/dbraw/zinc/96/80/12/1131968012.db2.gz ITBCTYXVMKTRIS-UHFFFAOYSA-N 0 0 291.372 3.679 10 0 CHAERN CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](F)C1 ZINC000095616799 185016283 /nfs/dbraw/zinc/01/62/83/185016283.db2.gz IUMVQRATLMCWIX-UONOGXRCSA-N 0 0 279.355 3.749 10 0 CHAERN CC(C)(C)Oc1cc(OC2CC2)c(Br)cn1 ZINC000095721086 185019644 /nfs/dbraw/zinc/01/96/44/185019644.db2.gz IQUZPMXVXNIWDE-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)c1cc(OC2CC2)cnc1Br ZINC000095727805 185021270 /nfs/dbraw/zinc/02/12/70/185021270.db2.gz LSSUENVFRVVZNZ-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN COc1ccc([C@H](C)Nc2nc(Cl)ncc2C)cc1 ZINC000082501470 178066310 /nfs/dbraw/zinc/06/63/10/178066310.db2.gz SELOOVZZSKQIIZ-JTQLQIEISA-N 0 0 277.755 3.620 10 0 CHAERN FC(F)(F)C(F)(F)[C@]1(c2ccccc2)CCCCN1 ZINC000095918542 185030653 /nfs/dbraw/zinc/03/06/53/185030653.db2.gz WWLRITZRPVWXPB-LLVKDONJSA-N 0 0 279.252 3.853 10 0 CHAERN O=C1CCCC[C@H](C(F)(F)F)N1c1ccccc1 ZINC000095930778 185032869 /nfs/dbraw/zinc/03/28/69/185032869.db2.gz MYUVADPVCRERST-LLVKDONJSA-N 0 0 257.255 3.525 10 0 CHAERN CSC1=NN(c2ccccc2)[C@H](C)N1c1ccccc1 ZINC000095933135 185033227 /nfs/dbraw/zinc/03/32/27/185033227.db2.gz QKKCRWJOWFZHIF-CYBMUJFWSA-N 0 0 283.400 3.993 10 0 CHAERN CSc1nc(Cl)c2c(n1)-c1ccccc1CC2 ZINC000095935570 185033428 /nfs/dbraw/zinc/03/34/28/185033428.db2.gz ZCCSPQOHGQIIRB-UHFFFAOYSA-N 0 0 262.765 3.618 10 0 CHAERN CC(C)OC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000095936609 185034099 /nfs/dbraw/zinc/03/40/99/185034099.db2.gz NVHRDYAODYJOGX-XQRVVYSFSA-N 0 0 259.132 3.958 10 0 CHAERN COc1ccc(C)cc1-c1ccc(CC(C)=O)cc1 ZINC000082708931 178218873 /nfs/dbraw/zinc/21/88/73/178218873.db2.gz SUZCTDWVRJWBNO-UHFFFAOYSA-N 0 0 254.329 3.802 10 0 CHAERN CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000082717648 178233284 /nfs/dbraw/zinc/23/32/84/178233284.db2.gz AVOQGKBDYMURFD-SECBINFHSA-N 0 0 272.097 3.686 10 0 CHAERN O=Cc1cc2cc(C(F)(F)F)ccc2nc1Cl ZINC000083236060 178363884 /nfs/dbraw/zinc/36/38/84/178363884.db2.gz AWVDGJWCAZCSIJ-UHFFFAOYSA-N 0 0 259.614 3.720 10 0 CHAERN Oc1cccc(NCc2ccc(Cl)cc2F)c1 ZINC000083385640 178394412 /nfs/dbraw/zinc/39/44/12/178394412.db2.gz IZFJPMSNJXSMBX-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1ccc(CNc2cc(F)ccc2Cl)cc1 ZINC000083385654 178395000 /nfs/dbraw/zinc/39/50/00/178395000.db2.gz OLQFTINPXDGBBE-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN COc1ccc2c(c1)c(OC(C)=O)cn2Cc1ccccc1 ZINC000096675609 185109927 /nfs/dbraw/zinc/10/99/27/185109927.db2.gz WZBILYKLKDOTKH-UHFFFAOYSA-N 0 0 295.338 3.624 10 0 CHAERN COc1ccc(N(C)c2cc(Cl)ccc2CO)cc1 ZINC000096910981 185129124 /nfs/dbraw/zinc/12/91/24/185129124.db2.gz QZGXGAIVITUVSU-UHFFFAOYSA-N 0 0 277.751 3.609 10 0 CHAERN COc1cc(C)c(I)cc1C(C)C ZINC000096934395 185133009 /nfs/dbraw/zinc/13/30/09/185133009.db2.gz JKKFIFSQRFCVTG-UHFFFAOYSA-N 0 0 290.144 3.732 10 0 CHAERN CN(C)C(=O)c1ccc(CSc2ccccc2F)cc1 ZINC000096942284 185134106 /nfs/dbraw/zinc/13/41/06/185134106.db2.gz ZLIMBZHKZZTSSH-UHFFFAOYSA-N 0 0 289.375 3.820 10 0 CHAERN Brc1nc2c(s1)CCc1ccccc1-2 ZINC000096948110 185137521 /nfs/dbraw/zinc/13/75/21/185137521.db2.gz IALUAFKDCNUQSQ-UHFFFAOYSA-N 0 0 266.163 3.671 10 0 CHAERN FC(F)(F)c1c[nH]c2ccc(Br)cc21 ZINC000096948923 185137966 /nfs/dbraw/zinc/13/79/66/185137966.db2.gz YOQAQRDSKKSISV-UHFFFAOYSA-N 0 0 264.044 3.949 10 0 CHAERN Nc1cc(Br)cc2[nH]c(-c3ccccc3)nc21 ZINC000096974985 185144339 /nfs/dbraw/zinc/14/43/39/185144339.db2.gz OVCLZRKDZYVIAQ-UHFFFAOYSA-N 0 0 288.148 3.575 10 0 CHAERN CCc1ncnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000301927392 529762329 /nfs/dbraw/zinc/76/23/29/529762329.db2.gz NGISDSJYSUOWGF-DTWKUNHWSA-N 0 0 291.292 3.711 10 0 CHAERN Fc1ccc(-c2[nH]nc3c2cnc2ccccc32)cc1 ZINC000085346598 179029240 /nfs/dbraw/zinc/02/92/40/179029240.db2.gz RSKGDPJUJSDRGY-UHFFFAOYSA-N 0 0 263.275 3.917 10 0 CHAERN CC(C)(C)C(=O)Nc1cc(F)ccc1-c1ccccn1 ZINC000098178367 185698345 /nfs/dbraw/zinc/69/83/45/185698345.db2.gz JDMOBPVQUSTBRF-UHFFFAOYSA-N 0 0 272.323 3.872 10 0 CHAERN C[C@@H](c1ccc(N)cc1)N1CCCc2ccccc21 ZINC000019731136 136578001 /nfs/dbraw/zinc/57/80/01/136578001.db2.gz OXLVGSNIJHLUFV-ZDUSSCGKSA-N 0 0 252.361 3.783 10 0 CHAERN CC(C)c1nnc(Cl)n1-c1cccc2cnccc21 ZINC000103922786 185861149 /nfs/dbraw/zinc/86/11/49/185861149.db2.gz WLEQNSZRIATOHM-UHFFFAOYSA-N 0 0 272.739 3.592 10 0 CHAERN Cc1cccc(-n2c3cc(F)ccc3[nH]c2=S)c1 ZINC000104162568 185914210 /nfs/dbraw/zinc/91/42/10/185914210.db2.gz BNCOFJQGJWODGG-UHFFFAOYSA-N 0 0 258.321 3.762 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1c(N)cccc1F ZINC000104173834 185916813 /nfs/dbraw/zinc/91/68/13/185916813.db2.gz NVFIPWRYBRURTB-GWCFXTLKSA-N 0 0 265.328 3.534 10 0 CHAERN Cc1nc(Cl)c(C)c(N[C@H](C)CCc2ccco2)n1 ZINC000104222989 185935452 /nfs/dbraw/zinc/93/54/52/185935452.db2.gz CJDASWPMUIYKOK-SECBINFHSA-N 0 0 279.771 3.773 10 0 CHAERN CCOC(CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)OCC ZINC000104365609 185985533 /nfs/dbraw/zinc/98/55/33/185985533.db2.gz RUPPSDUHMDUIJV-RBSFLKMASA-N 0 0 272.429 3.863 10 0 CHAERN C[C@H]1CCCC[C@@H]1N(C)C(=O)c1c(N)cccc1Cl ZINC000104416245 185994439 /nfs/dbraw/zinc/99/44/39/185994439.db2.gz XJPXTYVCSADMAQ-GWCFXTLKSA-N 0 0 280.799 3.573 10 0 CHAERN Cc1cc2c(c(C)c1Br)[C@H](C)[C@H](C)O2 ZINC000090411872 179982378 /nfs/dbraw/zinc/98/23/78/179982378.db2.gz UKBMCTOSVDSVJB-APPZFPTMSA-N 0 0 255.155 3.950 10 0 CHAERN COc1ccc(C[C@H](O)C[C@@H](C)C(C)(C)C)cc1 ZINC000104432906 186000234 /nfs/dbraw/zinc/00/02/34/186000234.db2.gz OEJFADQAIFQHDM-TZMCWYRMSA-N 0 0 250.382 3.671 10 0 CHAERN COc1ccc(C[C@@H](O)C[C@H](C)C(C)(C)C)cc1 ZINC000104432895 186000264 /nfs/dbraw/zinc/00/02/64/186000264.db2.gz OEJFADQAIFQHDM-JSGCOSHPSA-N 0 0 250.382 3.671 10 0 CHAERN COc1ncc(-c2ccc(N(C)C)cc2)c2c(O)cccc12 ZINC000090555769 180003681 /nfs/dbraw/zinc/00/36/81/180003681.db2.gz YTDJFSXZXYSTTP-UHFFFAOYSA-N 0 0 294.354 3.682 10 0 CHAERN Nc1cc(-c2ccc(Br)s2)cs1 ZINC000104596594 186009810 /nfs/dbraw/zinc/00/98/10/186009810.db2.gz AJETUYVPUHFWEP-UHFFFAOYSA-N 0 0 260.181 3.821 10 0 CHAERN O=C1[C@@H](C2=CCCCC2)CCN1Cc1ccccc1 ZINC000091302110 180129407 /nfs/dbraw/zinc/12/94/07/180129407.db2.gz NSNNOOKXGDPCTB-MRXNPFEDSA-N 0 0 255.361 3.536 10 0 CHAERN ClC(Cl)(Cl)Oc1ccc(Br)cn1 ZINC000091366362 180143108 /nfs/dbraw/zinc/14/31/08/180143108.db2.gz HOYBMQSPTLSTJV-UHFFFAOYSA-N 0 0 291.359 3.551 10 0 CHAERN COC(=O)c1ccc2c(c1)C(C)(C)C[C@H](c1cccnc1)N2 ZINC000091692158 180228454 /nfs/dbraw/zinc/22/84/54/180228454.db2.gz ZABMLZVHQQNOHJ-MRXNPFEDSA-N 0 0 296.370 3.703 10 0 CHAERN Cc1coc(N)c1-c1ccc(Br)cc1 ZINC000106519521 186124021 /nfs/dbraw/zinc/12/40/21/186124021.db2.gz JKZMVMNKKWCMBT-UHFFFAOYSA-N 0 0 252.111 3.600 10 0 CHAERN C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)[C@H]1C ZINC000107476815 186174597 /nfs/dbraw/zinc/17/45/97/186174597.db2.gz SPYHDNNZFCMOCO-GSFROLOWSA-N 0 0 299.414 3.576 10 0 CHAERN C[C@H](O)c1c(F)cccc1N1CCC[C@H](C)CC1 ZINC000110806140 186326722 /nfs/dbraw/zinc/32/67/22/186326722.db2.gz ZIQINZUMCMDJQX-RYUDHWBXSA-N 0 0 251.345 3.505 10 0 CHAERN Cc1cc2c(nc(-c3ccccn3)nc2Cl)s1 ZINC000110921634 186332083 /nfs/dbraw/zinc/33/20/83/186332083.db2.gz ORKQHNXBQXVUTL-UHFFFAOYSA-N 0 0 261.737 3.715 10 0 CHAERN CNc1ccc(COc2c(C)cc(C)cc2C)cn1 ZINC000050833406 522612042 /nfs/dbraw/zinc/61/20/42/522612042.db2.gz VUKLXYQSNZZMLB-UHFFFAOYSA-N 0 0 256.349 3.628 10 0 CHAERN C[C@@H](NC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000253575088 189994754 /nfs/dbraw/zinc/99/47/54/189994754.db2.gz UFDDCYOBLUJEHF-SNVBAGLBSA-N 0 0 260.337 3.754 10 0 CHAERN CCOC(=O)c1cccc(NCc2ccccc2)c1C ZINC000000259035 169589613 /nfs/dbraw/zinc/58/96/13/169589613.db2.gz WUWMLFFAWIFXJF-UHFFFAOYSA-N 0 0 269.344 3.784 10 0 CHAERN CN(c1ccccc1)c1ncccc1Br ZINC000042376202 184553560 /nfs/dbraw/zinc/55/35/60/184553560.db2.gz DHLFBZDWLNMEEO-UHFFFAOYSA-N 0 0 263.138 3.612 10 0 CHAERN CC1CCN(C(=O)/C(Cl)=C/c2ccccc2)CC1 ZINC000000492142 169655533 /nfs/dbraw/zinc/65/55/33/169655533.db2.gz ZJAIRHYBUPSENZ-KAMYIIQDSA-N 0 0 263.768 3.525 10 0 CHAERN O[C@@H]1CCCC[C@@H]1c1ccccc1OC(F)(F)F ZINC000055230083 256724182 /nfs/dbraw/zinc/72/41/82/256724182.db2.gz YQDZZDXWFCDICT-MWLCHTKSSA-N 0 0 260.255 3.604 10 0 CHAERN Nc1cccc2c(NC(=O)[C@@H]3CC34CCC4)cccc12 ZINC000002843196 256776763 /nfs/dbraw/zinc/77/67/63/256776763.db2.gz JODGYHXSTUNWKG-ZDUSSCGKSA-N 0 0 266.344 3.551 10 0 CHAERN CN(C(=O)N[C@@H]1CCCc2cc(F)ccc21)C1CCCC1 ZINC000179640379 260059779 /nfs/dbraw/zinc/05/97/79/260059779.db2.gz QJLHDOHWVDMJMK-MRXNPFEDSA-N 0 0 290.382 3.787 10 0 CHAERN C[C@@H](O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000095089300 184940493 /nfs/dbraw/zinc/94/04/93/184940493.db2.gz ZVSRIYYMSREJEP-OLZOCXBDSA-N 0 0 295.379 3.757 10 0 CHAERN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccccc2)C(=O)N1 ZINC000000256689 134523747 /nfs/dbraw/zinc/52/37/47/134523747.db2.gz WVXMUQBRRJBSNM-CRAIPNDOSA-N 0 0 294.354 3.765 10 0 CHAERN Cc1cccc(CN2CCCc3c(N)cccc32)c1 ZINC000037906215 134850939 /nfs/dbraw/zinc/85/09/39/134850939.db2.gz ZXTMBJWHKSDWBF-UHFFFAOYSA-N 0 0 252.361 3.530 10 0 CHAERN Nc1cccc2c1CCCN2Cc1ccc(Cl)cc1 ZINC000037905844 134850958 /nfs/dbraw/zinc/85/09/58/134850958.db2.gz MNBBUPNXXGMARW-UHFFFAOYSA-N 0 0 272.779 3.875 10 0 CHAERN CCc1ccc(CN2CCCc3c(N)cccc32)s1 ZINC000037906095 134850993 /nfs/dbraw/zinc/85/09/93/134850993.db2.gz RJLDFRLHUWVEFN-UHFFFAOYSA-N 0 0 272.417 3.846 10 0 CHAERN Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CC[C@H]2C ZINC000091692590 135073337 /nfs/dbraw/zinc/07/33/37/135073337.db2.gz WYQFYEWBJDOHFZ-SNVBAGLBSA-N 0 0 262.353 3.639 10 0 CHAERN COc1cc(C=O)cc(Oc2ccc(C)c(C)c2)c1OC ZINC000004227088 169945911 /nfs/dbraw/zinc/94/59/11/169945911.db2.gz SRMYHYSLJWZDEW-UHFFFAOYSA-N 0 0 286.327 3.925 10 0 CHAERN CC(C)(C)Nc1nc(Cc2ccc(Cl)cc2)ns1 ZINC000004379563 169963270 /nfs/dbraw/zinc/96/32/70/169963270.db2.gz ZNTZSALGUGDMAX-UHFFFAOYSA-N 0 0 281.812 3.993 10 0 CHAERN Cc1ccccc1NC(=O)Nc1ccc2snnc2c1 ZINC000005152165 170070998 /nfs/dbraw/zinc/07/09/98/170070998.db2.gz GOGGKNHIQAMBKP-UHFFFAOYSA-N 0 0 284.344 3.644 10 0 CHAERN CC(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1 ZINC000005287556 170083306 /nfs/dbraw/zinc/08/33/06/170083306.db2.gz IMMYBOWUTWIDGI-OUKQBFOZSA-N 0 0 279.339 3.931 10 0 CHAERN CCc1ccc(O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000005295118 170084162 /nfs/dbraw/zinc/08/41/62/170084162.db2.gz PNNJSBVXMFYEQO-CQSZACIVSA-N 0 0 283.371 3.963 10 0 CHAERN CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005378874 170091705 /nfs/dbraw/zinc/09/17/05/170091705.db2.gz LNCCHLOQMUCRKH-UHFFFAOYSA-N 0 0 289.718 3.518 10 0 CHAERN Cc1ccc(F)c2[nH]c(-c3ccccc3)cc(=O)c12 ZINC000005504003 170105401 /nfs/dbraw/zinc/10/54/01/170105401.db2.gz LIHGUAYEIXREGY-UHFFFAOYSA-N 0 0 253.276 3.643 10 0 CHAERN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1C ZINC000005542359 170111300 /nfs/dbraw/zinc/11/13/00/170111300.db2.gz VBHFJHFGYRHIGB-UHFFFAOYSA-N 0 0 282.343 3.514 10 0 CHAERN CCCCOC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000005596879 170117743 /nfs/dbraw/zinc/11/77/43/170117743.db2.gz PRRWSLKYCWVFOO-UHFFFAOYSA-N 0 0 293.363 3.848 10 0 CHAERN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000005610967 170119297 /nfs/dbraw/zinc/11/92/97/170119297.db2.gz YRLMXTSNKUQPJY-GOSISDBHSA-N 0 0 295.382 3.971 10 0 CHAERN Cc1cc2ncn(C(=O)[C@@H](C)Oc3ccccc3)c2cc1C ZINC000005681042 170127992 /nfs/dbraw/zinc/12/79/92/170127992.db2.gz PBDOKKYGZHTMHF-CQSZACIVSA-N 0 0 294.354 3.761 10 0 CHAERN CC[C@H](C)Oc1cc(N)nc(Sc2ccccc2C)n1 ZINC000005846538 170146508 /nfs/dbraw/zinc/14/65/08/170146508.db2.gz FINXZRNEMSTDDD-NSHDSACASA-N 0 0 289.404 3.696 10 0 CHAERN C=Cc1c(OC)c2ccccc2c(OC)c1OCC ZINC000005862970 170148203 /nfs/dbraw/zinc/14/82/03/170148203.db2.gz CVRQBVUZYCRIRI-UHFFFAOYSA-N 0 0 258.317 3.899 10 0 CHAERN CC(=O)c1c2ccccc2c(=O)oc1-c1ccccc1 ZINC000005884247 170150138 /nfs/dbraw/zinc/15/01/38/170150138.db2.gz HHBKSVMBZCQDGK-UHFFFAOYSA-N 0 0 264.280 3.663 10 0 CHAERN CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C ZINC000005887216 170150386 /nfs/dbraw/zinc/15/03/86/170150386.db2.gz QTDHSVQLRCNIKE-UHFFFAOYSA-N 0 0 282.343 3.604 10 0 CHAERN Cc1cc2ncn(C(=O)c3ccc(Cl)cc3)c2cc1C ZINC000005926839 170156649 /nfs/dbraw/zinc/15/66/49/170156649.db2.gz SVDMUTOACLENOA-UHFFFAOYSA-N 0 0 284.746 3.995 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)Nc1ccccc1 ZINC000005996598 170165808 /nfs/dbraw/zinc/16/58/08/170165808.db2.gz XHFLVBLUVBWYQA-UHFFFAOYSA-N 0 0 260.724 3.634 10 0 CHAERN C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000006335706 170193358 /nfs/dbraw/zinc/19/33/58/170193358.db2.gz HZXWBCBIVQVDMT-JTQLQIEISA-N 0 0 277.726 3.970 10 0 CHAERN C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000006500100 170207546 /nfs/dbraw/zinc/20/75/46/170207546.db2.gz QZFXMXJXAUMHQR-ZHIYBZGJSA-N 0 0 290.378 3.748 10 0 CHAERN O=[S@]1c2ccccc2SN1Cc1c(F)cccc1F ZINC000006583373 170215680 /nfs/dbraw/zinc/21/56/80/170215680.db2.gz UDSCSUFFANGZPT-LJQANCHMSA-N 0 0 297.351 3.510 10 0 CHAERN Cc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1C ZINC000006806376 170245228 /nfs/dbraw/zinc/24/52/28/170245228.db2.gz KEAXAFKYYWDHPV-UHFFFAOYSA-N 0 0 297.383 3.803 10 0 CHAERN CCOC(=O)C[C@H](C)Sc1ccc(Cl)cc1 ZINC000006941246 170257536 /nfs/dbraw/zinc/25/75/36/170257536.db2.gz MVXFXZNIKMFDBP-VIFPVBQESA-N 0 0 258.770 3.774 10 0 CHAERN COc1ccccc1NCc1ccc2ccccc2n1 ZINC000007115918 170267504 /nfs/dbraw/zinc/26/75/04/170267504.db2.gz NDIJEABRDIYOPW-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN CSc1cccc(N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000007223590 170272805 /nfs/dbraw/zinc/27/28/05/170272805.db2.gz NKRFLCBNVDFRMC-LBPRGKRZSA-N 0 0 286.400 3.848 10 0 CHAERN CCOc1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 ZINC000007264556 170274279 /nfs/dbraw/zinc/27/42/79/170274279.db2.gz QQYLQYFDFSHCFP-SDNWHVSQSA-N 0 0 287.403 3.938 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(F)cc1 ZINC000007638936 170294919 /nfs/dbraw/zinc/29/49/19/170294919.db2.gz GLFJCIGRMZCEND-KPKJPENVSA-N 0 0 285.318 3.876 10 0 CHAERN Cc1ccc(OCCC(=O)Nc2cccc(F)c2)cc1 ZINC000007652813 170295754 /nfs/dbraw/zinc/29/57/54/170295754.db2.gz MQSCCIHHUXDPRP-UHFFFAOYSA-N 0 0 273.307 3.542 10 0 CHAERN O=C(/C=C/c1cccc(Br)c1)NC1CCCC1 ZINC000008081823 170318319 /nfs/dbraw/zinc/31/83/19/170318319.db2.gz YFZCCSAJORQLPL-CMDGGOBGSA-N 0 0 294.192 3.521 10 0 CHAERN CCc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 ZINC000008080001 170318332 /nfs/dbraw/zinc/31/83/32/170318332.db2.gz BYHUKZIOCBRYFS-UHFFFAOYSA-N 0 0 283.371 3.965 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000008277241 170328475 /nfs/dbraw/zinc/32/84/75/170328475.db2.gz NXNQBARDRLFLSP-ODRPYRSTSA-N 0 0 257.377 3.703 10 0 CHAERN Cc1cccc(NC(=O)c2c(C)cc(C)nc2Cl)c1 ZINC000008510097 170338454 /nfs/dbraw/zinc/33/84/54/170338454.db2.gz AHWRNVXABOBPEC-UHFFFAOYSA-N 0 0 274.751 3.913 10 0 CHAERN O=C(CCC1CCCCC1)NC(=S)NC1CCCCC1 ZINC000008554324 170340041 /nfs/dbraw/zinc/34/00/41/170340041.db2.gz HAPOYQUVXAETFF-UHFFFAOYSA-N 0 0 296.480 3.670 10 0 CHAERN CCCCOc1cccc(C(=O)NC2CCCCC2)c1 ZINC000008564399 170340831 /nfs/dbraw/zinc/34/08/31/170340831.db2.gz JFKCLWQKICWDNQ-UHFFFAOYSA-N 0 0 275.392 3.928 10 0 CHAERN CCOCCn1c(Cc2cccs2)nc2ccccc21 ZINC000008786978 170356021 /nfs/dbraw/zinc/35/60/21/170356021.db2.gz IVBJPBKHTGSDQX-UHFFFAOYSA-N 0 0 286.400 3.725 10 0 CHAERN CCC(=O)Oc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000008906783 170358403 /nfs/dbraw/zinc/35/84/03/170358403.db2.gz IHNIHJQELNNTIK-UHFFFAOYSA-N 0 0 283.327 3.563 10 0 CHAERN C[C@@H](SCC(=O)Nc1ccc(O)cc1)c1ccccc1 ZINC000008906296 170358505 /nfs/dbraw/zinc/35/85/05/170358505.db2.gz YGUTWXNAMRCOAN-GFCCVEGCSA-N 0 0 287.384 3.825 10 0 CHAERN Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000009049798 170362033 /nfs/dbraw/zinc/36/20/33/170362033.db2.gz MSXMWBQCTVMDSO-UHFFFAOYSA-N 0 0 288.203 3.723 10 0 CHAERN Cc1cccc(OCCOc2cccc(C=O)c2)c1C ZINC000009237488 170367919 /nfs/dbraw/zinc/36/79/19/170367919.db2.gz SWSBGOVSPZUUOP-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN COc1ccccc1Cn1c(C)c(C=O)c2ccccc21 ZINC000009239688 170368410 /nfs/dbraw/zinc/36/84/10/170368410.db2.gz UNVLPZNMAUAEFS-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN COc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1)N2 ZINC000009280411 170370228 /nfs/dbraw/zinc/37/02/28/170370228.db2.gz NWWOTCODERDUTN-FHLIZLRMSA-N 0 0 281.355 3.940 10 0 CHAERN CC(C)[C@H](NC(=O)NC1CCCC1)c1cccs1 ZINC000009863431 170387640 /nfs/dbraw/zinc/38/76/40/170387640.db2.gz MHSWNDRQAQBCTB-ZDUSSCGKSA-N 0 0 266.410 3.687 10 0 CHAERN Nc1cccc(-c2csc(COc3ccccc3)n2)c1 ZINC000011568346 170420616 /nfs/dbraw/zinc/42/06/16/170420616.db2.gz WWNFLUFXNWVOPR-UHFFFAOYSA-N 0 0 282.368 3.971 10 0 CHAERN COc1ccccc1Cc1nc(-c2cccc(N)c2)cs1 ZINC000011568334 170420912 /nfs/dbraw/zinc/42/09/12/170420912.db2.gz WEOWLMFLKVDZGZ-UHFFFAOYSA-N 0 0 296.395 3.992 10 0 CHAERN CCC[C@H]1CNc2c(Br)cccc2C1 ZINC000011633382 170429749 /nfs/dbraw/zinc/42/97/49/170429749.db2.gz BGSIQXHVWIRQCV-SECBINFHSA-N 0 0 254.171 3.833 10 0 CHAERN C[C@@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013467206 170552638 /nfs/dbraw/zinc/55/26/38/170552638.db2.gz DMSFWIJHZMGIJI-QMDHVUGOSA-N 0 0 286.415 3.855 10 0 CHAERN CCCN(CCC)C(=O)/C=C/c1ccc(OCC)cc1 ZINC000013620525 170570034 /nfs/dbraw/zinc/57/00/34/170570034.db2.gz GNLNPORNMZYPLA-FMIVXFBMSA-N 0 0 275.392 3.747 10 0 CHAERN O=C(NCC1(c2cccs2)CCCC1)c1ccccc1 ZINC000013803212 170595379 /nfs/dbraw/zinc/59/53/79/170595379.db2.gz BYEZCEZZVHJPND-UHFFFAOYSA-N 0 0 285.412 3.990 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1OC ZINC000015352888 170663937 /nfs/dbraw/zinc/66/39/37/170663937.db2.gz RHHAVLNOJJRCDF-OUKQBFOZSA-N 0 0 297.354 3.746 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Cc1cccc2ccccc21 ZINC000017055027 170724473 /nfs/dbraw/zinc/72/44/73/170724473.db2.gz CHOVWGJVVNCQAF-CYBMUJFWSA-N 0 0 255.361 3.543 10 0 CHAERN Nc1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000019263488 170763276 /nfs/dbraw/zinc/76/32/76/170763276.db2.gz ZYRXBBZNXYYFPC-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN CSc1ccc(NC(=O)c2cccc(C)c2N)cc1 ZINC000019266123 170764740 /nfs/dbraw/zinc/76/47/40/170764740.db2.gz VRIMWRDCWJVXSL-UHFFFAOYSA-N 0 0 272.373 3.551 10 0 CHAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000019402151 170785166 /nfs/dbraw/zinc/78/51/66/170785166.db2.gz YDEMDZQCYYXZRP-RKDXNWHRSA-N 0 0 287.190 3.507 10 0 CHAERN CCc1cccc(CC)c1NC(=O)CNc1ccccc1 ZINC000019773408 170857782 /nfs/dbraw/zinc/85/77/82/170857782.db2.gz DANMMJGEJOIDJA-UHFFFAOYSA-N 0 0 282.387 3.862 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCc1ccccc1C(N)=S ZINC000019806210 170874928 /nfs/dbraw/zinc/87/49/28/170874928.db2.gz HPFVTAMOSDSSQX-SWLSCSKDSA-N 0 0 277.433 3.806 10 0 CHAERN NC(=S)c1ccc(F)c(COc2ccc(Cl)cc2)c1 ZINC000019806094 170875101 /nfs/dbraw/zinc/87/51/01/170875101.db2.gz JKUKHLINWUCZHK-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc(N)cc1Cl ZINC000019845754 170894127 /nfs/dbraw/zinc/89/41/27/170894127.db2.gz CZYQZOSCRZZSPF-UHFFFAOYSA-N 0 0 276.723 3.673 10 0 CHAERN c1ccc2c(c1)Cc1cc(NC[C@@H]3CCOC3)ccc1-2 ZINC000019907498 170919649 /nfs/dbraw/zinc/91/96/49/170919649.db2.gz DNLQKUODLHOBNB-ZDUSSCGKSA-N 0 0 265.356 3.706 10 0 CHAERN CC[C@H](Nc1ccc2c(c1)OCCO2)c1ccc(O)cc1 ZINC000019916215 170925595 /nfs/dbraw/zinc/92/55/95/170925595.db2.gz BUMLIYBDWUOGOD-HNNXBMFYSA-N 0 0 285.343 3.727 10 0 CHAERN COc1cc([C@H](C)Nc2cccc(F)c2)ccc1O ZINC000019920853 170928457 /nfs/dbraw/zinc/92/84/57/170928457.db2.gz SPKSYOFGWQUOOO-JTQLQIEISA-N 0 0 261.296 3.713 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000020004369 170966903 /nfs/dbraw/zinc/96/69/03/170966903.db2.gz NNSGLBSITMGHAJ-ZJUUUORDSA-N 0 0 269.291 3.999 10 0 CHAERN Fc1ccc(CNCc2nc3ccccc3s2)cc1 ZINC000020135905 171023254 /nfs/dbraw/zinc/02/32/54/171023254.db2.gz GDOIVUNGSXUPCK-UHFFFAOYSA-N 0 0 272.348 3.725 10 0 CHAERN Cn1cc(CNc2ccc3oc4ccccc4c3c2)cn1 ZINC000020143894 171029496 /nfs/dbraw/zinc/02/94/96/171029496.db2.gz NSKJIZMWMGQPOR-UHFFFAOYSA-N 0 0 277.327 3.932 10 0 CHAERN Cc1nc2cc(N[C@@H](C)c3cccnc3)ccc2o1 ZINC000020144031 171029752 /nfs/dbraw/zinc/02/97/52/171029752.db2.gz OGTQTFBYAMLWAP-JTQLQIEISA-N 0 0 253.305 3.704 10 0 CHAERN C[C@H](Nc1ccc(-c2nnco2)cc1)c1cccs1 ZINC000020186933 171051533 /nfs/dbraw/zinc/05/15/33/171051533.db2.gz VOMQFSXMJBJFGF-JTQLQIEISA-N 0 0 271.345 3.971 10 0 CHAERN C[C@H]1Cc2ccccc2N1Cc1ccc(N)cc1Cl ZINC000020192800 171058846 /nfs/dbraw/zinc/05/88/46/171058846.db2.gz BAEVJKIWOLZPFC-NSHDSACASA-N 0 0 272.779 3.873 10 0 CHAERN Oc1cccc(NCc2cc(Br)ccc2F)c1 ZINC000020193000 171059157 /nfs/dbraw/zinc/05/91/57/171059157.db2.gz AHXINTPSVWQTTQ-UHFFFAOYSA-N 0 0 296.139 3.906 10 0 CHAERN Cc1c(N)cccc1CN1c2ccccc2C[C@H]1C ZINC000020192629 171059169 /nfs/dbraw/zinc/05/91/69/171059169.db2.gz KSSDNIXOEIWUMW-GFCCVEGCSA-N 0 0 252.361 3.528 10 0 CHAERN Oc1cccc(NCc2cccc3cccnc32)c1 ZINC000020194133 171060102 /nfs/dbraw/zinc/06/01/02/171060102.db2.gz CQRSFMRZDBTODE-UHFFFAOYSA-N 0 0 250.301 3.553 10 0 CHAERN CCN(C(=O)c1cccc(N)c1C)c1cccc(C)c1 ZINC000020194675 171060166 /nfs/dbraw/zinc/06/01/66/171060166.db2.gz ZNZVCEDHXFYHIC-UHFFFAOYSA-N 0 0 268.360 3.552 10 0 CHAERN NC(=S)c1ccccc1NCc1ccc(Cl)cc1 ZINC000020213044 171075312 /nfs/dbraw/zinc/07/53/12/171075312.db2.gz CKLOXPBZSTWSDE-UHFFFAOYSA-N 0 0 276.792 3.586 10 0 CHAERN COc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246340 171099222 /nfs/dbraw/zinc/09/92/22/171099222.db2.gz BWBZAHUDDPXSIL-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN Nc1ccc(NC(=O)CC2CCCCC2)c(Cl)c1 ZINC000020249061 171101978 /nfs/dbraw/zinc/10/19/78/171101978.db2.gz DQEGXVMHRQXCHY-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN C[C@H](Nc1ccccc1Cl)C(=O)Nc1ccccc1 ZINC000020300783 171138801 /nfs/dbraw/zinc/13/88/01/171138801.db2.gz BGWTVQABFCIGLI-NSHDSACASA-N 0 0 274.751 3.779 10 0 CHAERN C[C@@H](Nc1ccc(F)cc1Cl)C(=O)Nc1ccccc1 ZINC000020304154 171141029 /nfs/dbraw/zinc/14/10/29/171141029.db2.gz BYWPVPZEYVFJSO-SNVBAGLBSA-N 0 0 292.741 3.918 10 0 CHAERN CCOC(=O)Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000020311589 171144785 /nfs/dbraw/zinc/14/47/85/171144785.db2.gz AGKVMPKVVYDIHS-UHFFFAOYSA-N 0 0 287.340 3.662 10 0 CHAERN Nc1ncnc2scc(-c3ccc4c(c3)CCCC4)c21 ZINC000020321070 171149802 /nfs/dbraw/zinc/14/98/02/171149802.db2.gz PVEXJOVQRNTOIM-UHFFFAOYSA-N 0 0 281.384 3.819 10 0 CHAERN Cc1cc(Br)ccc1NCc1cccn1C ZINC000020360437 171158743 /nfs/dbraw/zinc/15/87/43/171158743.db2.gz CYZNPQBIZGQFKE-UHFFFAOYSA-N 0 0 279.181 3.708 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366597 171165147 /nfs/dbraw/zinc/16/51/47/171165147.db2.gz MSQMVBFTOYHVFS-IUCAKERBSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366602 171165502 /nfs/dbraw/zinc/16/55/02/171165502.db2.gz UBRKAARTPCNXCP-VIFPVBQESA-N 0 0 289.206 3.710 10 0 CHAERN CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020367551 171165973 /nfs/dbraw/zinc/16/59/73/171165973.db2.gz WRGQBEIGZDXEGH-VXGBXAGGSA-N 0 0 280.437 3.514 10 0 CHAERN N[C@@H](c1cc2ccccc2o1)c1c(F)cccc1F ZINC000020369315 171166977 /nfs/dbraw/zinc/16/69/77/171166977.db2.gz ZVCGSMGJUXSOPI-HNNXBMFYSA-N 0 0 259.255 3.759 10 0 CHAERN Cc1ccc(Oc2ccncc2N)c(Br)c1 ZINC000020370846 171167435 /nfs/dbraw/zinc/16/74/35/171167435.db2.gz HTRMFRZOZNLULH-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN Nc1cc(Cl)ccc1NCCc1ccccc1F ZINC000020382909 171173141 /nfs/dbraw/zinc/17/31/41/171173141.db2.gz URPJKIBEJYXJDI-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Cc1cccc2cc([C@H](N)c3ccc(F)cc3)oc21 ZINC000020389203 171178383 /nfs/dbraw/zinc/17/83/83/171178383.db2.gz BRPCCYMLHKVURY-OAHLLOKOSA-N 0 0 255.292 3.928 10 0 CHAERN CC(=O)CCOc1ccc(Oc2ccccc2)cc1 ZINC000020440025 171204353 /nfs/dbraw/zinc/20/43/53/171204353.db2.gz RRJLUXTUIWPFHM-UHFFFAOYSA-N 0 0 256.301 3.837 10 0 CHAERN FC(F)(F)c1cccc(Cl)c1NC[C@@H]1CCCO1 ZINC000020443481 171205558 /nfs/dbraw/zinc/20/55/58/171205558.db2.gz BPVGXNAYQGTKAE-QMMMGPOBSA-N 0 0 279.689 3.950 10 0 CHAERN Cc1ccc(N[C@@H]2COc3cc(O)ccc32)c(Cl)c1 ZINC000020471143 171213772 /nfs/dbraw/zinc/21/37/72/171213772.db2.gz WOPJIFYNCVCSCR-CQSZACIVSA-N 0 0 275.735 3.900 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc(Cl)c2F)c1N ZINC000020472020 171215004 /nfs/dbraw/zinc/21/50/04/171215004.db2.gz TXQAWMHRDHYBJB-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN C[C@@H](Nc1ccc(I)cc1)C1CC1 ZINC000020477679 171221135 /nfs/dbraw/zinc/22/11/35/171221135.db2.gz NCMJPJLVALRTDE-MRVPVSSYSA-N 0 0 287.144 3.502 10 0 CHAERN CCOC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505343 171228233 /nfs/dbraw/zinc/22/82/33/171228233.db2.gz ONJKUWADMBSBRO-UHFFFAOYSA-N 0 0 282.554 3.622 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCc1ccc(C(N)=S)cc1F ZINC000020562288 171252518 /nfs/dbraw/zinc/25/25/18/171252518.db2.gz UELWBPCZQOQEBK-ABAIWWIYSA-N 0 0 295.423 3.945 10 0 CHAERN CC(C)c1ccccc1Nc1ccc(C(N)=S)cn1 ZINC000020566754 171254900 /nfs/dbraw/zinc/25/49/00/171254900.db2.gz SSZGEPGHTFARPW-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN Cc1n[nH]c(=S)n1CCc1ccc(Cl)cc1Cl ZINC000020589917 171260633 /nfs/dbraw/zinc/26/06/33/171260633.db2.gz VXDVQQFKMSYEST-UHFFFAOYSA-N 0 0 288.203 3.799 10 0 CHAERN Nc1cc(F)ccc1Nc1ccc(F)cc1Cl ZINC000020595309 171263965 /nfs/dbraw/zinc/26/39/65/171263965.db2.gz YCZRILLDEIMGGS-UHFFFAOYSA-N 0 0 254.667 3.944 10 0 CHAERN NC(=S)c1ccc(Nc2ccc(F)cc2Cl)cc1 ZINC000020595499 171264167 /nfs/dbraw/zinc/26/41/67/171264167.db2.gz XNSSBEGHSFMLQC-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN CCCOc1ccc(Cl)cc1CNCc1cccnc1 ZINC000020928774 171280456 /nfs/dbraw/zinc/28/04/56/171280456.db2.gz IQAWBNVKMOFYOV-UHFFFAOYSA-N 0 0 290.794 3.814 10 0 CHAERN Cc1cc(C(=O)NC2CCCCC2)c(C)c(F)c1F ZINC000021266745 171300489 /nfs/dbraw/zinc/30/04/89/171300489.db2.gz CUQOSOJKAMDKOH-UHFFFAOYSA-N 0 0 267.319 3.644 10 0 CHAERN NC(=S)c1ccc(Nc2cc(Cl)ccc2Cl)nc1 ZINC000021510062 171309595 /nfs/dbraw/zinc/30/95/95/171309595.db2.gz AVRXBWOFOLWNHN-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN CC1CCC(Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000021813961 171331252 /nfs/dbraw/zinc/33/12/52/171331252.db2.gz CXVKGTUPCGFTQN-UHFFFAOYSA-N 0 0 269.291 3.999 10 0 CHAERN O=Cc1cc(Cl)cc(Cl)c1OCc1cscn1 ZINC000021952403 171340094 /nfs/dbraw/zinc/34/00/94/171340094.db2.gz XPGIZXLIVWPLJT-UHFFFAOYSA-N 0 0 288.155 3.841 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(Cl)cc2N)c(C)c1 ZINC000021963880 171343101 /nfs/dbraw/zinc/34/31/01/171343101.db2.gz GGGFNYMNYFUOHE-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN COc1c(C(C)(C)C)cc(CO)cc1C(C)(C)C ZINC000021988526 171346078 /nfs/dbraw/zinc/34/60/78/171346078.db2.gz RFEYGJGHESCXRB-UHFFFAOYSA-N 0 0 250.382 3.783 10 0 CHAERN CC(=O)CCc1c[nH]c2c1cc(Cl)cc2Cl ZINC000021990487 171346135 /nfs/dbraw/zinc/34/61/35/171346135.db2.gz KQEBSTSRYSEEHR-UHFFFAOYSA-N 0 0 256.132 3.996 10 0 CHAERN CCOc1c(I)ccc2ccccc21 ZINC000021995515 171347130 /nfs/dbraw/zinc/34/71/30/171347130.db2.gz HXKYAIFLVCCDSS-UHFFFAOYSA-N 0 0 298.123 3.843 10 0 CHAERN COc1cc(OC)c2c(c1)O[C@](C)(c1ccccc1)CC2=O ZINC000021995763 171347392 /nfs/dbraw/zinc/34/73/92/171347392.db2.gz IHKSGAUPQCCYFB-SFHVURJKSA-N 0 0 298.338 3.584 10 0 CHAERN C[C@@H](C(=O)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 ZINC000021996869 171347735 /nfs/dbraw/zinc/34/77/35/171347735.db2.gz YKJJINLOTHGNPP-ZBEGNZNMSA-N 0 0 274.747 3.892 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc3c2CCCC3)c1O ZINC000022146193 171356683 /nfs/dbraw/zinc/35/66/83/171356683.db2.gz LDKHHNWUVWRHCF-UHFFFAOYSA-N 0 0 281.355 3.832 10 0 CHAERN COc1ccc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 ZINC000022148052 171357528 /nfs/dbraw/zinc/35/75/28/171357528.db2.gz VQUSJLUIRXBVFM-BPLDGKMQSA-N 0 0 262.397 3.963 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000024646808 171438476 /nfs/dbraw/zinc/43/84/76/171438476.db2.gz JZWBDUKJFHDQHF-SXSDINLZSA-N 0 0 293.366 3.648 10 0 CHAERN O[C@@H](Cc1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000027190183 171509343 /nfs/dbraw/zinc/50/93/43/171509343.db2.gz HHBGXTUFIRVUES-KRWDZBQOSA-N 0 0 267.303 3.650 10 0 CHAERN Cc1ccc(OCc2c(F)cccc2Cl)c(N)c1 ZINC000032114288 171707981 /nfs/dbraw/zinc/70/79/81/171707981.db2.gz QCMJVFIENNPBHZ-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1ccc(NCC(=O)Nc2ccccc2OC(C)C)cc1 ZINC000032181319 171720168 /nfs/dbraw/zinc/72/01/68/171720168.db2.gz KYENJTRTWNBHFJ-UHFFFAOYSA-N 0 0 298.386 3.833 10 0 CHAERN Cc1cc(Br)c2nc(Cl)ccc2c1 ZINC000034511985 171842872 /nfs/dbraw/zinc/84/28/72/171842872.db2.gz RWXMJDDUSCTUJI-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC(C)N1C(=O)[C@@H](c2ccccc2)OC12CCCCC2 ZINC000034784098 171866971 /nfs/dbraw/zinc/86/69/71/171866971.db2.gz QCWISSRKZJSPPZ-OAHLLOKOSA-N 0 0 273.376 3.655 10 0 CHAERN CC[C@H](C)N(CC)c1cc2nc(C)sc2cc1N ZINC000035060383 171962158 /nfs/dbraw/zinc/96/21/58/171962158.db2.gz JJHYUCFEGBIMMT-VIFPVBQESA-N 0 0 263.410 3.812 10 0 CHAERN CC1CCC(Nc2ccc3scnc3c2N)CC1 ZINC000035060724 171962280 /nfs/dbraw/zinc/96/22/80/171962280.db2.gz ZXQLHTMONSJJCQ-UHFFFAOYSA-N 0 0 261.394 3.869 10 0 CHAERN CC(C)CC[C@@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134742 172001504 /nfs/dbraw/zinc/00/15/04/172001504.db2.gz IOFKERSHAUOVSQ-GFCCVEGCSA-N 0 0 258.365 3.722 10 0 CHAERN O=C(Nc1cc(F)cc(F)c1)c1c[nH]c2ccccc12 ZINC000035148464 172010100 /nfs/dbraw/zinc/01/01/00/172010100.db2.gz MOOXDRPJBPVPCB-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1F ZINC000035148521 172010136 /nfs/dbraw/zinc/01/01/36/172010136.db2.gz SJVQZAKYSCJPHJ-UHFFFAOYSA-N 0 0 282.318 3.545 10 0 CHAERN Cc1ccc(NC[C@@H]2CCCCO2)c(Br)c1 ZINC000035150834 172013826 /nfs/dbraw/zinc/01/38/26/172013826.db2.gz RJMBFNWTGGITHP-NSHDSACASA-N 0 0 284.197 3.739 10 0 CHAERN Clc1cccc(NC[C@@H]2CCCCO2)c1Cl ZINC000035150798 172013878 /nfs/dbraw/zinc/01/38/78/172013878.db2.gz YQFDVCHMYHSPKY-VIFPVBQESA-N 0 0 260.164 3.974 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000035161470 172021196 /nfs/dbraw/zinc/02/11/96/172021196.db2.gz DWEDHUYSNLIPPL-ZIAGYGMSSA-N 0 0 282.387 3.820 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccccc2)c(C)c1 ZINC000035181796 172035554 /nfs/dbraw/zinc/03/55/54/172035554.db2.gz OQOVUADFMFSQGO-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000035183540 172036526 /nfs/dbraw/zinc/03/65/26/172036526.db2.gz CFUPVVARYAMXNZ-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)c2ccccc2)cc1 ZINC000035182876 172036895 /nfs/dbraw/zinc/03/68/95/172036895.db2.gz PCUXSBOBKIUEIH-ZDUSSCGKSA-N 0 0 254.329 3.899 10 0 CHAERN CCc1ccc(OCC(=O)c2ccc(C)cc2)cc1 ZINC000035182918 172036999 /nfs/dbraw/zinc/03/69/99/172036999.db2.gz OIWKZLMPYRIFHX-UHFFFAOYSA-N 0 0 254.329 3.819 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000035183716 172037189 /nfs/dbraw/zinc/03/71/89/172037189.db2.gz JRTBIBAGDNXTLC-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN CCOC(=O)c1c(N)scc1-c1ccc(Cl)s1 ZINC000035285660 172103993 /nfs/dbraw/zinc/10/39/93/172103993.db2.gz KQHFWNBUPUTUKQ-UHFFFAOYSA-N 0 0 287.793 3.889 10 0 CHAERN Cc1cccc(Oc2ccc(N)c3cccnc23)c1 ZINC000035342203 172134761 /nfs/dbraw/zinc/13/47/61/172134761.db2.gz IAEQGSUDFNEHGI-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN CCC(C)(C)Oc1cc2nc(C)sc2cc1N ZINC000035342964 172135053 /nfs/dbraw/zinc/13/50/53/172135053.db2.gz GWTONWISECVUAB-UHFFFAOYSA-N 0 0 250.367 3.754 10 0 CHAERN Cc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)o1 ZINC000035368879 172160301 /nfs/dbraw/zinc/16/03/01/172160301.db2.gz HLJZYSICIQGNRT-UHFFFAOYSA-N 0 0 254.207 3.545 10 0 CHAERN COc1ccc(C(=O)c2occc2C)cc1Br ZINC000035369346 172160761 /nfs/dbraw/zinc/16/07/61/172160761.db2.gz BIBBGRAFFSTBOH-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1c[nH]c2ccccc12 ZINC000035369144 172161092 /nfs/dbraw/zinc/16/10/92/172161092.db2.gz AZIXSZGOTMKTQF-UHFFFAOYSA-N 0 0 267.353 3.949 10 0 CHAERN COc1cccc(C=O)c1OCc1ccc(Cl)s1 ZINC000035412860 172184742 /nfs/dbraw/zinc/18/47/42/172184742.db2.gz YQVPGASOXMZDPI-UHFFFAOYSA-N 0 0 282.748 3.802 10 0 CHAERN CC(C)c1ccc(/C=C\C(=O)N2CCCCC2)cc1 ZINC000035419581 172190120 /nfs/dbraw/zinc/19/01/20/172190120.db2.gz BICRATJARQUVSC-FLIBITNWSA-N 0 0 257.377 3.836 10 0 CHAERN CCc1ccc(C(=O)c2ccc(OC)c(F)c2)cc1 ZINC000035423913 172192897 /nfs/dbraw/zinc/19/28/97/172192897.db2.gz JCLXXQAEDWHDIS-UHFFFAOYSA-N 0 0 258.292 3.628 10 0 CHAERN CN[C@@H](c1ccc(C)c(C)c1)C(F)(F)C(F)(F)F ZINC000035457011 172207033 /nfs/dbraw/zinc/20/70/33/172207033.db2.gz HKYUQJLEXIZHJT-JTQLQIEISA-N 0 0 267.241 3.762 10 0 CHAERN CCc1ccc([C@H](NC)C(F)(F)C(F)(F)F)cc1 ZINC000035494901 172227959 /nfs/dbraw/zinc/22/79/59/172227959.db2.gz RGEMIIXKQCYOPR-JTQLQIEISA-N 0 0 267.241 3.707 10 0 CHAERN CCc1noc2ncnc(Nc3ccc(C)cc3C)c12 ZINC000035528788 172243820 /nfs/dbraw/zinc/24/38/20/172243820.db2.gz NDPSMOVIELZRSC-UHFFFAOYSA-N 0 0 268.320 3.541 10 0 CHAERN CCCN[C@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000035581103 172277288 /nfs/dbraw/zinc/27/72/88/172277288.db2.gz LZBJPQTWCQANJL-MRVPVSSYSA-N 0 0 273.270 3.986 10 0 CHAERN CCCN[C@H](c1ccc(C)o1)c1ccc(F)cc1F ZINC000035581872 172278930 /nfs/dbraw/zinc/27/89/30/172278930.db2.gz ZIZFUVVDKDHFNS-HNNXBMFYSA-N 0 0 265.303 3.955 10 0 CHAERN CCCCCCOc1ccc(CC[C@H](C)O)cc1 ZINC000035627235 172306036 /nfs/dbraw/zinc/30/60/36/172306036.db2.gz GSVCUHVJIJRSMQ-AWEZNQCLSA-N 0 0 250.382 3.959 10 0 CHAERN COc1cccc(OC)c1Oc1ccc([C@H](C)O)cc1 ZINC000035631996 172314476 /nfs/dbraw/zinc/31/44/76/172314476.db2.gz WOLQQNFZYCGBGZ-NSHDSACASA-N 0 0 274.316 3.549 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1ccccc1F ZINC000035632184 172315086 /nfs/dbraw/zinc/31/50/86/172315086.db2.gz JVJXCITZCDAPCW-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN C[C@@H](O)c1ccccc1N(C)Cc1cccc(F)c1 ZINC000035650512 172326534 /nfs/dbraw/zinc/32/65/34/172326534.db2.gz DPINNGGBYRHYBI-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN C[C@@H](c1cccnc1)n1c2ccccc2[nH]c1=S ZINC000035692402 172361183 /nfs/dbraw/zinc/36/11/83/172361183.db2.gz XNIIVHNAGQURLM-JTQLQIEISA-N 0 0 255.346 3.703 10 0 CHAERN CN(Cc1cccs1)c1ccc(Br)cc1N ZINC000035716872 172370924 /nfs/dbraw/zinc/37/09/24/172370924.db2.gz HWAZWTBCCCFAHD-UHFFFAOYSA-N 0 0 297.221 3.729 10 0 CHAERN C[C@@H]([C@H]1CCCO1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035736451 172389310 /nfs/dbraw/zinc/38/93/10/172389310.db2.gz NRALLGJXFYITMX-SMDDNHRTSA-N 0 0 274.389 3.953 10 0 CHAERN CCS(=O)(=O)c1ccc(N[C@H](C)c2cccs2)cc1 ZINC000035737143 172390395 /nfs/dbraw/zinc/39/03/95/172390395.db2.gz QVUPWNUKAPXDBQ-LLVKDONJSA-N 0 0 295.429 3.715 10 0 CHAERN COC(=O)C[C@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035748848 172397116 /nfs/dbraw/zinc/39/71/16/172397116.db2.gz FSASGGNOKFEIQY-ZETCQYMHSA-N 0 0 295.688 3.722 10 0 CHAERN Cc1ccc(-c2nc3ccc(Cl)cn3c2N)cc1C ZINC000036222214 172519492 /nfs/dbraw/zinc/51/94/92/172519492.db2.gz RCQAXNASALXFSY-UHFFFAOYSA-N 0 0 271.751 3.854 10 0 CHAERN CCCCSCCCC(=O)Nc1ccccc1N ZINC000036332873 172617332 /nfs/dbraw/zinc/61/73/32/172617332.db2.gz OCCWATAFXQGLNU-UHFFFAOYSA-N 0 0 266.410 3.521 10 0 CHAERN O=C(NC1CC1)c1cncc(-c2csc3ccccc32)c1 ZINC000036349340 172624675 /nfs/dbraw/zinc/62/46/75/172624675.db2.gz CVPQZBFMELKYGP-UHFFFAOYSA-N 0 0 294.379 3.856 10 0 CHAERN CC(C)c1nc([C@H](N)c2c(Cl)cccc2Cl)no1 ZINC000036763817 172682501 /nfs/dbraw/zinc/68/25/01/172682501.db2.gz WEJICQSYBZXPCW-SNVBAGLBSA-N 0 0 286.162 3.548 10 0 CHAERN CC(C)n1cc(Cl)cc1C(=O)Nc1ccc(O)cc1 ZINC000036857363 172756176 /nfs/dbraw/zinc/75/61/76/172756176.db2.gz UNKGSWOMDGKYMT-UHFFFAOYSA-N 0 0 278.739 3.680 10 0 CHAERN CCC[C@@H](C)c1nn(-c2ccccc2)c(N)c1CC ZINC000036916379 172801327 /nfs/dbraw/zinc/80/13/27/172801327.db2.gz JJMHKWWGANAVNE-GFCCVEGCSA-N 0 0 257.381 3.921 10 0 CHAERN COc1ncccc1N[C@H](C)c1ccc(C)c(C)c1 ZINC000037070554 172932280 /nfs/dbraw/zinc/93/22/80/172932280.db2.gz JYRHQJZSENCMIC-CYBMUJFWSA-N 0 0 256.349 3.880 10 0 CHAERN COc1ccc(NCc2ccsc2)cc1OC(F)F ZINC000037101017 172955197 /nfs/dbraw/zinc/95/51/97/172955197.db2.gz ATSQNZBBVGMBEA-UHFFFAOYSA-N 0 0 285.315 3.970 10 0 CHAERN CCC(CC)CNc1cc(C(=O)N(C)C)ccc1Cl ZINC000037125404 172971199 /nfs/dbraw/zinc/97/11/99/172971199.db2.gz AOJUORQJTACZJT-UHFFFAOYSA-N 0 0 282.815 3.890 10 0 CHAERN Cc1ccc(SCc2noc(C(C)(C)C)n2)c(N)c1 ZINC000037192782 173021767 /nfs/dbraw/zinc/02/17/67/173021767.db2.gz YRLJMMQUDGLNAA-UHFFFAOYSA-N 0 0 277.393 3.550 10 0 CHAERN COC(=O)c1ccc(CSc2c(N)cccc2Cl)o1 ZINC000037195368 173023915 /nfs/dbraw/zinc/02/39/15/173023915.db2.gz PWSXTWGIKXRBHL-UHFFFAOYSA-N 0 0 297.763 3.594 10 0 CHAERN COc1cccc(-c2nc3cc(F)ccc3s2)c1O ZINC000037206073 173027224 /nfs/dbraw/zinc/02/72/24/173027224.db2.gz VHFFSRFUNVQRDZ-UHFFFAOYSA-N 0 0 275.304 3.817 10 0 CHAERN Nc1ccc(F)cc1-c1nc2cc(F)ccc2s1 ZINC000037205135 173027431 /nfs/dbraw/zinc/02/74/31/173027431.db2.gz QEPXXSGYIXCQJJ-UHFFFAOYSA-N 0 0 262.284 3.824 10 0 CHAERN O=Cc1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000037234729 173053448 /nfs/dbraw/zinc/05/34/48/173053448.db2.gz BHIGFQLFGHMJGL-UHFFFAOYSA-N 0 0 256.276 3.919 10 0 CHAERN C[C@@H]1CCC[C@H](n2c(=S)[nH]nc2-c2cccnc2)C1 ZINC000037256356 173066792 /nfs/dbraw/zinc/06/67/92/173066792.db2.gz KYQLXZFLYGJIPT-PWSUYJOCSA-N 0 0 274.393 3.754 10 0 CHAERN CCCC[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000037279445 173089147 /nfs/dbraw/zinc/08/91/47/173089147.db2.gz HCJZOTKJLARMGL-SNVBAGLBSA-N 0 0 291.363 3.674 10 0 CHAERN Nc1cc(CSc2ccc(Cl)cc2)ccc1O ZINC000037285493 173091754 /nfs/dbraw/zinc/09/17/54/173091754.db2.gz ZSAMHYLLMCZNEP-UHFFFAOYSA-N 0 0 265.765 3.920 10 0 CHAERN Nc1ccc(O)c(CSc2ccc(Cl)cc2)c1 ZINC000037285495 173091772 /nfs/dbraw/zinc/09/17/72/173091772.db2.gz UUXHRYLTEOZVQD-UHFFFAOYSA-N 0 0 265.765 3.920 10 0 CHAERN COC(=O)c1ccc(NCCCc2ccccc2)cc1 ZINC000037301467 173106973 /nfs/dbraw/zinc/10/69/73/173106973.db2.gz MQFXEDMNAGOOEV-UHFFFAOYSA-N 0 0 269.344 3.518 10 0 CHAERN CCOC(=O)c1ccccc1N[C@H](C)c1ccco1 ZINC000037308416 173111047 /nfs/dbraw/zinc/11/10/47/173111047.db2.gz FPLFWLUWAUJHBA-LLVKDONJSA-N 0 0 259.305 3.629 10 0 CHAERN CCC[C@H](C)Nc1ccc(C(F)(F)F)cc1C(N)=S ZINC000037334381 173135152 /nfs/dbraw/zinc/13/51/52/173135152.db2.gz GLIHFOVOWZHPJW-QMMMGPOBSA-N 0 0 290.354 3.940 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)c1ccc(F)cc1 ZINC000037342435 173142013 /nfs/dbraw/zinc/14/20/13/173142013.db2.gz BEUSCUNWNFWNGW-MLGOLLRUSA-N 0 0 264.340 3.994 10 0 CHAERN Cc1cc(-c2noc(N)c2-c2ccccc2)c(C)o1 ZINC000037350000 173144507 /nfs/dbraw/zinc/14/45/07/173144507.db2.gz GVUAHZQHGBCYRC-UHFFFAOYSA-N 0 0 254.289 3.801 10 0 CHAERN CCOc1ccc(-c2c(N)n[nH]c2[C@@H](C)CC)cc1 ZINC000037349518 173144687 /nfs/dbraw/zinc/14/46/87/173144687.db2.gz JVCJKKPGYDTIME-JTQLQIEISA-N 0 0 259.353 3.571 10 0 CHAERN CCC[C@@H](C)c1noc(N)c1-c1ccc(OC)cc1 ZINC000037350503 173144833 /nfs/dbraw/zinc/14/48/33/173144833.db2.gz ZFABAVFHZUCAPR-SNVBAGLBSA-N 0 0 260.337 3.836 10 0 CHAERN CCCCSCC(=O)c1ccc(OC)c(F)c1 ZINC000037351761 173145513 /nfs/dbraw/zinc/14/55/13/173145513.db2.gz YCYWIRDCEBOJJM-UHFFFAOYSA-N 0 0 256.342 3.550 10 0 CHAERN Clc1nsnc1Nc1cccc(Br)c1 ZINC000037372141 173162113 /nfs/dbraw/zinc/16/21/13/173162113.db2.gz FLPBTSVGJRLFBB-UHFFFAOYSA-N 0 0 290.573 3.698 10 0 CHAERN Nc1c(F)cccc1Nc1ccc(F)c(F)c1F ZINC000037419375 173197134 /nfs/dbraw/zinc/19/71/34/173197134.db2.gz HNAGRWYRIFRVNB-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN CCOC(=O)[C@@H](NC(C)C)c1ccc(Cl)cc1Cl ZINC000037446400 173213665 /nfs/dbraw/zinc/21/36/65/173213665.db2.gz TUGQOPPUPWDAAC-LBPRGKRZSA-N 0 0 290.190 3.596 10 0 CHAERN COc1ccccc1[C@]1(O)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037528889 173252397 /nfs/dbraw/zinc/25/23/97/173252397.db2.gz GMLXQEUSXKQLTG-VBQJREDUSA-N 0 0 262.393 3.975 10 0 CHAERN C[C@@](O)(Cc1cccc(Cl)c1)c1cccc(F)c1 ZINC000037530644 173252796 /nfs/dbraw/zinc/25/27/96/173252796.db2.gz AXKXXWGTCMKOSP-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN CCOc1cccc(C(=O)Cc2ccc(F)cc2)c1 ZINC000037531828 173253517 /nfs/dbraw/zinc/25/35/17/173253517.db2.gz XEGBHYJFYIGQSB-UHFFFAOYSA-N 0 0 258.292 3.650 10 0 CHAERN CCCn1cc(NC2CCCCCCC2)ccc1=O ZINC000037774609 173707225 /nfs/dbraw/zinc/70/72/25/173707225.db2.gz DYHBTHCDWIMZJS-UHFFFAOYSA-N 0 0 262.397 3.783 10 0 CHAERN CNC(=O)c1cc(NCc2sccc2C)ccc1Cl ZINC000037778790 173709705 /nfs/dbraw/zinc/70/97/05/173709705.db2.gz BJDSPSPLLZJMNP-UHFFFAOYSA-N 0 0 294.807 3.682 10 0 CHAERN COC(=O)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000037954091 173896208 /nfs/dbraw/zinc/89/62/08/173896208.db2.gz AAUKJQGXMDWVJQ-CQSZACIVSA-N 0 0 275.735 3.666 10 0 CHAERN COC(=O)[C@H](Nc1ccccc1Cl)C1CCCCC1 ZINC000037955192 173896439 /nfs/dbraw/zinc/89/64/39/173896439.db2.gz WVQNOFGDHBNZDC-CQSZACIVSA-N 0 0 281.783 3.874 10 0 CHAERN CCOC(=O)[C@](C)(CC(C)C)Nc1ccccc1C ZINC000037954786 173896495 /nfs/dbraw/zinc/89/64/95/173896495.db2.gz OHPGKHNGJHNKNE-INIZCTEOSA-N 0 0 263.381 3.775 10 0 CHAERN CSc1ccc([C@@](C)([NH2+]C2CCCCC2)C(=O)[O-])cc1 ZINC000037971693 173922974 /nfs/dbraw/zinc/92/29/74/173922974.db2.gz UQLHSTKKMWRAHE-MRXNPFEDSA-N 0 0 293.432 3.631 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)o1 ZINC000037976470 173932354 /nfs/dbraw/zinc/93/23/54/173932354.db2.gz VCCFRNXYIWIYCW-MRVPVSSYSA-N 0 0 299.157 3.781 10 0 CHAERN COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(F)cc1 ZINC000037983575 173944866 /nfs/dbraw/zinc/94/48/66/173944866.db2.gz CLMLUERMKJOGOV-LBPRGKRZSA-N 0 0 287.334 3.668 10 0 CHAERN C[C@@H](NCC(F)(F)F)c1ccc(Br)s1 ZINC000038001572 173964554 /nfs/dbraw/zinc/96/45/54/173964554.db2.gz ZWIVMWNERQAZOS-RXMQYKEDSA-N 0 0 288.132 3.724 10 0 CHAERN Nc1cc(F)c(NCc2ccc(Cl)cc2)c(F)c1 ZINC000038039854 174039729 /nfs/dbraw/zinc/03/97/29/174039729.db2.gz BLIYMSVKIQHSSX-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Cc1cccc(C(=O)N2CCSc3ccc(N)cc32)c1C ZINC000038051168 174062884 /nfs/dbraw/zinc/06/28/84/174062884.db2.gz SWLYVZHBKUMRAO-UHFFFAOYSA-N 0 0 298.411 3.638 10 0 CHAERN Nc1cccc(OCc2cc(-c3cccs3)on2)c1 ZINC000038054998 174066446 /nfs/dbraw/zinc/06/64/46/174066446.db2.gz ZKQQOJWHHQKSDH-UHFFFAOYSA-N 0 0 272.329 3.564 10 0 CHAERN CC[C@H](C)N[C@@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000038066827 174078323 /nfs/dbraw/zinc/07/83/23/174078323.db2.gz DNKIBMAMPUZYPB-QPUJVOFHSA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@H](C)CC)c1ccc(Cl)cc1 ZINC000038067696 174079101 /nfs/dbraw/zinc/07/91/01/174079101.db2.gz LKUVTNDYSTUPOD-ABAIWWIYSA-N 0 0 283.799 3.506 10 0 CHAERN C[C@@H](Nc1nc2ccccc2o1)c1cccc(N)c1 ZINC000038074703 174084818 /nfs/dbraw/zinc/08/48/18/174084818.db2.gz XVMAKTFSEBMCTJ-SNVBAGLBSA-N 0 0 253.305 3.583 10 0 CHAERN COc1ccccc1C(=O)Cc1c(F)cccc1Cl ZINC000038125736 174131193 /nfs/dbraw/zinc/13/11/93/174131193.db2.gz VLCRKTBQCMJGCH-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN CC(C)CNC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000038815963 174156626 /nfs/dbraw/zinc/15/66/26/174156626.db2.gz XOUOBGRDZJVXRI-XQRVVYSFSA-N 0 0 272.175 3.779 10 0 CHAERN Brc1cnc2c(c1)NC1(CCCCCC1)N2 ZINC000039711848 174171787 /nfs/dbraw/zinc/17/17/87/174171787.db2.gz LVKNGCKCMQRCTD-UHFFFAOYSA-N 0 0 282.185 3.732 10 0 CHAERN Cc1cccc2c(C)cc(SCC(=O)OC(C)C)nc12 ZINC000040167147 174199093 /nfs/dbraw/zinc/19/90/93/174199093.db2.gz JZGMCYQQHALCRZ-UHFFFAOYSA-N 0 0 289.400 3.895 10 0 CHAERN O[C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000040243699 174214368 /nfs/dbraw/zinc/21/43/68/174214368.db2.gz LGMFREXXRVNBMY-ZDUSSCGKSA-N 0 0 254.663 3.700 10 0 CHAERN O[C@H](c1ccc(F)cc1F)c1ccccc1Cl ZINC000040249058 174215747 /nfs/dbraw/zinc/21/57/47/174215747.db2.gz DDPFNIBCVAYIES-ZDUSSCGKSA-N 0 0 254.663 3.700 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)c(N)c1 ZINC000040354749 174245463 /nfs/dbraw/zinc/24/54/63/174245463.db2.gz CWWFEZRKQWGSLK-LLVKDONJSA-N 0 0 289.762 3.881 10 0 CHAERN Cc1ccc(Nc2ncnc(NC(C)C)c2N)cc1Cl ZINC000040703542 174378815 /nfs/dbraw/zinc/37/88/15/174378815.db2.gz JASSFSJJQIGLBO-UHFFFAOYSA-N 0 0 291.786 3.585 10 0 CHAERN Cc1cccc(Nc2ncnc(NC3CCCCC3)c2N)c1 ZINC000040708577 174380106 /nfs/dbraw/zinc/38/01/06/174380106.db2.gz GZXVPAJABIDHNV-UHFFFAOYSA-N 0 0 297.406 3.855 10 0 CHAERN Cc1cccc(Nc2ncnc(Oc3ccccc3)c2N)c1 ZINC000040781666 174404697 /nfs/dbraw/zinc/40/46/97/174404697.db2.gz FXAQBUNFXVWYKJ-UHFFFAOYSA-N 0 0 292.342 3.903 10 0 CHAERN Cc1ccc2nccc(NC(=O)c3ccc(F)cc3)c2c1 ZINC000041057271 174465475 /nfs/dbraw/zinc/46/54/75/174465475.db2.gz YSWRZJNMJDVTNI-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN Nc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000041144198 174495261 /nfs/dbraw/zinc/49/52/61/174495261.db2.gz PGUYXPQGIBTAEO-UHFFFAOYSA-N 0 0 266.127 3.807 10 0 CHAERN O[C@H](Cc1ccccc1)c1c(F)cccc1Cl ZINC000041307764 174516690 /nfs/dbraw/zinc/51/66/90/174516690.db2.gz MSUGXBJORVHZMT-CYBMUJFWSA-N 0 0 250.700 3.755 10 0 CHAERN Cc1ccccc1CC(CO)Cc1ccccc1C ZINC000041324609 174521391 /nfs/dbraw/zinc/52/13/91/174521391.db2.gz DDVVIIBVGMVZNA-UHFFFAOYSA-N 0 0 254.373 3.697 10 0 CHAERN Cc1cc([C@H](C)O)ccc1OCc1ccccc1F ZINC000041347171 174528777 /nfs/dbraw/zinc/52/87/77/174528777.db2.gz PMSMQQHQEGSZNI-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN CCCC1CCC(C(=O)[O-])([NH+]2CCCCCC2)CC1 ZINC000041661305 174595522 /nfs/dbraw/zinc/59/55/22/174595522.db2.gz AVRRDDJFOULBRO-UHFFFAOYSA-N 0 0 267.413 3.676 10 0 CHAERN CC[C@@H](NC(=O)C(C)(C)Br)c1ccc(C)cc1 ZINC000041706003 174609482 /nfs/dbraw/zinc/60/94/82/174609482.db2.gz WFVWKWFBHLRZMO-GFCCVEGCSA-N 0 0 298.224 3.736 10 0 CHAERN O[C@H]1CCCCC[C@@H]1Nc1ccc(Cl)cc1F ZINC000042589756 174810588 /nfs/dbraw/zinc/81/05/88/174810588.db2.gz CYUWFRPNUVHRCY-STQMWFEESA-N 0 0 257.736 3.585 10 0 CHAERN O[C@H](Cc1cccc(F)c1)c1ccccc1Br ZINC000043560670 175066293 /nfs/dbraw/zinc/06/62/93/175066293.db2.gz ISSNNTJGDJNFFD-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN CCc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1 ZINC000043639584 175084052 /nfs/dbraw/zinc/08/40/52/175084052.db2.gz PKAIHNKHBKOUFS-UHFFFAOYSA-N 0 0 280.780 3.798 10 0 CHAERN O[C@@H]1CCCC[C@@H]1Cc1ccc(Br)s1 ZINC000043658214 175085693 /nfs/dbraw/zinc/08/56/93/175085693.db2.gz IUPUXHFFSUBVHT-PSASIEDQSA-N 0 0 275.211 3.604 10 0 CHAERN CCc1ccc([C@@H](CC)n2nc(C)c(Cl)c2N)cc1 ZINC000043667889 175086711 /nfs/dbraw/zinc/08/67/11/175086711.db2.gz RAEMTWGAEDJNFU-CYBMUJFWSA-N 0 0 277.799 3.989 10 0 CHAERN Brc1ccsc1COC1CCCC1 ZINC000043679131 175089909 /nfs/dbraw/zinc/08/99/09/175089909.db2.gz IWCUVTPJUVJWDM-UHFFFAOYSA-N 0 0 261.184 3.970 10 0 CHAERN CC(C)C(=O)CCc1cc(Br)cs1 ZINC000043687982 175094856 /nfs/dbraw/zinc/09/48/56/175094856.db2.gz HSPVWEUOHHSJJG-UHFFFAOYSA-N 0 0 261.184 3.668 10 0 CHAERN COc1ccccc1-c1nc(Br)cs1 ZINC000044119701 175142564 /nfs/dbraw/zinc/14/25/64/175142564.db2.gz BDWYWZUHGGMYHV-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN CC(=O)c1sc(Cc2ccccc2Cl)nc1C ZINC000044267715 175157782 /nfs/dbraw/zinc/15/77/82/175157782.db2.gz VSWGDUZHKCQGKG-UHFFFAOYSA-N 0 0 265.765 3.898 10 0 CHAERN O=C(Cc1c(Cl)cccc1Cl)c1cccnc1 ZINC000044266293 175158050 /nfs/dbraw/zinc/15/80/50/175158050.db2.gz AVNZYTIWMKIVEP-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN COc1cc(C=O)cc2cc(-c3ccccc3)oc21 ZINC000044790389 175254207 /nfs/dbraw/zinc/25/42/07/175254207.db2.gz WUQYKLYMUSDFGE-UHFFFAOYSA-N 0 0 252.269 3.921 10 0 CHAERN COc1ccc2c(c1)O[C@H](c1ccc(F)cc1)CC2=O ZINC000045356515 175362064 /nfs/dbraw/zinc/36/20/64/175362064.db2.gz LIINIWOYEGBFDA-HNNXBMFYSA-N 0 0 272.275 3.541 10 0 in-vivo CHAERN O=C(COc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000047822120 175413960 /nfs/dbraw/zinc/41/39/60/175413960.db2.gz UXQHQBNQKXECOW-UHFFFAOYSA-N 0 0 271.099 3.848 10 0 CHAERN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)CCS1 ZINC000171579620 335071714 /nfs/dbraw/zinc/07/17/14/335071714.db2.gz WLGQGPGMCBMEDF-LBPRGKRZSA-N 0 0 277.433 3.562 10 0 CHAERN C[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CCS1 ZINC000171609205 335072575 /nfs/dbraw/zinc/07/25/75/335072575.db2.gz MTNZIHBNHDWQAI-ZETCQYMHSA-N 0 0 296.745 3.696 10 0 CHAERN COC(=O)c1cc(-c2ccc(O)c(F)c2)ccc1Cl ZINC000065341185 175710894 /nfs/dbraw/zinc/71/08/94/175710894.db2.gz GBYBRSLLFFPBSL-UHFFFAOYSA-N 0 0 280.682 3.638 10 0 CHAERN COc1ccc(C(=O)c2cc(Br)cs2)cc1 ZINC000070598634 175996249 /nfs/dbraw/zinc/99/62/49/175996249.db2.gz PQNFLRZGOSZHTM-UHFFFAOYSA-N 0 0 297.173 3.750 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1cc(F)ccc1F ZINC000071167956 176049322 /nfs/dbraw/zinc/04/93/22/176049322.db2.gz WRFJBYQLACJVQW-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN Cc1c(Cl)nnc(N[C@H](C)c2ccco2)c1C ZINC000071171310 176051292 /nfs/dbraw/zinc/05/12/92/176051292.db2.gz CKRPTKQUOCIWIB-SECBINFHSA-N 0 0 251.717 3.513 10 0 CHAERN Cc1c(C)c(OC/C=C/c2ccccc2)nnc1Cl ZINC000071170688 176051580 /nfs/dbraw/zinc/05/15/80/176051580.db2.gz ICIUJJJWGAGVLJ-RMKNXTFCSA-N 0 0 274.751 3.839 10 0 CHAERN Cc1c(Cl)nnc(N[C@H](C)Cc2ccccc2)c1C ZINC000071187156 176060497 /nfs/dbraw/zinc/06/04/97/176060497.db2.gz MCWZBCOIIBEHLY-SNVBAGLBSA-N 0 0 275.783 3.790 10 0 CHAERN Cc1cc(Nc2nnc(Cl)c(C)c2C)ccc1F ZINC000071187108 176060792 /nfs/dbraw/zinc/06/07/92/176060792.db2.gz AARXGVWCHIIHJP-UHFFFAOYSA-N 0 0 265.719 3.938 10 0 CHAERN O=Cc1ccc(OC/C=C/Cl)c(C(F)(F)F)c1 ZINC000071399048 176151876 /nfs/dbraw/zinc/15/18/76/176151876.db2.gz WYOLRBISYARPCL-DAFODLJHSA-N 0 0 264.630 3.649 10 0 CHAERN CC(=O)c1c(Cl)[nH]c2ccc(Br)cc21 ZINC000071465457 176181454 /nfs/dbraw/zinc/18/14/54/176181454.db2.gz XOKNMNHUQXJHHG-UHFFFAOYSA-N 0 0 272.529 3.786 10 0 CHAERN Cc1nc2cc(-c3cccs3)nn2c(Cl)c1C ZINC000071466631 176182869 /nfs/dbraw/zinc/18/28/69/176182869.db2.gz HCEDSXLXCUJXRX-UHFFFAOYSA-N 0 0 263.753 3.728 10 0 CHAERN COc1c(Br)ccc2ccc(F)cc21 ZINC000071477645 176187387 /nfs/dbraw/zinc/18/73/87/176187387.db2.gz XBSDFOCQYBZHIS-UHFFFAOYSA-N 0 0 255.086 3.750 10 0 CHAERN Fc1ccc(-c2cc(Cl)nc(Cl)n2)c(F)c1 ZINC000071587243 176214354 /nfs/dbraw/zinc/21/43/54/176214354.db2.gz SMWUYGQHISGVPI-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN COc1cc(Cl)c([C@H](N)C(F)(F)F)cc1Cl ZINC000071613776 176233279 /nfs/dbraw/zinc/23/32/79/176233279.db2.gz RFYLAQDAZWFCBQ-QMMMGPOBSA-N 0 0 274.069 3.564 10 0 CHAERN Cc1cccc(C)c1Nc1ncc(Br)cn1 ZINC000071628969 176236097 /nfs/dbraw/zinc/23/60/97/176236097.db2.gz FFHLENBVJUQPIW-UHFFFAOYSA-N 0 0 278.153 3.600 10 0 CHAERN Cc1cc(F)ccc1-c1ccc(Br)cn1 ZINC000072191840 176336314 /nfs/dbraw/zinc/33/63/14/176336314.db2.gz ZDTNOVVQJOHRQV-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN Brc1nc(C2CCC2)nc2ccccc12 ZINC000072192215 176336545 /nfs/dbraw/zinc/33/65/45/176336545.db2.gz DJKQZLITAUQGHZ-UHFFFAOYSA-N 0 0 263.138 3.660 10 0 CHAERN Fc1cc(F)cc(-c2cncc(Br)c2)c1 ZINC000072192744 176336819 /nfs/dbraw/zinc/33/68/19/176336819.db2.gz NSDMLSLYMNOVRP-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN Clc1ccnc(-c2cccc(Br)n2)c1 ZINC000072204083 176341900 /nfs/dbraw/zinc/34/19/00/176341900.db2.gz YQGZAFBIJFOKHW-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Brc1cnc(-c2cnc(C3CCC3)nc2)s1 ZINC000072204632 176342415 /nfs/dbraw/zinc/34/24/15/176342415.db2.gz CCVMXTLHXVLJKQ-UHFFFAOYSA-N 0 0 296.193 3.630 10 0 CHAERN Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)[C@H](C)CN2 ZINC000072266555 176352213 /nfs/dbraw/zinc/35/22/13/176352213.db2.gz GXUWHJXXIAFHLK-GFCCVEGCSA-N 0 0 276.380 3.546 10 0 CHAERN CC(=O)c1c(C)nn(-c2ccc(OC(F)(F)F)cc2)c1C ZINC000072415974 176399255 /nfs/dbraw/zinc/39/92/55/176399255.db2.gz FASMQOPZTYBZCG-UHFFFAOYSA-N 0 0 298.264 3.590 10 0 CHAERN Cc1[nH]nc2c1[C@H](O)C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415160 176399404 /nfs/dbraw/zinc/39/94/04/176399404.db2.gz URGIKBWPMHYLKC-GOEBONIOSA-N 0 0 270.376 3.605 10 0 CHAERN CCCNC(=O)c1cc2occc2c(Nc2ccccc2)n1 ZINC000075436737 176708785 /nfs/dbraw/zinc/70/87/85/176708785.db2.gz FZCOGHOXWHEDMY-UHFFFAOYSA-N 0 0 295.342 3.711 10 0 CHAERN CN(Cc1ccccc1)c1ncc(Br)s1 ZINC000076484834 177027299 /nfs/dbraw/zinc/02/72/99/177027299.db2.gz VUAGGPIKSVDYBW-UHFFFAOYSA-N 0 0 283.194 3.542 10 0 CHAERN Cc1nc(N(C)Cc2ccccc2)sc1Br ZINC000076570897 177040667 /nfs/dbraw/zinc/04/06/67/177040667.db2.gz IKYDFJDKUJINKE-UHFFFAOYSA-N 0 0 297.221 3.850 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Nc2ccc(N)c(F)c2)cc1 ZINC000076855252 177121807 /nfs/dbraw/zinc/12/18/07/177121807.db2.gz HCSIBIHFUDVMLF-UHFFFAOYSA-N 0 0 286.350 3.958 10 0 CHAERN O=c1cc(Nc2ccc(Cl)cc2)[nH]n1-c1ccccc1 ZINC000077922091 177310836 /nfs/dbraw/zinc/31/08/36/177310836.db2.gz BITFOPWUFUCBTD-UHFFFAOYSA-N 0 0 285.734 3.502 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[C@H]32)c1C ZINC000334707092 225281397 /nfs/dbraw/zinc/28/13/97/225281397.db2.gz BZOGZRJDETWBPT-WCQYABFASA-N 0 0 278.783 3.973 10 0 CHAERN CCc1nsc(N[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000301640014 227620374 /nfs/dbraw/zinc/62/03/74/227620374.db2.gz GHQQJLTWZWVRJK-NSHDSACASA-N 0 0 289.404 3.815 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)C[C@H](C)C(C)C)n1 ZINC000167389964 227808290 /nfs/dbraw/zinc/80/82/90/227808290.db2.gz MGCHXJKLAMLDBD-BBRMVZONSA-N 0 0 274.408 3.736 10 0 CHAERN Cc1cc(C)c(NC(=O)N2C[C@H]3CCC[C@@H]32)c(C)c1 ZINC000336183842 228208315 /nfs/dbraw/zinc/20/83/15/228208315.db2.gz VRNQIKJUAJVTTH-KGLIPLIRSA-N 0 0 258.365 3.628 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000336027348 228179301 /nfs/dbraw/zinc/17/93/01/228179301.db2.gz FXPROWYHTDDQMO-RYUDHWBXSA-N 0 0 293.798 3.697 10 0 CHAERN CCOc1ccc(NC(=O)c2ccccc2N)cc1Cl ZINC000037791170 260116572 /nfs/dbraw/zinc/11/65/72/260116572.db2.gz CBQUXNRZPUDOMQ-UHFFFAOYSA-N 0 0 290.750 3.573 10 0 CHAERN FC(F)(F)c1cccc(N[C@@H]2COc3ccccc32)n1 ZINC000070199117 260153883 /nfs/dbraw/zinc/15/38/83/260153883.db2.gz VPPLNBDHTVKXGO-SNVBAGLBSA-N 0 0 280.249 3.646 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000078587957 260168384 /nfs/dbraw/zinc/16/83/84/260168384.db2.gz KMTKDMZUXRDLBT-DTWKUNHWSA-N 0 0 291.342 3.582 10 0 CHAERN Cn1c2ccccc2nc1N[C@H]1CCOc2ccccc21 ZINC000079046754 260174200 /nfs/dbraw/zinc/17/42/00/260174200.db2.gz LBZJZQQNQMENCV-ZDUSSCGKSA-N 0 0 279.343 3.509 10 0 CHAERN CCCn1ccc(CNc2cccc(OCC)c2)c1 ZINC000091012478 260264421 /nfs/dbraw/zinc/26/44/21/260264421.db2.gz KRNVQFCBISHFIR-UHFFFAOYSA-N 0 0 258.365 3.909 10 0 CHAERN CCCn1ccc(CNc2cccnc2OC(C)C)c1 ZINC000091012826 260264517 /nfs/dbraw/zinc/26/45/17/260264517.db2.gz TWTSOZOHSCCHKV-UHFFFAOYSA-N 0 0 273.380 3.692 10 0 CHAERN C[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@@H](C)C1 ZINC000093278238 260274319 /nfs/dbraw/zinc/27/43/19/260274319.db2.gz CCMMANBIJLMAOY-STQMWFEESA-N 0 0 292.427 3.538 10 0 CHAERN CCc1cc(Br)ccc1NCc1cc[nH]c1 ZINC000088125422 260276586 /nfs/dbraw/zinc/27/65/86/260276586.db2.gz ULHOURCYPGRVRY-UHFFFAOYSA-N 0 0 279.181 3.952 10 0 CHAERN NN[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000161793212 260304819 /nfs/dbraw/zinc/30/48/19/260304819.db2.gz GKSCWJZQEMZYLM-ZDUSSCGKSA-N 0 0 267.159 3.546 10 0 CHAERN C[C@H]1CC(Nc2cccc(-c3cnco3)c2)C[C@H](C)O1 ZINC000130037316 260391977 /nfs/dbraw/zinc/39/19/77/260391977.db2.gz SKZBTNNYEALZAE-RYUDHWBXSA-N 0 0 272.348 3.710 10 0 CHAERN FC(F)(F)CCCCNc1ccnc(Cl)c1 ZINC000131630737 260406997 /nfs/dbraw/zinc/40/69/97/260406997.db2.gz BFTFHGGALUDLKI-UHFFFAOYSA-N 0 0 252.667 3.880 10 0 CHAERN Cc1cccc(C)c1CSCc1nnc(C2CC2)n1C ZINC000091030162 260471555 /nfs/dbraw/zinc/47/15/55/260471555.db2.gz JOOIZYJRTQQLCY-UHFFFAOYSA-N 0 0 287.432 3.743 10 0 CHAERN CCc1nnc(CS[C@H](CC)c2ccc(F)cc2)n1C ZINC000091030126 260471665 /nfs/dbraw/zinc/47/16/65/260471665.db2.gz AOCYXOXKDSKTAA-CYBMUJFWSA-N 0 0 293.411 3.901 10 0 CHAERN CCn1cc([C@@H](C)Nc2cccc(-c3cnco3)c2)cn1 ZINC000044499464 260646678 /nfs/dbraw/zinc/64/66/78/260646678.db2.gz VHKLVHGWZIWQTD-GFCCVEGCSA-N 0 0 282.347 3.731 10 0 CHAERN CC1(C)C[C@H](NC(=O)Nc2ccncc2)c2ccccc2O1 ZINC000152102341 261059507 /nfs/dbraw/zinc/05/95/07/261059507.db2.gz GQGVOMIQJPNUSE-AWEZNQCLSA-N 0 0 297.358 3.506 10 0 CHAERN C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152636216 261066782 /nfs/dbraw/zinc/06/67/82/261066782.db2.gz ZWEJKBLWFXCWRW-FVQBIDKESA-N 0 0 286.419 3.817 10 0 CHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000153442981 261078409 /nfs/dbraw/zinc/07/84/09/261078409.db2.gz PGMBPIGYYWVWOZ-HIFRSBDPSA-N 0 0 289.419 3.958 10 0 CHAERN Cc1c(-c2nc(-c3ccsc3)no2)cnn1CC(C)C ZINC000158184063 261160667 /nfs/dbraw/zinc/16/06/67/261160667.db2.gz AIURTZWNVJWZSR-UHFFFAOYSA-N 0 0 288.376 3.626 10 0 CHAERN C[C@H](c1cc(F)ccc1F)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173652215 261167295 /nfs/dbraw/zinc/16/72/95/261167295.db2.gz DTTXEXWXOWXFFX-BDJLRTHQSA-N 0 0 291.345 3.596 10 0 CHAERN C[C@@H](NC(=O)[C@H](C)SCC1CCC1)c1ccccc1 ZINC000173858899 261173181 /nfs/dbraw/zinc/17/31/81/261173181.db2.gz YMERBJGTEYMQEQ-OLZOCXBDSA-N 0 0 277.433 3.786 10 0 CHAERN C[C@@H](Nc1ccc(Br)cn1)c1cccc(O)c1 ZINC000174720189 261194349 /nfs/dbraw/zinc/19/43/49/261194349.db2.gz XFXWTZQKMXAFEU-SECBINFHSA-N 0 0 293.164 3.723 10 0 CHAERN CC(C)n1ccnc1CSCCc1ccccc1 ZINC000175313219 261218781 /nfs/dbraw/zinc/21/87/81/261218781.db2.gz WZNGAGPQNDWTPY-UHFFFAOYSA-N 0 0 260.406 3.940 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000175327751 261219670 /nfs/dbraw/zinc/21/96/70/261219670.db2.gz NEBVIHWGGCBTSV-DZKIICNBSA-N 0 0 274.408 3.619 10 0 CHAERN Fc1ccc(NCc2nc(-c3ccoc3)no2)c(Cl)c1 ZINC000105606219 261313240 /nfs/dbraw/zinc/31/32/40/261313240.db2.gz YDRQKSFEIATWJZ-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN Cc1cc(C)cc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606474 261313327 /nfs/dbraw/zinc/31/33/27/261313327.db2.gz GAVDOXRPFTYYNO-UHFFFAOYSA-N 0 0 269.304 3.559 10 0 CHAERN CC(C)C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177390666 261353009 /nfs/dbraw/zinc/35/30/09/261353009.db2.gz NQEQVKSFZXMPAH-CHWSQXEVSA-N 0 0 293.357 3.621 10 0 CHAERN CC[C@H](N[C@H]1CCCn2ncnc21)c1ccc(Cl)s1 ZINC000164791733 261358183 /nfs/dbraw/zinc/35/81/83/261358183.db2.gz FBUPHOPAZUKUES-UWVGGRQHSA-N 0 0 296.827 3.569 10 0 CHAERN Cc1cnc(C)c(N[C@H]2CCCc3ccccc32)n1 ZINC000105661741 261360152 /nfs/dbraw/zinc/36/01/52/261360152.db2.gz UYIWRSCTNHSTCC-HNNXBMFYSA-N 0 0 253.349 3.583 10 0 CHAERN COc1c(C)ccc(N[C@@H](C)c2cncs2)c1C ZINC000164934040 261361309 /nfs/dbraw/zinc/36/13/09/261361309.db2.gz FRPFXFWSCNLRCN-NSHDSACASA-N 0 0 262.378 3.942 10 0 CHAERN Cc1cc(N(C)C)ccc1N[C@@H](C)c1cncs1 ZINC000164938674 261362330 /nfs/dbraw/zinc/36/23/30/261362330.db2.gz SCLLALBMAFWDIQ-NSHDSACASA-N 0 0 261.394 3.691 10 0 CHAERN CC(C)n1ccnc1CSCCOc1ccccc1 ZINC000171158418 261458796 /nfs/dbraw/zinc/45/87/96/261458796.db2.gz NMYKWMYDCBYRSK-UHFFFAOYSA-N 0 0 276.405 3.776 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1ccccc1CC(F)(F)F ZINC000174015009 261553958 /nfs/dbraw/zinc/55/39/58/261553958.db2.gz DUKFTKFBBQIPAQ-JTQLQIEISA-N 0 0 288.313 3.957 10 0 CHAERN Cc1cc(C)cc(C[S@](=O)Cc2nccn2C(C)C)c1 ZINC000176838395 261671542 /nfs/dbraw/zinc/67/15/42/261671542.db2.gz AXMRKBJFGGMNRV-FQEVSTJZSA-N 0 0 290.432 3.530 10 0 CHAERN CC1(C)C[C@H](NC(=O)CCc2ccco2)c2ccccc2O1 ZINC000178046036 261724165 /nfs/dbraw/zinc/72/41/65/261724165.db2.gz GYIULVKEIJWCKS-HNNXBMFYSA-N 0 0 299.370 3.631 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(C)ccc1Cl ZINC000180085973 261838350 /nfs/dbraw/zinc/83/83/50/261838350.db2.gz RBEORTOYVAUONT-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN CCn1ccnc1CSCc1ccc(Cl)cc1 ZINC000106587126 261854720 /nfs/dbraw/zinc/85/47/20/261854720.db2.gz CWSWTTHRQBKNBA-UHFFFAOYSA-N 0 0 266.797 3.990 10 0 CHAERN C[C@@H](NCc1nc(C2CC2)no1)c1ccc(F)c(Cl)c1 ZINC000180725891 261871683 /nfs/dbraw/zinc/87/16/83/261871683.db2.gz BFHZTYOONOVSPD-MRVPVSSYSA-N 0 0 295.745 3.590 10 0 CHAERN CCOC(=O)c1coc(N[C@H](C)c2ccc(CC)cc2)n1 ZINC000228324098 261931712 /nfs/dbraw/zinc/93/17/12/261931712.db2.gz LPHAHIMKAUQTFD-LLVKDONJSA-N 0 0 288.347 3.587 10 0 CHAERN Cc1ccccc1N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000182531429 261942075 /nfs/dbraw/zinc/94/20/75/261942075.db2.gz CJUADWLGHPOBRY-ORAYPTAESA-N 0 0 273.401 3.906 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)CCc2ccccn2)CC(C)(C)C1 ZINC000182933025 261956947 /nfs/dbraw/zinc/95/69/47/261956947.db2.gz RYXSLYNNXRBMGA-LSDHHAIUSA-N 0 0 288.435 3.545 10 0 CHAERN CC/C=C/CCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000184492981 262021315 /nfs/dbraw/zinc/02/13/15/262021315.db2.gz UUOCGKUEOVTDIV-URWSZGRFSA-N 0 0 263.385 3.686 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccccc2F)o1 ZINC000108988935 262077928 /nfs/dbraw/zinc/07/79/28/262077928.db2.gz CXWDVEWYOXYADK-RYUDHWBXSA-N 0 0 275.323 3.708 10 0 CHAERN CC(C)[C@]1(C)C[C@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000186553517 262098696 /nfs/dbraw/zinc/09/86/96/262098696.db2.gz IABRXIQUBSLGOZ-ZENOOKHLSA-N 0 0 292.448 3.879 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(C)C)cs1 ZINC000186997897 262120828 /nfs/dbraw/zinc/12/08/28/262120828.db2.gz JPSAOTFZFOXJTD-ZDUSSCGKSA-N 0 0 266.410 3.551 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1c(F)cccc1F ZINC000054107620 262254053 /nfs/dbraw/zinc/25/40/53/262254053.db2.gz IFGCDYGEIMTORD-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN Fc1cccc(N[C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000048962790 263819142 /nfs/dbraw/zinc/81/91/42/263819142.db2.gz WOXVDJRIKPDQTL-GFCCVEGCSA-N 0 0 262.715 3.974 10 0 CHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCCc3c(N)cccc32)C1 ZINC000126558788 264222984 /nfs/dbraw/zinc/22/29/84/264222984.db2.gz PMUQOQPDCFAUOF-ZIAGYGMSSA-N 0 0 286.419 3.764 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)co1 ZINC000189044598 264270679 /nfs/dbraw/zinc/27/06/79/264270679.db2.gz SOCNPHKPJYYOMD-ZBEGNZNMSA-N 0 0 269.344 3.560 10 0 CHAERN CCc1oc(C(=O)N[C@H](C)c2cc(C)oc2C)cc1C ZINC000130390693 264358861 /nfs/dbraw/zinc/35/88/61/264358861.db2.gz ZCDPMWLAONPEEK-LLVKDONJSA-N 0 0 275.348 3.851 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2)cc1F ZINC000094820608 265258361 /nfs/dbraw/zinc/25/83/61/265258361.db2.gz XUHXPRTVEFRXFN-LLVKDONJSA-N 0 0 275.298 3.764 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000087001309 266028783 /nfs/dbraw/zinc/02/87/83/266028783.db2.gz VDKFFUCGBUYWGU-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)C[C@@H]2CCCCO2)cc1 ZINC000087001319 266029665 /nfs/dbraw/zinc/02/96/65/266029665.db2.gz REQQNFQNAWNVMV-YOEHRIQHSA-N 0 0 289.419 3.946 10 0 CHAERN O=C(c1csc(C2CC2)n1)N1CCC[C@H]1c1ccco1 ZINC000116042735 267121035 /nfs/dbraw/zinc/12/10/35/267121035.db2.gz YWGCPWAEZHWRGU-LBPRGKRZSA-N 0 0 288.372 3.591 10 0 CHAERN O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116046421 267121121 /nfs/dbraw/zinc/12/11/21/267121121.db2.gz AZMBDSJRFUWVNJ-OAHLLOKOSA-N 0 0 287.334 3.715 10 0 CHAERN Cn1cc(C(=O)N2CCC[C@H]2c2ccco2)c2ccccc21 ZINC000116211603 267133708 /nfs/dbraw/zinc/13/37/08/267133708.db2.gz ZSIBLKULKXIDAO-INIZCTEOSA-N 0 0 294.354 3.749 10 0 CHAERN COc1ccc(CN2CCC[C@H]2c2ccco2)cc1F ZINC000116294472 267137998 /nfs/dbraw/zinc/13/79/98/267137998.db2.gz POQNWFNGHPRPTA-AWEZNQCLSA-N 0 0 275.323 3.764 10 0 CHAERN Cc1cccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116415631 267151773 /nfs/dbraw/zinc/15/17/73/267151773.db2.gz GZCVRJFHTGQNPX-OAHLLOKOSA-N 0 0 284.359 3.635 10 0 CHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116405973 267152050 /nfs/dbraw/zinc/15/20/50/267152050.db2.gz SYHAFLUSSGPBBJ-AWEZNQCLSA-N 0 0 286.331 3.657 10 0 CHAERN COc1ccc(C)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117565685 267216684 /nfs/dbraw/zinc/21/66/84/267216684.db2.gz KHJRUHCCNHCVHW-SJKOYZFVSA-N 0 0 297.354 3.507 10 0 CHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000117642961 267218209 /nfs/dbraw/zinc/21/82/09/267218209.db2.gz YHSZRVYVDZQGNR-GTNSWQLSSA-N 0 0 292.338 3.671 10 0 CHAERN CCN(C(=O)N[C@H]1CCCc2cc(F)ccc21)C(C)C ZINC000119188574 267305989 /nfs/dbraw/zinc/30/59/89/267305989.db2.gz WJKZIVQBKQKNKQ-HNNXBMFYSA-N 0 0 278.371 3.643 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)c(F)c(F)c2)o1 ZINC000119330540 267322778 /nfs/dbraw/zinc/32/27/78/267322778.db2.gz USESIUVYJIWJNW-MRVPVSSYSA-N 0 0 298.264 3.888 10 0 CHAERN CCc1nc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)cs1 ZINC000119531761 267343740 /nfs/dbraw/zinc/34/37/40/267343740.db2.gz AXTJNJCOAIZJFE-KBPBESRZSA-N 0 0 292.448 3.538 10 0 CHAERN CCc1nc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cs1 ZINC000119531349 267343826 /nfs/dbraw/zinc/34/38/26/267343826.db2.gz AXTJNJCOAIZJFE-ZIAGYGMSSA-N 0 0 292.448 3.538 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(F)c2)o1 ZINC000123303478 268035121 /nfs/dbraw/zinc/03/51/21/268035121.db2.gz CKYATCXZNCXUEC-SECBINFHSA-N 0 0 281.714 3.872 10 0 CHAERN CSCCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123413351 268052379 /nfs/dbraw/zinc/05/23/79/268052379.db2.gz PNDYDPUJSIXHLM-HNNXBMFYSA-N 0 0 277.433 3.569 10 0 CHAERN O[C@H](Cc1cccs1)Cc1ccccc1Br ZINC000052900158 526297365 /nfs/dbraw/zinc/29/73/65/526297365.db2.gz GXHYCRFBKPIRKL-NSHDSACASA-N 0 0 297.217 3.657 10 0 CHAERN CCCn1ccc2ccc(NC(=O)N[C@H]3C[C@@H]3C)cc21 ZINC000173461258 327627945 /nfs/dbraw/zinc/62/79/45/327627945.db2.gz JCXCRRFQNCXNFS-FZMZJTMJSA-N 0 0 271.364 3.581 10 0 CHAERN Cc1cnc(N[C@@H]2CCCc3ccccc32)nc1C ZINC000301895185 327718990 /nfs/dbraw/zinc/71/89/90/327718990.db2.gz TZAVAOHZWSRKDI-OAHLLOKOSA-N 0 0 253.349 3.583 10 0 CHAERN Clc1cc2cccnc2c(N[C@@H]2CCn3ccnc32)c1 ZINC000379004356 327776334 /nfs/dbraw/zinc/77/63/34/327776334.db2.gz DAXZPGQSZRMZGL-GFCCVEGCSA-N 0 0 284.750 3.642 10 0 CHAERN Fc1ccc(NCc2cc(C(F)(F)F)ccc2F)nc1 ZINC000181572942 327809601 /nfs/dbraw/zinc/80/96/01/327809601.db2.gz GDJNAVXRZGEJTR-UHFFFAOYSA-N 0 0 288.219 3.991 10 0 CHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@H](C)c1cccs1 ZINC000184018457 327823383 /nfs/dbraw/zinc/82/33/83/327823383.db2.gz RTRREGLQNWNWFN-VXGBXAGGSA-N 0 0 281.421 3.711 10 0 CHAERN O=C(NCCC1CCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171738701 327872447 /nfs/dbraw/zinc/87/24/47/327872447.db2.gz HTYONANMAJGVRC-UONOGXRCSA-N 0 0 293.357 3.765 10 0 CHAERN Cc1c(C(=O)N[C@@H](C)c2ccccc2C)cnn1C(C)(C)C ZINC000047248038 326829388 /nfs/dbraw/zinc/82/93/88/326829388.db2.gz ROAPSSURRVETAY-ZDUSSCGKSA-N 0 0 299.418 3.746 10 0 CHAERN CC(C)(C)[C@@H](O)CSc1ccc(Br)cc1 ZINC000082730697 326846557 /nfs/dbraw/zinc/84/65/57/326846557.db2.gz RUDQJJQJKCPRHF-NSHDSACASA-N 0 0 289.238 3.948 10 0 CHAERN CCN(Cc1ccccc1Cl)C(=O)c1cccc(N)c1 ZINC000037808772 326862458 /nfs/dbraw/zinc/86/24/58/326862458.db2.gz JTGVMFTWNAQBTI-UHFFFAOYSA-N 0 0 288.778 3.585 10 0 CHAERN O=C(CCOCc1ccccc1)CCOCc1ccccc1 ZINC000021991523 326867784 /nfs/dbraw/zinc/86/77/84/326867784.db2.gz ABKANBSVZLTZJE-UHFFFAOYSA-N 0 0 298.382 3.769 10 0 CHAERN Fc1ccc(CN[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000070529965 326917716 /nfs/dbraw/zinc/91/77/16/326917716.db2.gz FNWFLAPOYBDTDM-CQSZACIVSA-N 0 0 277.726 3.702 10 0 CHAERN CC(C)c1ccc([C@@H](C)NCc2cnns2)cc1 ZINC000296879941 327114344 /nfs/dbraw/zinc/11/43/44/327114344.db2.gz WZCCBDGKYALUSP-LLVKDONJSA-N 0 0 261.394 3.512 10 0 CHAERN Cc1ccsc1CNC(=O)N[C@H](C)c1ccccc1C ZINC000026177519 327210020 /nfs/dbraw/zinc/21/00/20/327210020.db2.gz VMICRNZKWGXTIJ-CYBMUJFWSA-N 0 0 288.416 3.925 10 0 CHAERN CC1(C)CCCC[C@H]1Nc1cccc(Cn2cncn2)c1 ZINC000094278890 327250558 /nfs/dbraw/zinc/25/05/58/327250558.db2.gz QWLZXCPJILTBEV-MRXNPFEDSA-N 0 0 284.407 3.707 10 0 CHAERN CCCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c(C)c1 ZINC000150746750 327370143 /nfs/dbraw/zinc/37/01/43/327370143.db2.gz PQSJKQMLRMYFMM-BBRMVZONSA-N 0 0 291.391 3.680 10 0 CHAERN CC[C@H](C)n1ncc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c1C ZINC000408351672 327417067 /nfs/dbraw/zinc/41/70/67/327417067.db2.gz HJICGXWVFQOBAT-CORIIIEPSA-N 0 0 290.411 3.569 10 0 CHAERN COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1C ZINC000103174477 328763689 /nfs/dbraw/zinc/76/36/89/328763689.db2.gz BGTKHUFMOYRWTQ-UHFFFAOYSA-N 0 0 284.359 3.668 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000043724261 328810943 /nfs/dbraw/zinc/81/09/43/328810943.db2.gz PYHVWJBPAJISMT-QWHCGFSZSA-N 0 0 264.369 3.623 10 0 CHAERN Fc1cc(F)c2nccc(N3CCC4(CCC4)C3)c2c1 ZINC000302555349 328832428 /nfs/dbraw/zinc/83/24/28/328832428.db2.gz XXCBDWJYZOSQBD-UHFFFAOYSA-N 0 0 274.314 3.893 10 0 CHAERN C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116042712 328933956 /nfs/dbraw/zinc/93/39/56/328933956.db2.gz WVOVQHVQAHPFSH-HOCLYGCPSA-N 0 0 299.370 3.548 10 0 CHAERN CCC(CC)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117724504 328942834 /nfs/dbraw/zinc/94/28/34/328942834.db2.gz SRJOGSLLACDZHW-UHFFFAOYSA-N 0 0 263.406 3.800 10 0 CHAERN Cc1nc([C@H](C)Nc2nc3ccccc3[nH]2)cs1 ZINC000170543383 329067444 /nfs/dbraw/zinc/06/74/44/329067444.db2.gz OMAYWDPXHWKSER-QMMMGPOBSA-N 0 0 258.350 3.501 10 0 CHAERN CCC(C)(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000171181961 329073188 /nfs/dbraw/zinc/07/31/88/329073188.db2.gz AVSQRYJQIRBXHW-UHFFFAOYSA-N 0 0 257.377 3.739 10 0 CHAERN CC(C)[C@H](C)NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171453348 329076156 /nfs/dbraw/zinc/07/61/56/329076156.db2.gz XAKDKVDHMFEBQJ-WMLDXEAASA-N 0 0 297.402 3.515 10 0 CHAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171453338 329076248 /nfs/dbraw/zinc/07/62/48/329076248.db2.gz XAKDKVDHMFEBQJ-YOEHRIQHSA-N 0 0 297.402 3.515 10 0 CHAERN O=C(N[C@H]1CC=CCC1)N1CC=C(c2cccs2)CC1 ZINC000172483250 329136928 /nfs/dbraw/zinc/13/69/28/329136928.db2.gz LHHJKXFZDHUEEO-AWEZNQCLSA-N 0 0 288.416 3.656 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173408544 329146747 /nfs/dbraw/zinc/14/67/47/329146747.db2.gz FHVKQSGLQAVRLP-GXTWGEPZSA-N 0 0 294.464 3.984 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 ZINC000173413928 329146935 /nfs/dbraw/zinc/14/69/35/329146935.db2.gz FPVILQPHEUKGAR-KGLIPLIRSA-N 0 0 290.432 3.514 10 0 CHAERN CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173759501 329148147 /nfs/dbraw/zinc/14/81/47/329148147.db2.gz SHCAFHXYVPIDBV-MRXNPFEDSA-N 0 0 270.376 3.683 10 0 CHAERN CCC1(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CCC1 ZINC000176194376 329172363 /nfs/dbraw/zinc/17/23/63/329172363.db2.gz GVCOZOVPUPOVCA-CYBMUJFWSA-N 0 0 292.448 3.738 10 0 CHAERN C[C@H](NC(=O)N1CCCC[C@H]1c1nccs1)C(C)(C)C ZINC000176356286 329174721 /nfs/dbraw/zinc/17/47/21/329174721.db2.gz DZFDHENAGBEBHF-RYUDHWBXSA-N 0 0 295.452 3.814 10 0 CHAERN CC(C)[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176391818 329175236 /nfs/dbraw/zinc/17/52/36/329175236.db2.gz BBQUNPCDZOILRS-QWHCGFSZSA-N 0 0 295.452 3.672 10 0 CHAERN CC(C)[C@@H](C)CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176391855 329175332 /nfs/dbraw/zinc/17/53/32/329175332.db2.gz BBQUNPCDZOILRS-STQMWFEESA-N 0 0 295.452 3.672 10 0 CHAERN CCCn1ccc2cc(NC(=O)[C@H]3CC[C@H](C)O3)ccc21 ZINC000178184422 329194297 /nfs/dbraw/zinc/19/42/97/329194297.db2.gz YAPAGICHSMRYJU-BLLLJJGKSA-N 0 0 286.375 3.557 10 0 CHAERN COC[C@@H](Nc1cc(-c2nc(C)co2)ccc1C)C1CC1 ZINC000180036570 329214906 /nfs/dbraw/zinc/21/49/06/329214906.db2.gz MYAQWDIDRCOFNE-MRXNPFEDSA-N 0 0 286.375 3.795 10 0 CHAERN Cc1cnccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180303158 329219271 /nfs/dbraw/zinc/21/92/71/329219271.db2.gz KONMQTNQHXKCHI-DGCLKSJQSA-N 0 0 260.381 3.791 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180989068 329224681 /nfs/dbraw/zinc/22/46/81/329224681.db2.gz VSAGMGXGSCZCLT-CABCVRRESA-N 0 0 288.435 3.893 10 0 CHAERN CCc1ccnc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000181715723 329236062 /nfs/dbraw/zinc/23/60/62/329236062.db2.gz SRSAGGVBZLOTCZ-UHFFFAOYSA-N 0 0 292.382 3.574 10 0 CHAERN Cc1ccc([C@H](C)NCc2nc3ccccc3o2)o1 ZINC000183084116 329247009 /nfs/dbraw/zinc/24/70/09/329247009.db2.gz BFXBAOUFJPDLLX-NSHDSACASA-N 0 0 256.305 3.580 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2cccnc2)n1 ZINC000183440812 329247957 /nfs/dbraw/zinc/24/79/57/329247957.db2.gz MHCKGGPCUBQOLU-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN O=C(CCc1ccc(O)cc1)N[C@H]1CCCc2ccccc21 ZINC000183301066 329249088 /nfs/dbraw/zinc/24/90/88/329249088.db2.gz MBBUGPHNKIPPGK-SFHVURJKSA-N 0 0 295.382 3.519 10 0 CHAERN CC(=O)c1ccc(N2CC=C(c3ccccc3F)CC2)nc1 ZINC000183964166 329251795 /nfs/dbraw/zinc/25/17/95/329251795.db2.gz YWPIYFOQGGLFDP-UHFFFAOYSA-N 0 0 296.345 3.717 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1C)[C@@H](C)C2 ZINC000184188602 329257093 /nfs/dbraw/zinc/25/70/93/329257093.db2.gz DDUGZSMMMZEAKS-YVEFUNNKSA-N 0 0 295.386 3.753 10 0 CHAERN C[C@H](CSC(C)(C)C)Nc1cccc2c1OCC[C@@H]2O ZINC000184569615 329259988 /nfs/dbraw/zinc/25/99/88/329259988.db2.gz GPOBRYWOMKEURF-RISCZKNCSA-N 0 0 295.448 3.835 10 0 CHAERN CC(C)[C@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000184814676 329262945 /nfs/dbraw/zinc/26/29/45/329262945.db2.gz ORBMENWBTBVAJR-IAGOWNOFSA-N 0 0 269.388 3.594 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185199688 329267676 /nfs/dbraw/zinc/26/76/76/329267676.db2.gz QYMCVEYWGTUTFK-HOCLYGCPSA-N 0 0 299.370 3.525 10 0 CHAERN C=Cc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000185239990 329269398 /nfs/dbraw/zinc/26/93/98/329269398.db2.gz BJDSIHPQZSUGCS-MRXNPFEDSA-N 0 0 279.339 3.583 10 0 CHAERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)o1 ZINC000186063430 329336954 /nfs/dbraw/zinc/33/69/54/329336954.db2.gz DLQNNGMVXDWNSO-AWEZNQCLSA-N 0 0 293.370 3.896 10 0 CHAERN COC[C@H](C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185984861 329337827 /nfs/dbraw/zinc/33/78/27/329337827.db2.gz LEVUBWPQMHESEM-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN O=C(CCc1ccoc1)N1CC=C(c2ccccc2F)CC1 ZINC000186139645 329338473 /nfs/dbraw/zinc/33/84/73/329338473.db2.gz PPQXHTFCTXRPOV-UHFFFAOYSA-N 0 0 299.345 3.667 10 0 CHAERN CC1CCC(Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000187471369 329357879 /nfs/dbraw/zinc/35/78/79/329357879.db2.gz AROGUSHNBWZVKB-UHFFFAOYSA-N 0 0 273.380 3.655 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000187781590 329360704 /nfs/dbraw/zinc/36/07/04/329360704.db2.gz XXCMFTGIERQREU-HNNXBMFYSA-N 0 0 297.402 3.977 10 0 CHAERN Cc1nc(NC(=O)[C@@H]2CCC[C@@H]2C)ccc1Br ZINC000230058554 329362337 /nfs/dbraw/zinc/36/23/37/329362337.db2.gz FDDYFOHWNJXUGZ-WCBMZHEXSA-N 0 0 297.196 3.527 10 0 CHAERN FC(F)(F)c1ccccc1[C@@H]1CN(C2CCC2)CCO1 ZINC000187720440 329362697 /nfs/dbraw/zinc/36/26/97/329362697.db2.gz SMUNKRNFIBXBGQ-AWEZNQCLSA-N 0 0 285.309 3.631 10 0 CHAERN CC[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1cccc(Cl)c1 ZINC000188151573 329364917 /nfs/dbraw/zinc/36/49/17/329364917.db2.gz SHGIXVNSEPBNEH-UGFHNGPFSA-N 0 0 295.810 3.722 10 0 CHAERN Cc1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)co1 ZINC000188886393 329373946 /nfs/dbraw/zinc/37/39/46/329373946.db2.gz OAEOSWHMEMKINA-ZBEGNZNMSA-N 0 0 269.344 3.956 10 0 CHAERN CC[C@H](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000189383475 329380790 /nfs/dbraw/zinc/38/07/90/329380790.db2.gz UEYIVBJVPGGQRE-JSGCOSHPSA-N 0 0 275.392 3.841 10 0 CHAERN Fc1ccc(CN2CC=C(c3ccccc3F)CC2)cn1 ZINC000189582478 329383549 /nfs/dbraw/zinc/38/35/49/329383549.db2.gz IUROKUFWQJTGAC-UHFFFAOYSA-N 0 0 286.325 3.649 10 0 CHAERN CCCCCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189814548 329389225 /nfs/dbraw/zinc/38/92/25/329389225.db2.gz CRMIWJJWJUSJCP-UHFFFAOYSA-N 0 0 287.403 3.662 10 0 CHAERN CCOC1CC(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)C1 ZINC000190011416 329391852 /nfs/dbraw/zinc/39/18/52/329391852.db2.gz IXKKHKVDKYKNGL-KMZOKZLKSA-N 0 0 293.451 3.524 10 0 CHAERN O=C(c1ccoc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190287184 329394183 /nfs/dbraw/zinc/39/41/83/329394183.db2.gz DTOILJOSBAMPAC-NSHDSACASA-N 0 0 291.297 3.578 10 0 CHAERN O=C(CC1CCC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190286162 329394188 /nfs/dbraw/zinc/39/41/88/329394188.db2.gz ZXIQOUTZGBVHRP-ZDUSSCGKSA-N 0 0 293.357 3.861 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C(C)(Cl)Cl)n1 ZINC000190373451 329395604 /nfs/dbraw/zinc/39/56/04/329395604.db2.gz RAOXXCGGUWSEJC-YUMQZZPRSA-N 0 0 293.194 3.639 10 0 CHAERN Cc1cc(C)c(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)o1 ZINC000190380466 329395694 /nfs/dbraw/zinc/39/56/94/329395694.db2.gz QACGXAOPZYMNQR-AAEUAGOBSA-N 0 0 290.363 3.865 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1CCCCC1 ZINC000190618608 329399967 /nfs/dbraw/zinc/39/99/67/329399967.db2.gz DQTVHRLFLGCBDC-HNNXBMFYSA-N 0 0 273.376 3.515 10 0 CHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000117750632 329546443 /nfs/dbraw/zinc/54/64/43/329546443.db2.gz CKMUGOIDYQZACC-PIGZYNQJSA-N 0 0 292.338 3.671 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000117956600 329546840 /nfs/dbraw/zinc/54/68/40/329546840.db2.gz WJCWTBWJANSUSU-GFCCVEGCSA-N 0 0 278.421 3.591 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)Cc2cccc(O)c2)c2ccccc21 ZINC000124838251 329574412 /nfs/dbraw/zinc/57/44/12/329574412.db2.gz IJHWHBGHGFXCPP-FZKQIMNGSA-N 0 0 295.382 3.690 10 0 CHAERN O=C(NCCC1=CCCC1)N1CCC[C@H]1c1ccco1 ZINC000125820208 329587443 /nfs/dbraw/zinc/58/74/43/329587443.db2.gz QRSCZJYFLMYCJA-AWEZNQCLSA-N 0 0 274.364 3.627 10 0 CHAERN CC1(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000129964689 329621480 /nfs/dbraw/zinc/62/14/80/329621480.db2.gz NJNXPLBPGZCQDC-AWEZNQCLSA-N 0 0 285.387 3.739 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)c(C)n1 ZINC000048384095 329625277 /nfs/dbraw/zinc/62/52/77/329625277.db2.gz DJOIROXBDCGKJO-UHFFFAOYSA-N 0 0 292.382 3.628 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CSc2ccccc2)o1 ZINC000048411522 329626179 /nfs/dbraw/zinc/62/61/79/329626179.db2.gz ZMJUZYWHEROEDF-GFCCVEGCSA-N 0 0 275.373 3.558 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)O1 ZINC000134162712 329657545 /nfs/dbraw/zinc/65/75/45/329657545.db2.gz WWMGMTLGALRTEV-MAUKXSAKSA-N 0 0 295.382 3.787 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)O1 ZINC000134162916 329657582 /nfs/dbraw/zinc/65/75/82/329657582.db2.gz WWMGMTLGALRTEV-QAPCUYQASA-N 0 0 295.382 3.787 10 0 CHAERN Cc1nccc(N[C@@H](C)c2cccc(Br)c2)n1 ZINC000054935981 329673034 /nfs/dbraw/zinc/67/30/34/329673034.db2.gz YHXADYBAUPCIMM-VIFPVBQESA-N 0 0 292.180 3.721 10 0 CHAERN CC(C)n1ccnc1CSc1ccc(Cl)cn1 ZINC000195517412 329693356 /nfs/dbraw/zinc/69/33/56/329693356.db2.gz HBXTVYYWVMPOQL-UHFFFAOYSA-N 0 0 267.785 3.805 10 0 CHAERN C[C@H]1CN(c2nc(C(F)F)nc3ccccc32)CCS1 ZINC000066466965 329847935 /nfs/dbraw/zinc/84/79/35/329847935.db2.gz SAAIHGPSWCWLTL-VIFPVBQESA-N 0 0 295.358 3.509 10 0 CHAERN CC(C)[C@@H](C)CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000067816867 329851294 /nfs/dbraw/zinc/85/12/94/329851294.db2.gz RUNLSAIZEIKAJT-LBPRGKRZSA-N 0 0 272.348 3.962 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2)o1 ZINC000069721491 329854493 /nfs/dbraw/zinc/85/44/93/329854493.db2.gz RDWOAJXSMVCTNT-SNVBAGLBSA-N 0 0 263.724 3.732 10 0 CHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2ccccc2c1 ZINC000246647912 329868639 /nfs/dbraw/zinc/86/86/39/329868639.db2.gz COBVCECCMAFXJA-RCCFBDPRSA-N 0 0 295.382 3.527 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H]3C=CCC3)C2)cc1 ZINC000246656016 329868771 /nfs/dbraw/zinc/86/87/71/329868771.db2.gz JWEJRGXJIQIUBX-BFYDXBDKSA-N 0 0 299.414 3.756 10 0 CHAERN CC[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000251529357 329930537 /nfs/dbraw/zinc/93/05/37/329930537.db2.gz DCKADCJTFAXISJ-DZKIICNBSA-N 0 0 289.423 3.680 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCC(C)C)C2)cc1 ZINC000078187300 329947203 /nfs/dbraw/zinc/94/72/03/329947203.db2.gz JOCNRXZDWDQZKO-HOCLYGCPSA-N 0 0 289.419 3.836 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCC(C)C)C2)cc1 ZINC000078187304 329947274 /nfs/dbraw/zinc/94/72/74/329947274.db2.gz JOCNRXZDWDQZKO-GOEBONIOSA-N 0 0 289.419 3.836 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)Nc2ccncc2)c2ccccc21 ZINC000162182483 329982449 /nfs/dbraw/zinc/98/24/49/329982449.db2.gz BRWRHMJKZUXTQX-MLGOLLRUSA-N 0 0 281.359 3.842 10 0 CHAERN Cc1ccc(N)cc1C(=O)NC1(c2ccccc2)CCCC1 ZINC000262319006 330005758 /nfs/dbraw/zinc/00/57/58/330005758.db2.gz CAGNPJKRNCWNSM-UHFFFAOYSA-N 0 0 294.398 3.777 10 0 CHAERN CSc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-])cc1F ZINC000263396299 330054048 /nfs/dbraw/zinc/05/40/48/330054048.db2.gz GRZHIIMNDCXQHC-GXFFZTMASA-N 0 0 299.411 3.698 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)CCc2ccoc2)c2ccccc21 ZINC000162615002 330087269 /nfs/dbraw/zinc/08/72/69/330087269.db2.gz RKNBDGJPTUBNHP-DYVFJYSZSA-N 0 0 283.371 3.967 10 0 CHAERN C[C@H](Nc1ccc(OC(F)F)cn1)C1CCCC1 ZINC000327941227 330257732 /nfs/dbraw/zinc/25/77/32/330257732.db2.gz XDMKMNZNOCIIKI-VIFPVBQESA-N 0 0 256.296 3.674 10 0 CHAERN CC(=O)Cc1ccc(-c2ccc3c(c2)CCOC3)cc1 ZINC000527590445 330264689 /nfs/dbraw/zinc/26/46/89/330264689.db2.gz SGAGRVYYAJFJCV-UHFFFAOYSA-N 0 0 266.340 3.558 10 0 CHAERN C[C@H](NCc1csnn1)c1ccc(Cl)c(Cl)c1 ZINC000036902028 330310988 /nfs/dbraw/zinc/31/09/88/330310988.db2.gz HCUMADWWWQNUTI-ZETCQYMHSA-N 0 0 288.203 3.696 10 0 CHAERN C[C@H](O)[C@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000044214597 330326680 /nfs/dbraw/zinc/32/66/80/330326680.db2.gz PTTQBJNWCQTKGH-STQMWFEESA-N 0 0 258.317 3.627 10 0 CHAERN COc1ccsc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000105941901 330330877 /nfs/dbraw/zinc/33/08/77/330330877.db2.gz HAHKHLDWRBMYIF-SECBINFHSA-N 0 0 295.791 3.901 10 0 CHAERN CC1(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000119109025 330370243 /nfs/dbraw/zinc/37/02/43/330370243.db2.gz VVILYDSBJQOYDJ-LSDHHAIUSA-N 0 0 279.424 3.517 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C=C3CCC3)C2)cc1 ZINC000087316628 330372693 /nfs/dbraw/zinc/37/26/93/330372693.db2.gz JYPVHRPAJFYXLT-XJKSGUPXSA-N 0 0 285.387 3.510 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536950540 330382237 /nfs/dbraw/zinc/38/22/37/330382237.db2.gz SPOZWPVVSGQMHS-HIFRSBDPSA-N 0 0 290.407 3.820 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@H](C)CSCc1ccccc1 ZINC000121072820 330396027 /nfs/dbraw/zinc/39/60/27/330396027.db2.gz NPBCRYGSSIMZQU-KGLIPLIRSA-N 0 0 279.449 3.717 10 0 CHAERN CCC[C@H](N[C@H](C)c1cccc(O)c1)C(=O)OC(C)(C)C ZINC000194960135 331082719 /nfs/dbraw/zinc/08/27/19/331082719.db2.gz GAEMIWFOLQKSTF-DOMZBBRYSA-N 0 0 293.407 3.553 10 0 CHAERN CO[C@H](Cc1ccccc1)c1noc(-c2c(C)coc2C)n1 ZINC000453251823 331107904 /nfs/dbraw/zinc/10/79/04/331107904.db2.gz MASIOGQVNOEFOU-CQSZACIVSA-N 0 0 298.342 3.877 10 0 CHAERN C=Cn1cc(CNc2nc3c(cccc3C)s2)cn1 ZINC000195003406 331129372 /nfs/dbraw/zinc/12/93/72/331129372.db2.gz YGPUNPHNVQMEAM-UHFFFAOYSA-N 0 0 270.361 3.514 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)OC(C)(C)O2)c1cncs1 ZINC000165665748 331306309 /nfs/dbraw/zinc/30/63/09/331306309.db2.gz LZBIPOYBONAGIX-SECBINFHSA-N 0 0 276.361 3.824 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccoc2)cc1 ZINC000172582317 335109619 /nfs/dbraw/zinc/10/96/19/335109619.db2.gz ZQSZOPNOLDTQIG-DLBZAZTESA-N 0 0 283.371 3.823 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@H](C)CCc1ccccc1F ZINC000173234806 332967360 /nfs/dbraw/zinc/96/73/60/332967360.db2.gz MDTOYNWKYZIXHD-OLZOCXBDSA-N 0 0 265.372 3.555 10 0 CHAERN COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000173766456 332980986 /nfs/dbraw/zinc/98/09/86/332980986.db2.gz GYSGHOVWFRQHCW-KBPBESRZSA-N 0 0 292.423 3.559 10 0 CHAERN C[C@@H](NC(=O)CCC1CCC1)c1cccc(-n2ccnc2)c1 ZINC000176964611 333051284 /nfs/dbraw/zinc/05/12/84/333051284.db2.gz YVTLCNKLRJOIOW-CQSZACIVSA-N 0 0 297.402 3.630 10 0 CHAERN CC1(C)CCC(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000178084746 333067673 /nfs/dbraw/zinc/06/76/73/333067673.db2.gz AKCHYUHNAWCXPN-OAHLLOKOSA-N 0 0 287.403 3.843 10 0 CHAERN Cc1nc(C(=O)N[C@H]2CCCc3ccccc32)c(C)s1 ZINC000178907742 333078420 /nfs/dbraw/zinc/07/84/20/333078420.db2.gz IUZVORYPOKGMJB-AWEZNQCLSA-N 0 0 286.400 3.567 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000178962235 333078657 /nfs/dbraw/zinc/07/86/57/333078657.db2.gz RNIIOTWRPCNZFD-KBPBESRZSA-N 0 0 277.408 3.802 10 0 CHAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235791 333087480 /nfs/dbraw/zinc/08/74/80/333087480.db2.gz IMVMLNUMSJYYIB-NEPJUHHUSA-N 0 0 251.345 3.748 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC000088733139 333091679 /nfs/dbraw/zinc/09/16/79/333091679.db2.gz OUKNIRKHTPUAAN-ZDUSSCGKSA-N 0 0 278.355 3.967 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C)C2)cc1F ZINC000088785544 333092031 /nfs/dbraw/zinc/09/20/31/333092031.db2.gz WUKPTTCDYXFJDG-YPMHNXCESA-N 0 0 278.371 3.637 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCCCCC2)cc1F ZINC000088786098 333092033 /nfs/dbraw/zinc/09/20/33/333092033.db2.gz FVDLAZPEHUAQAK-ZDUSSCGKSA-N 0 0 278.371 3.781 10 0 CHAERN Cc1csc(N(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000183185502 333119460 /nfs/dbraw/zinc/11/94/60/333119460.db2.gz NCGDYBVJZFEWML-CMPLNLGQSA-N 0 0 280.437 3.877 10 0 CHAERN Cc1cnc([C@H](C)NCc2c(C)cc(C)cc2C)o1 ZINC000220926545 333170866 /nfs/dbraw/zinc/17/08/66/333170866.db2.gz WJQYCLUMGKKOQB-AWEZNQCLSA-N 0 0 258.365 3.759 10 0 CHAERN CCOC1CC(CCNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000190032272 333202346 /nfs/dbraw/zinc/20/23/46/333202346.db2.gz OQFXQWGNJKKDLA-CIDNJEQPSA-N 0 0 295.467 3.770 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000190306591 333205407 /nfs/dbraw/zinc/20/54/07/333205407.db2.gz XDTNURLPDIKJPL-UFBFGSQYSA-N 0 0 288.174 3.747 10 0 CHAERN CC(C)c1ccc(CN(C)C(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190553716 333208078 /nfs/dbraw/zinc/20/80/78/333208078.db2.gz IWABKTJRLWENMK-PBHICJAKSA-N 0 0 289.419 3.584 10 0 CHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@H]1C[C@H]1C ZINC000191848889 333226241 /nfs/dbraw/zinc/22/62/41/333226241.db2.gz XKSFIIQXVNQJJN-CDMKHQONSA-N 0 0 272.348 3.510 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@@H]2CCCO[C@@H]2C)C(C)C)c1 ZINC000191893653 333226911 /nfs/dbraw/zinc/22/69/11/333226911.db2.gz JLKJUCXGGVFIIL-HZPDHXFCSA-N 0 0 289.419 3.860 10 0 CHAERN Cc1ccc(C)c(N(C(=O)[C@H]2CCCO[C@H]2C)C(C)C)c1 ZINC000191893683 333226958 /nfs/dbraw/zinc/22/69/58/333226958.db2.gz JLKJUCXGGVFIIL-HOTGVXAUSA-N 0 0 289.419 3.860 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)O1 ZINC000192419926 333235396 /nfs/dbraw/zinc/23/53/96/333235396.db2.gz ZBDMORJKDSXVHL-WKEGUHRASA-N 0 0 292.137 3.639 10 0 CHAERN C[C@H]1CCC[C@@](O)(c2ccccc2Br)C1 ZINC000521400644 333250021 /nfs/dbraw/zinc/25/00/21/333250021.db2.gz CBNWRLJTBYMBBX-GWCFXTLKSA-N 0 0 269.182 3.847 10 0 CHAERN Cc1c(Cl)cccc1C(=O)N[C@H]1COc2ccccc21 ZINC000195393290 333252093 /nfs/dbraw/zinc/25/20/93/333252093.db2.gz ITRJRDYSZAXRPO-AWEZNQCLSA-N 0 0 287.746 3.512 10 0 CHAERN Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000193835265 333258756 /nfs/dbraw/zinc/25/87/56/333258756.db2.gz DMFVHOBHHDBBDW-LBPRGKRZSA-N 0 0 299.418 3.570 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1ccc2ccccc2c1 ZINC000193852329 333259346 /nfs/dbraw/zinc/25/93/46/333259346.db2.gz SSHHYPWPYLCNII-QWQRMKEZSA-N 0 0 297.398 3.690 10 0 CHAERN CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000194161638 333266536 /nfs/dbraw/zinc/26/65/36/333266536.db2.gz FMOVNXVMEGIJDX-LSDHHAIUSA-N 0 0 287.403 3.843 10 0 CHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(Cl)cs1 ZINC000194416534 333270961 /nfs/dbraw/zinc/27/09/61/333270961.db2.gz UPKNDHDSHFJIJI-SECBINFHSA-N 0 0 289.828 3.564 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(C)cc1Br ZINC000229643310 333307215 /nfs/dbraw/zinc/30/72/15/333307215.db2.gz PMHKKFPJVNQPJS-GWCFXTLKSA-N 0 0 296.208 3.676 10 0 CHAERN CC[C@@H](NC(=O)c1cccc(C)c1Br)C(C)C ZINC000229868755 333310562 /nfs/dbraw/zinc/31/05/62/333310562.db2.gz XFLNCEQXTXRPAG-GFCCVEGCSA-N 0 0 298.224 3.922 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000230054948 333312524 /nfs/dbraw/zinc/31/25/24/333312524.db2.gz OQZWKXJJFVTPCJ-PWSUYJOCSA-N 0 0 296.208 3.502 10 0 CHAERN CC[C@@](C)(CCO)Nc1ncc(C(F)(F)F)cc1Cl ZINC000230216343 333315869 /nfs/dbraw/zinc/31/58/69/333315869.db2.gz DOEAMPXLHLRFGE-NSHDSACASA-N 0 0 296.720 3.717 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(Br)c1C ZINC000231691643 333328091 /nfs/dbraw/zinc/32/80/91/333328091.db2.gz XWEOZEFSGNJLNP-MFKMUULPSA-N 0 0 296.208 3.676 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)OC2CCCCCC2)o1 ZINC000123361927 333479890 /nfs/dbraw/zinc/47/98/90/333479890.db2.gz UHUAULLIVMNQHP-KGLIPLIRSA-N 0 0 293.407 3.893 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000123375206 333482799 /nfs/dbraw/zinc/48/27/99/333482799.db2.gz IBBKIGGOSBSIGF-QPUJVOFHSA-N 0 0 279.792 3.622 10 0 CHAERN COC(=O)Nc1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000037776211 333539304 /nfs/dbraw/zinc/53/93/04/333539304.db2.gz SUFDJTZPSUOXBS-INIZCTEOSA-N 0 0 282.343 3.964 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(F)c(F)cc1F ZINC000123785968 333553098 /nfs/dbraw/zinc/55/30/98/333553098.db2.gz DHICNLUSUVSWDH-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)O1 ZINC000124892420 333562208 /nfs/dbraw/zinc/56/22/08/333562208.db2.gz UHJPZSCXWYXFFJ-GUYCJALGSA-N 0 0 297.354 3.985 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C)CCC2)cc1 ZINC000125339510 333566009 /nfs/dbraw/zinc/56/60/09/333566009.db2.gz OYVUTIQFJNLCSF-HOTGVXAUSA-N 0 0 271.404 3.972 10 0 CHAERN COc1ccc([C@H](C)C(=O)NCCCC(C)(C)C)cc1 ZINC000126579558 333600286 /nfs/dbraw/zinc/60/02/86/333600286.db2.gz PBASWIPYGXGBKA-ZDUSSCGKSA-N 0 0 277.408 3.741 10 0 CHAERN CCN(CC)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000127082987 333619209 /nfs/dbraw/zinc/61/92/09/333619209.db2.gz JCIIIJYHMMPIBM-CQSZACIVSA-N 0 0 292.423 3.834 10 0 CHAERN O=C(CC1CCCC1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128911206 333726230 /nfs/dbraw/zinc/72/62/30/333726230.db2.gz PJFNTMSSVUIJDS-CQSZACIVSA-N 0 0 299.336 3.857 10 0 CHAERN C[C@H](NC(=O)N(C)C1CCC1)c1ccc(Cl)s1 ZINC000073669813 333976654 /nfs/dbraw/zinc/97/66/54/333976654.db2.gz HKQZLGLIFSEQHK-QMMMGPOBSA-N 0 0 272.801 3.656 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cccc(N3CCCC3=O)c2)C1 ZINC000080428406 334171278 /nfs/dbraw/zinc/17/12/78/334171278.db2.gz IDZKFGPQEYVRMY-UKRRQHHQSA-N 0 0 272.392 3.804 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000245428502 334192298 /nfs/dbraw/zinc/19/22/98/334192298.db2.gz XICQJKAGLUSVCT-ZAZJYDDPSA-N 0 0 294.826 3.882 10 0 CHAERN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000245428500 334192299 /nfs/dbraw/zinc/19/22/99/334192299.db2.gz XICQJKAGLUSVCT-BLTAXRJOSA-N 0 0 294.826 3.882 10 0 CHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245910920 334223740 /nfs/dbraw/zinc/22/37/40/334223740.db2.gz MJOYAJAQSGBQDN-TWMKSMIVSA-N 0 0 287.378 3.756 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246063243 334229145 /nfs/dbraw/zinc/22/91/45/334229145.db2.gz ZHWSZFDBXQEWJA-LESCFKLSSA-N 0 0 293.357 3.763 10 0 CHAERN CCn1ccnc1COc1ccccc1C(F)(F)F ZINC000083091698 334250792 /nfs/dbraw/zinc/25/07/92/334250792.db2.gz QYKKDUXNGFNVGR-UHFFFAOYSA-N 0 0 270.254 3.501 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246397122 334255803 /nfs/dbraw/zinc/25/58/03/334255803.db2.gz XDEIYMIKAKLQGC-DVOMOZLQSA-N 0 0 275.392 3.556 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)o1 ZINC000246473416 334259347 /nfs/dbraw/zinc/25/93/47/334259347.db2.gz KPFMVUDCVNSXMV-KKUMJFAQSA-N 0 0 273.376 3.688 10 0 CHAERN CC[C@@H]1CCC[C@@H](CN2CCO[C@@H](c3nccs3)C2)C1 ZINC000248497345 334304251 /nfs/dbraw/zinc/30/42/51/334304251.db2.gz RFSXHLVDKSGJRS-RBSFLKMASA-N 0 0 294.464 3.733 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC(C)(C)C1 ZINC000248619637 334309398 /nfs/dbraw/zinc/30/93/98/334309398.db2.gz XRVZIQMMOPIZBC-CWVYHPPDSA-N 0 0 293.451 3.523 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCSC[C@@H](C)C2)CC(C)(C)C1 ZINC000248992834 334323943 /nfs/dbraw/zinc/32/39/43/334323943.db2.gz HKNMUPIBAYXGDE-RDBSUJKOSA-N 0 0 283.481 3.660 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249287600 334331353 /nfs/dbraw/zinc/33/13/53/334331353.db2.gz JEJIEWBWRHMADN-WYUUTHIRSA-N 0 0 277.330 3.516 10 0 CHAERN CC(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000249293559 334331537 /nfs/dbraw/zinc/33/15/37/334331537.db2.gz BMOOYMMBOMXQIT-PMPSAXMXSA-N 0 0 281.440 3.619 10 0 CHAERN C[C@H]1C[C@H](Nc2cccc(Cn3cncn3)c2)C[C@@H](C)C1 ZINC000252105082 334373721 /nfs/dbraw/zinc/37/37/21/334373721.db2.gz IUVPUFNFFQJBNO-HALDLXJZSA-N 0 0 284.407 3.563 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(C)c2c(Cl)cccc2Cl)O1 ZINC000093262185 334451881 /nfs/dbraw/zinc/45/18/81/334451881.db2.gz GCJNWMYJPRNARR-GZMMTYOYSA-N 0 0 288.174 3.524 10 0 CHAERN CCC(C)(C)NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000163059251 334462939 /nfs/dbraw/zinc/46/29/39/334462939.db2.gz XNEQXQBTRLRPHF-VHSXEESVSA-N 0 0 280.334 3.595 10 0 CHAERN CCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000153043650 334549361 /nfs/dbraw/zinc/54/93/61/334549361.db2.gz RLVPHCYOJKLFKN-CHWSQXEVSA-N 0 0 273.367 3.707 10 0 CHAERN CC(C)N(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000153132320 334560081 /nfs/dbraw/zinc/56/00/81/334560081.db2.gz WVQZKGAPKVPMOL-WFASDCNBSA-N 0 0 260.381 3.675 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1cccs1 ZINC000153268619 334579086 /nfs/dbraw/zinc/57/90/86/334579086.db2.gz IINFDAQEGQJXLW-ZDUSSCGKSA-N 0 0 275.348 3.695 10 0 CHAERN COc1ccc([C@H](C)C(=O)N[C@@H]2CCCCC2(C)C)cc1 ZINC000157212657 334763664 /nfs/dbraw/zinc/76/36/64/334763664.db2.gz BUCCWQCVMAZZNC-XJKSGUPXSA-N 0 0 289.419 3.884 10 0 CHAERN COc1ccc([C@@H](C)C(=O)N[C@H]2CCCCC2(C)C)cc1 ZINC000157213095 334763796 /nfs/dbraw/zinc/76/37/96/334763796.db2.gz BUCCWQCVMAZZNC-CJNGLKHVSA-N 0 0 289.419 3.884 10 0 CHAERN CCCCO[C@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157628264 334778498 /nfs/dbraw/zinc/77/84/98/334778498.db2.gz BVNGBFZBFDBAGA-MLGOLLRUSA-N 0 0 293.382 3.525 10 0 CHAERN Cc1cc(Cl)c(NC(=O)[C@@H]2CC[C@H](C)O2)cc1Cl ZINC000157631603 334778786 /nfs/dbraw/zinc/77/87/86/334778786.db2.gz RIAYCQRKKFUVDZ-UFBFGSQYSA-N 0 0 288.174 3.808 10 0 CHAERN C[C@@H](C(=O)N[C@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000157706401 334781277 /nfs/dbraw/zinc/78/12/77/334781277.db2.gz HURBJQAHYFKPPH-PXAZEXFGSA-N 0 0 298.361 3.518 10 0 CHAERN COCCC1(C(=O)N[C@@H](C)c2ccccc2C)CCCC1 ZINC000158192530 334795078 /nfs/dbraw/zinc/79/50/78/334795078.db2.gz CUVFBFDGYDZTAP-HNNXBMFYSA-N 0 0 289.419 3.769 10 0 CHAERN CC(C)OCCCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182333930 335811081 /nfs/dbraw/zinc/81/10/81/335811081.db2.gz UNWLJLRDQQVXMJ-CABCVRRESA-N 0 0 283.456 3.770 10 0 CHAERN Cc1cnn([C@H]2CCCN(Cc3sccc3Cl)C2)c1 ZINC000194389167 336019518 /nfs/dbraw/zinc/01/95/18/336019518.db2.gz HIDYBSMOPRKKNX-LBPRGKRZSA-N 0 0 295.839 3.744 10 0 CHAERN Cn1c(COc2cccc(Cl)c2Cl)nnc1C1CC1 ZINC000194657960 336036158 /nfs/dbraw/zinc/03/61/58/336036158.db2.gz BLBUQLXANOXXRI-UHFFFAOYSA-N 0 0 298.173 3.578 10 0 CHAERN Cc1ccc(C)c(SCc2nnc(C(C)C)n2C)c1 ZINC000194667678 336036599 /nfs/dbraw/zinc/03/65/99/336036599.db2.gz SGGDXBGWLXCEBE-UHFFFAOYSA-N 0 0 275.421 3.848 10 0 CHAERN FCC[C@H]1CCC[C@H]1Nc1cncc(Br)c1 ZINC000381841638 336074112 /nfs/dbraw/zinc/07/41/12/336074112.db2.gz QKALACZHXXCKHY-BXKDBHETSA-N 0 0 287.176 3.784 10 0 CHAERN CCc1nc(C)cc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000381852511 336074500 /nfs/dbraw/zinc/07/45/00/336074500.db2.gz SZCFWSMIAGIRHH-NSHDSACASA-N 0 0 275.783 3.596 10 0 CHAERN CC(C)n1ccnc(N[C@@H](C)c2ccc(Cl)s2)c1=O ZINC000061764811 520021720 /nfs/dbraw/zinc/02/17/20/520021720.db2.gz TWNPRQZMZPAQSC-VIFPVBQESA-N 0 0 297.811 3.712 10 0 CHAERN CCOC(=O)C(C)(C)c1ccc(SC(F)F)cc1 ZINC000052233442 520424598 /nfs/dbraw/zinc/42/45/98/520424598.db2.gz CALWUXIOOFCKAJ-UHFFFAOYSA-N 0 0 274.332 3.842 10 0 CHAERN CCOc1ccc([C@](C)(O)[C@H](C)CC)cc1OCC ZINC000055192783 521278062 /nfs/dbraw/zinc/27/80/62/521278062.db2.gz ANZQCBZHYACKRW-MLGOLLRUSA-N 0 0 266.381 3.738 10 0 CHAERN CC[C@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000193342946 517796489 /nfs/dbraw/zinc/79/64/89/517796489.db2.gz VXDFZCMFGWFPDS-IRXDYDNUSA-N 0 0 297.402 3.657 10 0 CHAERN CC(=O)c1c(C)nn(Cc2c(F)cccc2Cl)c1C ZINC000054716034 518238811 /nfs/dbraw/zinc/23/88/11/518238811.db2.gz UWLIFQJUFUOQGG-UHFFFAOYSA-N 0 0 280.730 3.543 10 0 CHAERN CC(=O)c1ccc(N2C[C@@H](C)OC(C)(C)C2)c(Cl)c1 ZINC000061694226 518353037 /nfs/dbraw/zinc/35/30/37/518353037.db2.gz GMNMCCMFOXTWBW-SNVBAGLBSA-N 0 0 281.783 3.546 10 0 CHAERN CC(=O)c1sc(N(C)[C@H]2CCCC[C@@H]2C)nc1C ZINC000054863408 518496684 /nfs/dbraw/zinc/49/66/84/518496684.db2.gz CLWSAJOXSFZZQY-CABZTGNLSA-N 0 0 266.410 3.669 10 0 CHAERN CC(C)(C)C1CCC(O)(c2cncc(F)c2)CC1 ZINC000049576910 518605899 /nfs/dbraw/zinc/60/58/99/518605899.db2.gz PBAYJKVQZGKMNN-UHFFFAOYSA-N 0 0 251.345 3.645 10 0 CHAERN CC(C)(C)Nc1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000062793442 518774890 /nfs/dbraw/zinc/77/48/90/518774890.db2.gz RTTPNFYQQDZQPO-UHFFFAOYSA-N 0 0 269.707 3.740 10 0 CHAERN CC(=O)Cc1ccc(-c2ccc(Cl)cc2F)o1 ZINC000062769981 519438741 /nfs/dbraw/zinc/43/87/41/519438741.db2.gz DBMTZALTMUIWIF-UHFFFAOYSA-N 0 0 252.672 3.871 10 0 CHAERN CC(C)C(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000110513768 519477611 /nfs/dbraw/zinc/47/76/11/519477611.db2.gz OFCFLDSFBHQXNX-CQSZACIVSA-N 0 0 295.810 3.675 10 0 CHAERN CC(C)Nc1cc(-c2ccc(F)c(Br)c2)[nH]n1 ZINC000062668394 519740899 /nfs/dbraw/zinc/74/08/99/519740899.db2.gz OGBDPCZPJAVBAT-UHFFFAOYSA-N 0 0 298.159 3.799 10 0 CHAERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1O ZINC000055482302 519772299 /nfs/dbraw/zinc/77/22/99/519772299.db2.gz OVUJUSWFJVWUQH-SNVBAGLBSA-N 0 0 269.772 3.552 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000056783508 519792028 /nfs/dbraw/zinc/79/20/28/519792028.db2.gz ZWUIQKRYIRTGRH-CZUORRHYSA-N 0 0 292.398 3.587 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCC(N)=S ZINC000049582989 519803259 /nfs/dbraw/zinc/80/32/59/519803259.db2.gz OTYYJDAIHUTWSH-HZSPNIEDSA-N 0 0 271.470 3.920 10 0 CHAERN CC(C)c1cc(N)nc(-c2cc3ccccc3o2)n1 ZINC000050867027 519833035 /nfs/dbraw/zinc/83/30/35/519833035.db2.gz HSUDMBHDVSYUMH-UHFFFAOYSA-N 0 0 253.305 3.595 10 0 CHAERN CC(C)c1ccc(N2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 ZINC000054600870 519836750 /nfs/dbraw/zinc/83/67/50/519836750.db2.gz HVZHGENVUOIBTH-IYBDPMFKSA-N 0 0 257.377 3.900 10 0 CHAERN CCC1CCC(N(C)c2cc(C)nc(Cl)n2)CC1 ZINC000052814573 519853890 /nfs/dbraw/zinc/85/38/90/519853890.db2.gz RNHSOIXNYJNCMK-UHFFFAOYSA-N 0 0 267.804 3.843 10 0 CHAERN CCC1CCC(NC(=O)N(CC)Cc2ccccn2)CC1 ZINC000084152912 519854933 /nfs/dbraw/zinc/85/49/33/519854933.db2.gz YBLZLUUXYAOWIK-UHFFFAOYSA-N 0 0 289.423 3.582 10 0 CHAERN CCCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000041174412 519909462 /nfs/dbraw/zinc/90/94/62/519909462.db2.gz UKKJAKDSUGNEBX-HNNXBMFYSA-N 0 0 275.392 3.555 10 0 CHAERN CCCNc1ccc(Cl)cc1C(=O)NCC(C)C ZINC000050725650 520163063 /nfs/dbraw/zinc/16/30/63/520163063.db2.gz XVVQJEIMUWMELF-UHFFFAOYSA-N 0 0 268.788 3.548 10 0 CHAERN CCCNc1ncccc1COc1cccc(C)c1 ZINC000052734652 520196875 /nfs/dbraw/zinc/19/68/75/520196875.db2.gz GSOMFXCVWAPKIU-UHFFFAOYSA-N 0 0 256.349 3.791 10 0 CHAERN CCNc1nc2c(F)cc(F)c(F)c2cc1CC ZINC000063118717 520359998 /nfs/dbraw/zinc/35/99/98/520359998.db2.gz WHIUBOJGPFINEB-UHFFFAOYSA-N 0 0 254.255 3.646 10 0 CHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccs2)C12CCCC2 ZINC000150803611 520405249 /nfs/dbraw/zinc/40/52/49/520405249.db2.gz DELVZOADFIGNBZ-UONOGXRCSA-N 0 0 293.432 3.558 10 0 CHAERN CCCCN(c1cc(Cl)nc(C)n1)[C@@H](C)CC ZINC000052837073 520552718 /nfs/dbraw/zinc/55/27/18/520552718.db2.gz FGUFBDNGDADEEN-JTQLQIEISA-N 0 0 255.793 3.843 10 0 CHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccs2)C12CCCC2 ZINC000150803634 520565643 /nfs/dbraw/zinc/56/56/43/520565643.db2.gz DELVZOADFIGNBZ-KBPBESRZSA-N 0 0 293.432 3.558 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccccc2COC)C12CCC2 ZINC000087709532 520578139 /nfs/dbraw/zinc/57/81/39/520578139.db2.gz FUADHFOIVGICEJ-HOTGVXAUSA-N 0 0 275.392 3.593 10 0 CHAERN CCCCOCc1cc2ccccc2nc1NCC ZINC000050833013 520809692 /nfs/dbraw/zinc/80/96/92/520809692.db2.gz VXVCIOMSSFVFPF-UHFFFAOYSA-N 0 0 258.365 3.983 10 0 CHAERN CCOc1cccc(C(=O)c2ccc(F)cc2F)c1 ZINC000055238539 521326638 /nfs/dbraw/zinc/32/66/38/521326638.db2.gz VSGOIVCJNMGLNV-UHFFFAOYSA-N 0 0 262.255 3.595 10 0 CHAERN CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000188171761 521339773 /nfs/dbraw/zinc/33/97/73/521339773.db2.gz LMODVXQGJYVWJU-SWLSCSKDSA-N 0 0 295.810 3.504 10 0 CHAERN CCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1 ZINC000050866628 521366310 /nfs/dbraw/zinc/36/63/10/521366310.db2.gz GTRNKGAAEVJHCM-UHFFFAOYSA-N 0 0 255.365 3.604 10 0 CHAERN CCCc1cc(Cl)nc(-c2ccccc2F)n1 ZINC000045955936 521366408 /nfs/dbraw/zinc/36/64/08/521366408.db2.gz IKUIJWFIMGSGPA-UHFFFAOYSA-N 0 0 250.704 3.889 10 0 CHAERN CCCc1cc2nc(C)oc2c(Br)c1 ZINC000062536926 521386131 /nfs/dbraw/zinc/38/61/31/521386131.db2.gz FBPINKJEUFEDAR-UHFFFAOYSA-N 0 0 254.127 3.851 10 0 CHAERN CCCN(C(=O)c1cc(C)ccc1NCC)C(C)C ZINC000053000998 521440863 /nfs/dbraw/zinc/44/08/63/521440863.db2.gz SHNUUCTYLXJRDK-UHFFFAOYSA-N 0 0 262.397 3.687 10 0 CHAERN CCOc1ccccc1NCCOCCC(C)C ZINC000049265404 521554337 /nfs/dbraw/zinc/55/43/37/521554337.db2.gz BSVOVAOOCCRNFK-UHFFFAOYSA-N 0 0 251.370 3.560 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](C)C1CCCCC1 ZINC000052341426 521569516 /nfs/dbraw/zinc/56/95/16/521569516.db2.gz QMVDVVCFZVJPTN-JTQLQIEISA-N 0 0 253.415 3.661 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2ccncc2Cl)C1 ZINC000226804398 521732795 /nfs/dbraw/zinc/73/27/95/521732795.db2.gz BZQLRIFIZZEOFL-ZJUUUORDSA-N 0 0 256.802 3.821 10 0 CHAERN CCSc1ccc(Cl)cc1NC(=O)[C@@H](C)COC ZINC000104483039 521748774 /nfs/dbraw/zinc/74/87/74/521748774.db2.gz GHBGGWMMDYUITN-VIFPVBQESA-N 0 0 287.812 3.673 10 0 CHAERN CC[C@H](C)c1ccc(NCc2ccnc(C)n2)cc1 ZINC000054790295 522039418 /nfs/dbraw/zinc/03/94/18/522039418.db2.gz MQXSTVHMQZBAMC-LBPRGKRZSA-N 0 0 255.365 3.911 10 0 CHAERN COc1cc(C(=O)CCC(C)C)cc(Cl)c1OC ZINC000053766965 522051303 /nfs/dbraw/zinc/05/13/03/522051303.db2.gz NJEWEKJPWBTSBO-UHFFFAOYSA-N 0 0 270.756 3.976 10 0 CHAERN CCc1csc([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)n1 ZINC000113206150 522113343 /nfs/dbraw/zinc/11/33/43/522113343.db2.gz PKPINYCDQDRXMP-GFCCVEGCSA-N 0 0 294.464 3.848 10 0 CHAERN CCc1csc([C@@H]2CCCN(C(=O)C[C@@H](C)CC)C2)n1 ZINC000191781278 522114410 /nfs/dbraw/zinc/11/44/10/522114410.db2.gz QNISATDYRKLDFS-QWHCGFSZSA-N 0 0 294.464 3.848 10 0 CHAERN COC(=O)c1sc(Sc2ccoc2C)nc1Cl ZINC000227586116 522432286 /nfs/dbraw/zinc/43/22/86/522432286.db2.gz GSLGSYFQCCZJHW-UHFFFAOYSA-N 0 0 289.765 3.636 10 0 CHAERN CCc1nc2cc(N[C@@H](C)c3cn(C)nc3C)ccc2o1 ZINC000087409140 522495166 /nfs/dbraw/zinc/49/51/66/522495166.db2.gz MWBMHNSBALQPHU-JTQLQIEISA-N 0 0 284.363 3.605 10 0 CHAERN CC[C@H](NC(=O)c1cc(N)c(C)s1)c1cccs1 ZINC000049528217 522524758 /nfs/dbraw/zinc/52/47/58/522524758.db2.gz DUVQEHSERTZXFW-JTQLQIEISA-N 0 0 280.418 3.581 10 0 CHAERN CNc1cc(CSc2ccc(F)cc2F)ccn1 ZINC000052756282 522568330 /nfs/dbraw/zinc/56/83/30/522568330.db2.gz WYHRHSCOXLJAER-UHFFFAOYSA-N 0 0 266.316 3.694 10 0 CHAERN CNc1ccc(Cl)c(CN(C)c2ccc(F)cc2)n1 ZINC000061638403 522622857 /nfs/dbraw/zinc/62/28/57/522622857.db2.gz IWQSBEFXAYARBP-UHFFFAOYSA-N 0 0 279.746 3.552 10 0 CHAERN Clc1ccccc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114203164 534649488 /nfs/dbraw/zinc/64/94/88/534649488.db2.gz HCCRFYRYSBWQBY-HNNXBMFYSA-N 0 0 275.783 3.790 10 0 CHAERN CNc1nc(-c2c(C)cc(C)cc2C)nc(C)c1C ZINC000050865891 522675578 /nfs/dbraw/zinc/67/55/78/522675578.db2.gz HZHIBAMHJSZYMR-UHFFFAOYSA-N 0 0 255.365 3.727 10 0 CHAERN CC[C@H](O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000054723528 522826430 /nfs/dbraw/zinc/82/64/30/522826430.db2.gz OADJMVGOQUNAQJ-AWEZNQCLSA-N 0 0 278.783 3.645 10 0 CHAERN COCCC1(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000125078882 523013390 /nfs/dbraw/zinc/01/33/90/523013390.db2.gz XBHRMFSWOBKQOJ-CZUORRHYSA-N 0 0 287.403 3.558 10 0 CHAERN COCc1cccc(-n2c3ccccc3[nH]c2=S)c1 ZINC000049510186 523024438 /nfs/dbraw/zinc/02/44/38/523024438.db2.gz BRBQVNNNQNELFM-UHFFFAOYSA-N 0 0 270.357 3.834 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061518615 523223971 /nfs/dbraw/zinc/22/39/71/523223971.db2.gz MTOKIJMCEOKUIQ-HTQZYQBOSA-N 0 0 275.183 3.559 10 0 CHAERN CN(Cc1ccc(Cl)cc1N)c1ccc(F)cc1 ZINC000050443260 523229941 /nfs/dbraw/zinc/22/99/41/523229941.db2.gz YOHKTZHMKXFGDR-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN CC[C@@H]1CC[C@H](c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)O1 ZINC000299743594 523370285 /nfs/dbraw/zinc/37/02/85/523370285.db2.gz LNGGWAGUHOZXTL-XQHKEYJVSA-N 0 0 294.395 3.618 10 0 CHAERN CN(c1cccc(Cl)c1C(N)=S)C1CCCCC1 ZINC000052903960 523646936 /nfs/dbraw/zinc/64/69/36/523646936.db2.gz KOKVNGKNILEKLX-UHFFFAOYSA-N 0 0 282.840 3.743 10 0 CHAERN CO[C@@H]1CCC[C@H]1Nc1nc2cc(Cl)ccc2s1 ZINC000050375864 523664468 /nfs/dbraw/zinc/66/44/68/523664468.db2.gz NZQDDRSHPWCZRB-MWLCHTKSSA-N 0 0 282.796 3.929 10 0 CHAERN COc1ccc(C(=O)[C@@H]2CCC[C@@H](C)C2)cc1F ZINC000055262669 523775766 /nfs/dbraw/zinc/77/57/66/523775766.db2.gz WDTCTUMOGOETQQ-GHMZBOCLSA-N 0 0 250.313 3.843 10 0 CHAERN COc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000062791743 523782156 /nfs/dbraw/zinc/78/21/56/523782156.db2.gz SFVFQJIJTIWDDY-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN CCc1cc(NC)nc(-c2ccc(F)cc2Cl)n1 ZINC000061847503 523819565 /nfs/dbraw/zinc/81/95/65/523819565.db2.gz TUMUYNOVQJXHLY-UHFFFAOYSA-N 0 0 265.719 3.540 10 0 CHAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(CCO)cc1 ZINC000040738140 523854533 /nfs/dbraw/zinc/85/45/33/523854533.db2.gz KCRLKSULIVGFRI-CQSZACIVSA-N 0 0 285.387 3.712 10 0 CHAERN COc1ccc(CC(=O)C2CCCC2)cc1Br ZINC000049598226 523887756 /nfs/dbraw/zinc/88/77/56/523887756.db2.gz OXPAPJMPFSEQQC-UHFFFAOYSA-N 0 0 297.192 3.760 10 0 CHAERN CCc1ccc(Oc2c(F)cc(CO)cc2F)cc1 ZINC000062722560 524008798 /nfs/dbraw/zinc/00/87/98/524008798.db2.gz UEDFGWWTUQOEEM-UHFFFAOYSA-N 0 0 264.271 3.812 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cscn2)o1 ZINC000128371229 524035681 /nfs/dbraw/zinc/03/56/81/524035681.db2.gz VFXPZOBZBZENQY-ZDUSSCGKSA-N 0 0 290.388 3.666 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccco2)o1 ZINC000128448382 524035759 /nfs/dbraw/zinc/03/57/59/524035759.db2.gz RFBPDWZWBORYID-ZDUSSCGKSA-N 0 0 273.332 3.802 10 0 CHAERN CCc1ccc([C@H](O)[C@@H](C)Oc2ccccc2)cc1 ZINC000055352071 524051733 /nfs/dbraw/zinc/05/17/33/524051733.db2.gz OXPSIZAULXWQNK-CXAGYDPISA-N 0 0 256.345 3.750 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)C2CC=CC2)o1 ZINC000128536726 524053297 /nfs/dbraw/zinc/05/32/97/524053297.db2.gz XEQHHYUJOLHUHJ-OAHLLOKOSA-N 0 0 273.376 3.862 10 0 CHAERN COc1ccc(C[C@@H]2CCCCC2=O)cc1Br ZINC000049596763 524140367 /nfs/dbraw/zinc/14/03/67/524140367.db2.gz QEDYGVFURTYKCS-NSHDSACASA-N 0 0 297.192 3.760 10 0 CHAERN COc1ccc(Cl)cc1-c1nc(-c2cccs2)n[nH]1 ZINC000054699993 524190607 /nfs/dbraw/zinc/19/06/07/524190607.db2.gz IYWHMBCPKQFSPI-UHFFFAOYSA-N 0 0 291.763 3.862 10 0 CHAERN C[C@H](CCc1ccco1)Nc1ccc(Cl)cc1N ZINC000049564486 524263180 /nfs/dbraw/zinc/26/31/80/524263180.db2.gz CGFPFTOSLHVHKK-SNVBAGLBSA-N 0 0 264.756 3.948 10 0 CHAERN Cc1ccc(CC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000125120648 524270894 /nfs/dbraw/zinc/27/08/94/524270894.db2.gz JLMIYGUAMIVSKQ-FZKQIMNGSA-N 0 0 294.398 3.687 10 0 CHAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc2ncccc21 ZINC000103368186 524277005 /nfs/dbraw/zinc/27/70/05/524277005.db2.gz TXCKJNIHUITPPH-CHWSQXEVSA-N 0 0 268.360 3.638 10 0 CHAERN COc1ccc(F)c(N[C@H](C)c2csc(C)n2)c1 ZINC000094854190 524293431 /nfs/dbraw/zinc/29/34/31/524293431.db2.gz WATCZRUKRHUAJC-MRVPVSSYSA-N 0 0 266.341 3.772 10 0 CHAERN Cc1ccc(CN(C)c2cc(Cl)nc(C)n2)cc1F ZINC000302722270 524401095 /nfs/dbraw/zinc/40/10/95/524401095.db2.gz MSCARVYNSUNQOU-UHFFFAOYSA-N 0 0 279.746 3.522 10 0 CHAERN Cc1cccc(COC(=O)c2ccc(Cl)cc2N)c1 ZINC000070136155 524444912 /nfs/dbraw/zinc/44/49/12/524444912.db2.gz OHLHSMZGJTWCTA-UHFFFAOYSA-N 0 0 275.735 3.588 10 0 CHAERN C[C@H](CNc1ccccc1)Oc1cc(F)cc(F)c1 ZINC000054934851 524509843 /nfs/dbraw/zinc/50/98/43/524509843.db2.gz FRMUFLNDIKYRNC-LLVKDONJSA-N 0 0 263.287 3.844 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)O1 ZINC000151486627 524552320 /nfs/dbraw/zinc/55/23/20/524552320.db2.gz JWNDGQDBOZMDTQ-XWIAVFTESA-N 0 0 299.414 3.623 10 0 CHAERN Cc1ccc(C[C@@H](O)C(C)(C)c2ccccc2)cc1 ZINC000062772975 524665898 /nfs/dbraw/zinc/66/58/98/524665898.db2.gz MKYIYWDJMDWRCT-QGZVFWFLSA-N 0 0 254.373 3.876 10 0 CHAERN COc1ccc(NC(C)=O)cc1NC1CCCCCC1 ZINC000037055242 524672192 /nfs/dbraw/zinc/67/21/92/524672192.db2.gz YPYUVUQECAPYPJ-UHFFFAOYSA-N 0 0 276.380 3.788 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)c2ccc(N)nc2)c1Cl ZINC000050694293 524711507 /nfs/dbraw/zinc/71/15/07/524711507.db2.gz MFSXYCPXIKIAFL-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Cc1ccc(Cl)cc1N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600776 524738363 /nfs/dbraw/zinc/73/83/63/524738363.db2.gz WDYHZOGHYSCALK-BETUJISGSA-N 0 0 263.768 3.739 10 0 CHAERN Cc1cc(CO)ccc1N(C)Cc1ccc(Cl)cc1 ZINC000050560984 524794343 /nfs/dbraw/zinc/79/43/43/524794343.db2.gz KVOWPBHBENAAOY-UHFFFAOYSA-N 0 0 275.779 3.777 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C)O2)c1C ZINC000156276831 524849508 /nfs/dbraw/zinc/84/95/08/524849508.db2.gz MWGPTLVDOHBACC-RRQGHBQHSA-N 0 0 287.403 3.534 10 0 CHAERN Cc1ccc(N(C)c2nc3c(s2)C(=O)CCC3)cc1 ZINC000054863062 524890059 /nfs/dbraw/zinc/89/00/59/524890059.db2.gz ZSRDVIQLCYRTPH-UHFFFAOYSA-N 0 0 272.373 3.738 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000049374026 524898025 /nfs/dbraw/zinc/89/80/25/524898025.db2.gz WVIBXRYKBUOUOD-RYUDHWBXSA-N 0 0 275.735 3.984 10 0 CHAERN C[C@H](NC(=O)C1=COCCC1)c1ccc2ccccc2c1 ZINC000068317131 524904226 /nfs/dbraw/zinc/90/42/26/524904226.db2.gz ZAHWRXITPOBXPP-ZDUSSCGKSA-N 0 0 281.355 3.711 10 0 CHAERN Cc1cccc([S@@](=O)Cc2ccc(Cl)cc2N)c1 ZINC000050445333 524909527 /nfs/dbraw/zinc/90/95/27/524909527.db2.gz CEOUNXOCXGTRSV-GOSISDBHSA-N 0 0 279.792 3.538 10 0 CHAERN C[C@H]1C[C@H](Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1 ZINC000061517744 524937333 /nfs/dbraw/zinc/93/73/33/524937333.db2.gz VBTKVBFSNFHXOI-YUMQZZPRSA-N 0 0 290.194 3.772 10 0 CHAERN C[C@H]1C[C@H]1c1[nH]nc(N)c1-c1ccccc1Br ZINC000055333992 524972960 /nfs/dbraw/zinc/97/29/60/524972960.db2.gz WTIINLSFYIZKGM-IONNQARKSA-N 0 0 292.180 3.545 10 0 CHAERN C[C@H](NC(=O)N(C)C1CCC1)c1ccc(F)c(Cl)c1 ZINC000073866468 524997529 /nfs/dbraw/zinc/99/75/29/524997529.db2.gz XCLZAXLZUPWCHG-VIFPVBQESA-N 0 0 284.762 3.734 10 0 CHAERN Cc1cc(N2CCC[C@@H]3CCCC[C@@H]32)ccc1CO ZINC000050582878 525068850 /nfs/dbraw/zinc/06/88/50/525068850.db2.gz KXIPOLVYFXITBA-YOEHRIQHSA-N 0 0 259.393 3.646 10 0 CHAERN C[C@](N)(c1nc2cc(Cl)ccc2o1)c1ccccc1 ZINC000052879501 525149859 /nfs/dbraw/zinc/14/98/59/525149859.db2.gz CWQDMNDARBINFB-OAHLLOKOSA-N 0 0 272.735 3.703 10 0 CHAERN C[C@@H](NC(=O)N1CCCC1)c1ccc2ccccc2c1 ZINC000054103709 525161886 /nfs/dbraw/zinc/16/18/86/525161886.db2.gz REZAFNDTUUMHKA-CYBMUJFWSA-N 0 0 268.360 3.706 10 0 CHAERN COc1ccc([C@@H](C)Nc2ccnc(Cl)c2)cc1OC ZINC000129845748 525164685 /nfs/dbraw/zinc/16/46/85/525164685.db2.gz BPAYBVNYJQFEPC-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN C[C@](O)(COc1ccc(F)cc1Cl)c1ccccc1 ZINC000052098102 525183646 /nfs/dbraw/zinc/18/36/46/525183646.db2.gz YRTRFMHLYXAMQW-HNNXBMFYSA-N 0 0 280.726 3.766 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117560888 525226149 /nfs/dbraw/zinc/22/61/49/525226149.db2.gz BIYCIXQWLXOALT-DYVFJYSZSA-N 0 0 281.355 3.807 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccco2)c(C)c1 ZINC000049374538 525226377 /nfs/dbraw/zinc/22/63/77/525226377.db2.gz WALADTVYFZENQG-OLZOCXBDSA-N 0 0 255.317 3.639 10 0 CHAERN COc1ccc([C@H](C)Nc2ccnc(C3CC3)n2)cc1OC ZINC000264632932 525337930 /nfs/dbraw/zinc/33/79/30/525337930.db2.gz KMNIRHPBKQCAST-NSHDSACASA-N 0 0 299.374 3.544 10 0 CHAERN COc1ccc([C@H](O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791888 525378723 /nfs/dbraw/zinc/37/87/23/525378723.db2.gz YTRSHYWDZDYXCK-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN Cc1cc([C@H](C)N2[C@@H]3CCC[C@H]2CC(=O)C3)c(C)o1 ZINC000054601209 525501745 /nfs/dbraw/zinc/50/17/45/525501745.db2.gz NKWVDPKTTNVZTK-FPMFFAJLSA-N 0 0 261.365 3.543 10 0 CHAERN Cc1cc([C@H](CO)Nc2ccccc2Cl)ccc1F ZINC000050559557 525535789 /nfs/dbraw/zinc/53/57/89/525535789.db2.gz YPSYYPPJHPYIGU-HNNXBMFYSA-N 0 0 279.742 3.933 10 0 CHAERN Cc1cccnc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000131184999 525539440 /nfs/dbraw/zinc/53/94/40/525539440.db2.gz XNVCDISLGCKWFI-UONOGXRCSA-N 0 0 258.365 3.545 10 0 CHAERN Cc1cccnc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000131184619 525540454 /nfs/dbraw/zinc/54/04/54/525540454.db2.gz XNVCDISLGCKWFI-ZIAGYGMSSA-N 0 0 258.365 3.545 10 0 CHAERN Cc1cc2c(n1[C@@H](C)c1ccsc1)CCC[C@@H]2O ZINC000061367046 525622437 /nfs/dbraw/zinc/62/24/37/525622437.db2.gz YDIMLRANZDOFPA-NHYWBVRUSA-N 0 0 261.390 3.837 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1C(N)=S)c1ccco1 ZINC000052904900 525667474 /nfs/dbraw/zinc/66/74/74/525667474.db2.gz GPIFSOIIFASKGS-QMMMGPOBSA-N 0 0 280.780 3.740 10 0 CHAERN Cc1cc2ncc([C@@H](C)N[C@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613609 525681153 /nfs/dbraw/zinc/68/11/53/525681153.db2.gz WIHVFBGDRBENQU-CHWSQXEVSA-N 0 0 298.390 3.659 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2OC(F)F)o1 ZINC000069723655 525717319 /nfs/dbraw/zinc/71/73/19/525717319.db2.gz GKCKTJNITQQLPK-SNVBAGLBSA-N 0 0 295.285 3.680 10 0 CHAERN Cc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)o1 ZINC000036960083 525743697 /nfs/dbraw/zinc/74/36/97/525743697.db2.gz GRPXSKLBZQJRRQ-TZMCWYRMSA-N 0 0 257.333 3.762 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2)o1 ZINC000127896184 525797559 /nfs/dbraw/zinc/79/75/59/525797559.db2.gz OSGNPAHLGXOSOG-INIZCTEOSA-N 0 0 299.370 3.721 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)c2ccccc2)o1 ZINC000194347994 525798473 /nfs/dbraw/zinc/79/84/73/525798473.db2.gz LIHTURMJHTZQGU-HNNXBMFYSA-N 0 0 297.354 3.525 10 0 CHAERN Cc1c(N)cccc1N1CCc2sccc2[C@H]1C ZINC000062725117 525819289 /nfs/dbraw/zinc/81/92/89/525819289.db2.gz JWVHDVMYOAKUHY-LLVKDONJSA-N 0 0 258.390 3.762 10 0 CHAERN Cc1c(N)cccc1Sc1ncnc2ccccc21 ZINC000062725605 525821289 /nfs/dbraw/zinc/82/12/89/525821289.db2.gz UTWISVNKGBSYEQ-UHFFFAOYSA-N 0 0 267.357 3.672 10 0 CHAERN C[C@@H](O)c1ccc(C(F)(F)F)cc1Br ZINC000062723751 525866402 /nfs/dbraw/zinc/86/64/02/525866402.db2.gz XPFDDYBJCCPXTL-RXMQYKEDSA-N 0 0 269.060 3.521 10 0 CHAERN Cc1ccc([C@@](C)(O)c2ccc(F)c(F)c2F)cc1 ZINC000061837812 525867482 /nfs/dbraw/zinc/86/74/82/525867482.db2.gz RPUPYIOXZGOSNJ-OAHLLOKOSA-N 0 0 266.262 3.668 10 0 CHAERN Cc1ccc([C@H](C)n2c(=S)[nH]nc2C2CC2)s1 ZINC000049184579 525951883 /nfs/dbraw/zinc/95/18/83/525951883.db2.gz SDURNUBIQKZDFM-QMMMGPOBSA-N 0 0 265.407 3.797 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)c2ccccc2)o1 ZINC000194348010 525991162 /nfs/dbraw/zinc/99/11/62/525991162.db2.gz LIHTURMJHTZQGU-OAHLLOKOSA-N 0 0 297.354 3.525 10 0 CHAERN Cc1cc(-c2ccc(OC(C)C)cc2)nc(=S)[nH]1 ZINC000062202974 526041590 /nfs/dbraw/zinc/04/15/90/526041590.db2.gz KEHZZJAHEGXAHD-UHFFFAOYSA-N 0 0 260.362 3.902 10 0 CHAERN Cc1ccc(C(=O)CCN2CCc3ccccc32)cc1 ZINC000049857865 526044218 /nfs/dbraw/zinc/04/42/18/526044218.db2.gz RXPXYPQYVBZJSO-UHFFFAOYSA-N 0 0 265.356 3.631 10 0 CHAERN CSc1cccc(NCCOCCC(C)C)c1 ZINC000049265374 526137958 /nfs/dbraw/zinc/13/79/58/526137958.db2.gz LJXPWUVGTLFIFX-UHFFFAOYSA-N 0 0 253.411 3.883 10 0 CHAERN C[C@@H](c1cccs1)N(C)Cc1nc(N)ccc1Cl ZINC000061638445 526145093 /nfs/dbraw/zinc/14/50/93/526145093.db2.gz YRQJMDYJCRTKJL-VIFPVBQESA-N 0 0 281.812 3.572 10 0 CHAERN CSc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117566117 526175376 /nfs/dbraw/zinc/17/53/76/526175376.db2.gz WJXOTAFRBTYYEI-MEDUHNTESA-N 0 0 299.395 3.912 10 0 CHAERN Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](CC(C)C)C(=O)[O-])[C@H](C)C2 ZINC000263057136 526210010 /nfs/dbraw/zinc/21/00/10/526210010.db2.gz LVNDQMVLJICINF-UKPHBRMFSA-N 0 0 289.419 3.565 10 0 CHAERN Cc1csc(CNC2=NC3(CS2)CCC(C)CC3)n1 ZINC000053100728 526357256 /nfs/dbraw/zinc/35/72/56/526357256.db2.gz SBMZBCRDSOUTJN-UHFFFAOYSA-N 0 0 295.477 3.593 10 0 CHAERN Oc1cccc(CN2CCCC[C@H]2c2nccs2)c1 ZINC000127713998 526358787 /nfs/dbraw/zinc/35/87/87/526358787.db2.gz BBKUAHZGHHHTIK-AWEZNQCLSA-N 0 0 274.389 3.576 10 0 CHAERN Oc1cccc(CN2CCCC[C@@H]2c2nccs2)c1 ZINC000127713770 526359677 /nfs/dbraw/zinc/35/96/77/526359677.db2.gz BBKUAHZGHHHTIK-CQSZACIVSA-N 0 0 274.389 3.576 10 0 CHAERN S=c1[nH]c2cccc(Cl)c2n1Cc1nccs1 ZINC000049534140 526387105 /nfs/dbraw/zinc/38/71/05/526387105.db2.gz ZWRQOKYZZSRVPM-UHFFFAOYSA-N 0 0 281.793 3.857 10 0 CHAERN c1ccn(-c2cccc(NCc3cncs3)c2)c1 ZINC000054771020 526521644 /nfs/dbraw/zinc/52/16/44/526521644.db2.gz YIHKVXUDMWGYRS-UHFFFAOYSA-N 0 0 255.346 3.546 10 0 CHAERN Cc1nc(-c2ccccc2Cl)sc1[C@@H](C)O ZINC000050438925 526606329 /nfs/dbraw/zinc/60/63/29/526606329.db2.gz AVPASLGLPKDQKT-MRVPVSSYSA-N 0 0 253.754 3.825 10 0 CHAERN CC(C)(C)[C@@H](O)CNc1nc(-c2ccccc2)cs1 ZINC000301594680 526645411 /nfs/dbraw/zinc/64/54/11/526645411.db2.gz FJNCFNHVWJROMM-ZDUSSCGKSA-N 0 0 276.405 3.629 10 0 CHAERN O=C(c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000062791759 526690739 /nfs/dbraw/zinc/69/07/39/526690739.db2.gz PWYBMIVCNKBQSK-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN O=C(c1ccc2ncccc2c1)c1ccccc1F ZINC000062801767 526738434 /nfs/dbraw/zinc/73/84/34/526738434.db2.gz AEWIQYCNMWELJV-UHFFFAOYSA-N 0 0 251.260 3.605 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2ccc(N)cc2C)s1 ZINC000049533723 526755974 /nfs/dbraw/zinc/75/59/74/526755974.db2.gz WZBVKFRCWQFGFB-JTQLQIEISA-N 0 0 261.394 3.824 10 0 CHAERN O=C(COc1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000054933330 526945719 /nfs/dbraw/zinc/94/57/19/526945719.db2.gz LLHNZBGOXHQSEU-UHFFFAOYSA-N 0 0 282.673 3.880 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)CSC(C)(C)C)cs1 ZINC000187014454 527046877 /nfs/dbraw/zinc/04/68/77/527046877.db2.gz ZJVSSNULQCAGQR-LBPRGKRZSA-N 0 0 298.477 3.647 10 0 CHAERN Cc1nc([C@H](C)N[C@@H](C)c2cccs2)cs1 ZINC000036915424 527066052 /nfs/dbraw/zinc/06/60/52/527066052.db2.gz NCQJOVRPIIUBNA-IUCAKERBSA-N 0 0 252.408 3.925 10 0 CHAERN NC(=S)CCCCOc1cccc(C(F)(F)F)c1 ZINC000049583102 527107762 /nfs/dbraw/zinc/10/77/62/527107762.db2.gz YESFYLNCDZWILZ-UHFFFAOYSA-N 0 0 277.311 3.541 10 0 CHAERN NC(=S)c1ccc(NCCc2ccccc2)c(Cl)c1 ZINC000062795138 527119708 /nfs/dbraw/zinc/11/97/08/527119708.db2.gz FAGYPEGYEZEHNV-UHFFFAOYSA-N 0 0 290.819 3.629 10 0 CHAERN NC(=S)c1ccc(N2CCc3ccccc32)c(Cl)c1 ZINC000062795158 527119770 /nfs/dbraw/zinc/11/97/70/527119770.db2.gz OKBOSWHRLGBLOE-UHFFFAOYSA-N 0 0 288.803 3.668 10 0 CHAERN O=C(Nc1cc(F)cc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000116480539 527121396 /nfs/dbraw/zinc/12/13/96/527121396.db2.gz IPOWCBSQFWVMRS-ZDUSSCGKSA-N 0 0 292.285 3.927 10 0 CHAERN O=C(Cc1ccncc1)c1ccccc1C(F)(F)F ZINC000055233512 527310687 /nfs/dbraw/zinc/31/06/87/527310687.db2.gz QYLMLTRIFBNQEL-UHFFFAOYSA-N 0 0 265.234 3.526 10 0 CHAERN Nc1cc(-c2ccc(Cl)s2)nn1-c1ccccc1 ZINC000051172245 527438795 /nfs/dbraw/zinc/43/87/95/527438795.db2.gz SNHXCYDXTFPGLI-UHFFFAOYSA-N 0 0 275.764 3.836 10 0 CHAERN Nc1cc(F)ccc1OCc1ccc(Cl)s1 ZINC000052064790 527456617 /nfs/dbraw/zinc/45/66/17/527456617.db2.gz OSKUEMVSPQWJSN-UHFFFAOYSA-N 0 0 257.717 3.702 10 0 CHAERN Nc1ccc(Cl)cc1OCc1cc(F)ccc1F ZINC000051609447 527487288 /nfs/dbraw/zinc/48/72/88/527487288.db2.gz VVCNZWSWRWZZEN-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Nc1ccc2c(c1)ncn2-c1ccc(C(F)(F)F)cc1 ZINC000052842937 527508926 /nfs/dbraw/zinc/50/89/26/527508926.db2.gz QTFPHTHWPJPKNQ-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN Nc1cccc([C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000051327460 527521190 /nfs/dbraw/zinc/52/11/90/527521190.db2.gz ONXPARPKHWKMQX-CYBMUJFWSA-N 0 0 298.169 3.688 10 0 CHAERN Nc1cnccc1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000062726031 527537009 /nfs/dbraw/zinc/53/70/09/527537009.db2.gz JBAXTCGVSVFGSK-UHFFFAOYSA-N 0 0 297.145 3.615 10 0 CHAERN Cn1nc([C@@H]2C[C@H]3CC[C@@H]2C3)c(-c2cccs2)c1N ZINC000052901644 527557576 /nfs/dbraw/zinc/55/75/76/527557576.db2.gz YMQBTPUMKQCSJA-HBNTYKKESA-N 0 0 273.405 3.634 10 0 CHAERN O=C(NCCC1=CCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000131099672 527621619 /nfs/dbraw/zinc/62/16/19/527621619.db2.gz HSHWWZCNAQEFCV-UONOGXRCSA-N 0 0 291.341 3.685 10 0 CHAERN O=C(NCCC1=CCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000131099454 527621803 /nfs/dbraw/zinc/62/18/03/527621803.db2.gz HSHWWZCNAQEFCV-KGLIPLIRSA-N 0 0 291.341 3.685 10 0 CHAERN O[C@@H](Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000055233557 527664689 /nfs/dbraw/zinc/66/46/89/527664689.db2.gz DVXOHUWHJPRANW-AWEZNQCLSA-N 0 0 266.262 3.982 10 0 CHAERN O[C@@H](Cc1ccccn1)c1cc(Cl)ccc1Cl ZINC000055201853 527665325 /nfs/dbraw/zinc/66/53/25/527665325.db2.gz XKRXKCSODUYTOL-ZDUSSCGKSA-N 0 0 268.143 3.665 10 0 CHAERN O[C@@H](c1cc(F)cc(F)c1)C1(c2ccccc2)CC1 ZINC000062780632 527666076 /nfs/dbraw/zinc/66/60/76/527666076.db2.gz JWPSHLXAGYKGMD-HNNXBMFYSA-N 0 0 260.283 3.730 10 0 CHAERN O[C@@H](c1ccc2ccccc2n1)c1ccccc1Cl ZINC000063075621 527666548 /nfs/dbraw/zinc/66/65/48/527666548.db2.gz VWODTBPIDOMTML-MRXNPFEDSA-N 0 0 269.731 3.970 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(Br)c1 ZINC000087406668 527700477 /nfs/dbraw/zinc/70/04/77/527700477.db2.gz RXTZLNFICIWXRM-VIFPVBQESA-N 0 0 294.196 3.664 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc2c1CCCC2 ZINC000087406465 527700618 /nfs/dbraw/zinc/70/06/18/527700618.db2.gz HEKDYZCTFYJDGM-LBPRGKRZSA-N 0 0 269.392 3.780 10 0 CHAERN CCC[C@H](C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113204554 527994841 /nfs/dbraw/zinc/99/48/41/527994841.db2.gz AFZRYWFOWKKPLA-STQMWFEESA-N 0 0 294.464 3.848 10 0 CHAERN CCN(CC1CC1)c1nccc(Oc2ccc(F)cc2)n1 ZINC000301242619 528337427 /nfs/dbraw/zinc/33/74/27/528337427.db2.gz OWJHAQZVBLXMMI-UHFFFAOYSA-N 0 0 287.338 3.644 10 0 CHAERN CC(C)C[C@H](C)n1nccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000330073885 528489470 /nfs/dbraw/zinc/48/94/70/528489470.db2.gz KTWSBOJIQUZMDR-IHRRRGAJSA-N 0 0 290.411 3.506 10 0 CHAERN CC[C@H](C)[C@](C)(O)CNc1ccnc2c(F)cc(F)cc12 ZINC000302373789 529271084 /nfs/dbraw/zinc/27/10/84/529271084.db2.gz ALWXVHADBMMQLM-MGPLVRAMSA-N 0 0 294.345 3.722 10 0 CHAERN CC(C)(C)Cc1nc2cccc(Cl)c2cc1NN ZINC000725268302 567924056 /nfs/dbraw/zinc/92/40/56/567924056.db2.gz LSTJJQUYXUNWEG-UHFFFAOYSA-N 0 0 263.772 3.762 10 0 CHAERN Cc1cc(N2CC(C)(C)OC(C)(C)C2)c(C)cc1C=O ZINC000675076170 570368472 /nfs/dbraw/zinc/36/84/72/570368472.db2.gz ZWANWTLBOAUEQT-UHFFFAOYSA-N 0 0 275.392 3.510 10 0 CHAERN Cc1cnc2c(N)c(Br)c(F)cc2c1Cl ZINC000521401154 570373893 /nfs/dbraw/zinc/37/38/93/570373893.db2.gz USNDGEANQDYMIS-UHFFFAOYSA-N 0 0 289.535 3.680 10 0 CHAERN CC(C)(C)OC(=O)N1C=C(Br)CCCC1 ZINC000667350879 566933916 /nfs/dbraw/zinc/93/39/16/566933916.db2.gz WXBGEQNCPITVRE-UHFFFAOYSA-N 0 0 276.174 3.644 10 0 CHAERN O=C1C[C@H](C(F)(F)F)Sc2cc(Cl)ccc21 ZINC000675060032 567022864 /nfs/dbraw/zinc/02/28/64/567022864.db2.gz QOTXKVSVYRXCRA-SECBINFHSA-N 0 0 266.671 3.949 10 0 CHAERN CCC(C)(C)C1CCC([C@@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059835 567023000 /nfs/dbraw/zinc/02/30/00/567023000.db2.gz NUHPUIYNRHZKRE-JYVUQVBGSA-N 0 0 281.440 3.682 10 0 CHAERN CCNc1cc(Br)cc(C(F)(F)F)c1 ZINC000083851939 567028614 /nfs/dbraw/zinc/02/86/14/567028614.db2.gz SWBAMXHTANDWNX-UHFFFAOYSA-N 0 0 268.076 3.900 10 0 CHAERN CN1C(=O)c2ccccc2[C@@]12CCCCc1ccccc12 ZINC000048523045 567090058 /nfs/dbraw/zinc/09/00/58/567090058.db2.gz NDTLJWLGJXSBRC-IBGZPJMESA-N 0 0 277.367 3.742 10 0 CHAERN Cc1c(C)n(-c2ccccc2)c2ncnc(Cl)c12 ZINC000013367396 567118540 /nfs/dbraw/zinc/11/85/40/567118540.db2.gz QCWSMHAWPXZGEZ-UHFFFAOYSA-N 0 0 257.724 3.691 10 0 CHAERN Ic1cccc2ccsc21 ZINC000015042080 567134640 /nfs/dbraw/zinc/13/46/40/567134640.db2.gz RBVMCNDUYBMNKQ-UHFFFAOYSA-N 0 0 260.099 3.506 10 0 CHAERN O[C@H](CCSCc1ccco1)c1cccs1 ZINC000058826650 567217963 /nfs/dbraw/zinc/21/79/63/567217963.db2.gz OLWDQHGYKGVVEX-LLVKDONJSA-N 0 0 254.376 3.698 10 0 CHAERN C[C@@H]1CCCN(c2ccc(-c3csc(N)n3)cc2F)C1 ZINC000058823206 567217668 /nfs/dbraw/zinc/21/76/68/567217668.db2.gz LDSMGSZHJGZJFX-SNVBAGLBSA-N 0 0 291.395 3.768 10 0 CHAERN Clc1cc(Cc2ccsc2)nc(C2CC2)n1 ZINC000409429127 567899746 /nfs/dbraw/zinc/89/97/46/567899746.db2.gz IDVHICFPRWLGRH-UHFFFAOYSA-N 0 0 250.754 3.660 10 0 CHAERN Cc1c(Br)c(-c2ccccn2)nn1C(C)C ZINC000409444104 567899889 /nfs/dbraw/zinc/89/98/89/567899889.db2.gz ZZAZERUACWKHFW-UHFFFAOYSA-N 0 0 280.169 3.597 10 0 CHAERN CSc1cc(Br)cc(Br)c1 ZINC000090413239 567907955 /nfs/dbraw/zinc/90/79/55/567907955.db2.gz OFAQYBZJADFVPV-UHFFFAOYSA-N 0 0 282.000 3.934 10 0 CHAERN CCCc1cc2nc(C3CC(F)(F)C3)nn2c(Cl)c1 ZINC000725246162 567908200 /nfs/dbraw/zinc/90/82/00/567908200.db2.gz LNDZHCZCTODIPS-UHFFFAOYSA-N 0 0 285.725 3.848 10 0 CHAERN Cc1cccc2c1NC[C@@H](C)[C@H]2CC(=O)OC(C)(C)C ZINC000725253706 567911175 /nfs/dbraw/zinc/91/11/75/567911175.db2.gz FWQFCTTXQBGXJE-TZMCWYRMSA-N 0 0 275.392 3.872 10 0 CHAERN Oc1ccc(OCCCC(F)(F)C(F)(F)F)cc1 ZINC000098210645 567911699 /nfs/dbraw/zinc/91/16/99/567911699.db2.gz HEXMIUKJOMVBAJ-UHFFFAOYSA-N 0 0 270.197 3.749 10 0 CHAERN C[C@H]1C[C@@H](CC(=O)OC(C)(C)C)c2cc(F)ccc2N1 ZINC000725253972 567912379 /nfs/dbraw/zinc/91/23/79/567912379.db2.gz VWQSZMRWTFKGDB-QWRGUYRKSA-N 0 0 279.355 3.845 10 0 CHAERN C[C@H]1CCCN(c2cc(N)ccc2C(F)(F)F)[C@H]1C ZINC000725263643 567923056 /nfs/dbraw/zinc/92/30/56/567923056.db2.gz YFEOCEOYEHITLI-UWVGGRQHSA-N 0 0 272.314 3.912 10 0 CHAERN CC(C)(C)CC1N=NC(=S)N1C1CCCCC1 ZINC000725265547 567923527 /nfs/dbraw/zinc/92/35/27/567923527.db2.gz SMTMYUSCODELRE-UHFFFAOYSA-N 0 0 253.415 3.661 10 0 CHAERN CCC(C)(C)c1nc2cc(Cl)ccc2cc1NN ZINC000725268052 567924210 /nfs/dbraw/zinc/92/42/10/567924210.db2.gz GZHHNAGSJLYAPG-UHFFFAOYSA-N 0 0 263.772 3.861 10 0 CHAERN Cc1ccc(NCn2c3ccc(Cl)cc3oc2=O)cc1 ZINC000000174951 567924429 /nfs/dbraw/zinc/92/44/29/567924429.db2.gz WSOJNZSGJLFWNB-UHFFFAOYSA-N 0 0 288.734 3.626 10 0 CHAERN C[C@H]1CCn2cc(-c3ccccc3Br)nc2C1 ZINC000258432727 567931099 /nfs/dbraw/zinc/93/10/99/567931099.db2.gz OUCCDLWNFYOXMI-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN Brc1cc(CCC2CCCCC2)ncn1 ZINC000409427959 567948434 /nfs/dbraw/zinc/94/84/34/567948434.db2.gz DGGARSGILOINLH-UHFFFAOYSA-N 0 0 269.186 3.752 10 0 CHAERN COc1ccc(/C=C/c2ccc3ccccc3[n+]2[O-])cc1 ZINC000004534981 570223973 /nfs/dbraw/zinc/22/39/73/570223973.db2.gz PRYRPXHPCFQOIU-UXBLZVDNSA-N 0 0 277.323 3.652 10 0 CHAERN CCOC(=O)c1c(C)c2cccc(OC)c2nc1C1CC1 ZINC000584883231 570229411 /nfs/dbraw/zinc/22/94/11/570229411.db2.gz MMONCYWJCIVTPK-UHFFFAOYSA-N 0 0 285.343 3.606 10 0 CHAERN CCC(CC)c1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243101 570255094 /nfs/dbraw/zinc/25/50/94/570255094.db2.gz KQTAJOGEBGPNHT-UHFFFAOYSA-N 0 0 259.353 3.606 10 0 CHAERN COc1ccc(Cl)cc1-c1cc(Cl)nc(C)n1 ZINC000088674534 570274035 /nfs/dbraw/zinc/27/40/35/570274035.db2.gz VUJLQXPBGRCWDV-UHFFFAOYSA-N 0 0 269.131 3.767 10 0 CHAERN CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215734949 570303646 /nfs/dbraw/zinc/30/36/46/570303646.db2.gz VBPUHQSYDZQJKL-MISXGVKJSA-N 0 0 276.767 3.768 10 0 CHAERN CCCc1cc(Br)sc1C(=O)OCC ZINC000675058274 570365381 /nfs/dbraw/zinc/36/53/81/570365381.db2.gz YNMVMPZGBDEJSF-UHFFFAOYSA-N 0 0 277.183 3.640 10 0 CHAERN COC(=O)[C@@H](C)c1cc(Cl)nc2c(C)ccc(C)c12 ZINC000675067358 570366137 /nfs/dbraw/zinc/36/61/37/570366137.db2.gz AVVWFKNOQBOBNO-JTQLQIEISA-N 0 0 277.751 3.782 10 0 CHAERN Cc1cc(-c2cnc(Cl)s2)c(C)cc1C=O ZINC000675072750 570366919 /nfs/dbraw/zinc/36/69/19/570366919.db2.gz LGXQMBWCZFKQMW-UHFFFAOYSA-N 0 0 251.738 3.893 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406028100 570411718 /nfs/dbraw/zinc/41/17/18/570411718.db2.gz SGWOOIREPZIBLS-BFHYXJOUSA-N 0 0 291.391 3.553 10 0 CHAERN C[C@H](C[N@H+](CC(=O)[O-])CC(C)(C)C)C1CCCCC1 ZINC000692653633 954704035 /nfs/dbraw/zinc/70/40/35/954704035.db2.gz OAKDFYLSGGXUTF-CYBMUJFWSA-N 0 0 269.429 3.636 10 0 CHAERN C[C@@H]1c2sccc2CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000712341009 955063795 /nfs/dbraw/zinc/06/37/95/955063795.db2.gz LSHFBGOJZFNJCF-LLVKDONJSA-N 0 0 287.384 3.566 10 0 CHAERN Cc1ccc(C[NH+]2C3CCCC2CCC3)cc1C(=O)[O-] ZINC000701829494 977046687 /nfs/dbraw/zinc/04/66/87/977046687.db2.gz IPXZVVHLMIEYLY-UHFFFAOYSA-N 0 0 273.376 3.600 10 0 CHAERN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708555545 977435540 /nfs/dbraw/zinc/43/55/40/977435540.db2.gz MPDXZGARZYLTOF-VXGBXAGGSA-N 0 0 279.380 3.797 10 0 CHAERN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708820940 977444956 /nfs/dbraw/zinc/44/49/56/977444956.db2.gz FFOGOJRACZYHDD-AAEUAGOBSA-N 0 0 277.364 3.551 10 0 CHAERN O=C([O-])c1sccc1C[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000712682049 977588147 /nfs/dbraw/zinc/58/81/47/977588147.db2.gz ZTAQGWCCDPVRGA-CQSZACIVSA-N 0 0 293.432 3.895 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccc3c[nH]nc3c2)cs1 ZINC000189940842 1126937033 /nfs/dbraw/zinc/93/70/33/1126937033.db2.gz SCHNQODIKSPPEM-INIZCTEOSA-N 0 0 298.415 3.665 10 0 CHAERN O=C(c1ccc(Cl)cc1O)N1CCC12CCCCC2 ZINC000373069406 1127821353 /nfs/dbraw/zinc/82/13/53/1127821353.db2.gz JPUQEOIKIIKXDW-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN Cc1cccc(NC(=O)COc2cccc(C)c2C)c1 ZINC000003156649 1128128367 /nfs/dbraw/zinc/12/83/67/1128128367.db2.gz XZRBKQOKZDMPCB-UHFFFAOYSA-N 0 0 269.344 3.629 10 0 CHAERN Clc1cc(-c2ccc(Br)s2)ncn1 ZINC000409427932 1118544463 /nfs/dbraw/zinc/54/44/63/1118544463.db2.gz DARAYPFXQWJZFU-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN CC[C@H](C)[C@H](C)N(C(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588452769 1118797845 /nfs/dbraw/zinc/79/78/45/1118797845.db2.gz KFYNENVTBCAPQB-KGJDTDPESA-N 0 0 286.419 3.829 10 0 CHAERN CC[C@@H]1CCCCCN1C(=O)/C=C\c1ncccc1C ZINC000588453076 1118799318 /nfs/dbraw/zinc/79/93/18/1118799318.db2.gz ZQUMWAWQZWVEMW-JQPIKURYSA-N 0 0 272.392 3.584 10 0 CHAERN Cc1ccsc1COC(=O)/C=C\c1ncccc1C ZINC000588453931 1118799834 /nfs/dbraw/zinc/79/98/34/1118799834.db2.gz FVIROJMPCYFKLG-WAYWQWQTSA-N 0 0 273.357 3.517 10 0 CHAERN CCCOc1ccc(NC(=O)/C=C\c2ncccc2C)cc1 ZINC000588453844 1118800290 /nfs/dbraw/zinc/80/02/90/1118800290.db2.gz MPDTVEDMFYZCJW-KHPPLWFESA-N 0 0 296.370 3.831 10 0 CHAERN CC[C@H](C)c1ccc(OC(=O)/C=C\c2ccncn2)cc1 ZINC000588539257 1119153247 /nfs/dbraw/zinc/15/32/47/1119153247.db2.gz UGOAECBEWXEJGU-XURPKSDJSA-N 0 0 282.343 3.609 10 0 CHAERN C/C=C(/CC)C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000588567477 1119312533 /nfs/dbraw/zinc/31/25/33/1119312533.db2.gz KYBIVTNEPYCRMA-DXNYSGJVSA-N 0 0 291.366 3.552 10 0 CHAERN C/C=C(/CC)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000588572862 1119330820 /nfs/dbraw/zinc/33/08/20/1119330820.db2.gz DEPLOBLIVBIMQJ-MGEAWDSWSA-N 0 0 297.402 3.714 10 0 CHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(C2CC2)cc1 ZINC000588583930 1119420704 /nfs/dbraw/zinc/42/07/04/1119420704.db2.gz JTEZFMLJGYUNER-KHPPLWFESA-N 0 0 292.382 3.597 10 0 CHAERN COCc1ccc(NC/C=C\c2ccccc2OC)cc1 ZINC000588596621 1119508275 /nfs/dbraw/zinc/50/82/75/1119508275.db2.gz HYNGEHNLPFXAFI-ALCCZGGFSA-N 0 0 283.371 3.967 10 0 CHAERN CC[C@H](SCC(=O)NC(C)(C)C)c1ccccc1 ZINC000105636044 1120084306 /nfs/dbraw/zinc/08/43/06/1120084306.db2.gz KIZVEVFOXLUEQK-ZDUSSCGKSA-N 0 0 265.422 3.786 10 0 CHAERN O=C(CSCc1ccccc1F)NC1CCCCC1 ZINC000000260379 1121114108 /nfs/dbraw/zinc/11/41/08/1121114108.db2.gz IOIKMWCJJBNASZ-UHFFFAOYSA-N 0 0 281.396 3.508 10 0 CHAERN CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1C ZINC000408351673 1121137756 /nfs/dbraw/zinc/13/77/56/1121137756.db2.gz HJICGXWVFQOBAT-LNSITVRQSA-N 0 0 290.411 3.569 10 0 CHAERN C[C@@]12CCCC[C@@H]1N(C(=O)C1CCOCC1)c1ccccc12 ZINC000334411340 1123007752 /nfs/dbraw/zinc/00/77/52/1123007752.db2.gz KFHBNLPICYHMIW-HKUYNNGSSA-N 0 0 299.414 3.660 10 0 CHAERN CC[C@@H](CC(=O)OCCc1cccnc1)c1ccccc1 ZINC000105558512 1123056262 /nfs/dbraw/zinc/05/62/62/1123056262.db2.gz WQYCDUVHUBUFNR-INIZCTEOSA-N 0 0 283.371 3.751 10 0 CHAERN Cc1nccnc1[C@H](C)Nc1cccc(-c2cnco2)c1 ZINC000188399330 1123087346 /nfs/dbraw/zinc/08/73/46/1123087346.db2.gz PEUNNYSEFFXSHC-LBPRGKRZSA-N 0 0 280.331 3.613 10 0 CHAERN Cc1ccsc1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103129736 1123783742 /nfs/dbraw/zinc/78/37/42/1123783742.db2.gz OIGTYIDTANPOHU-UHFFFAOYSA-N 0 0 298.411 3.819 10 0 CHAERN CCOc1ccccc1CCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103369192 1123785686 /nfs/dbraw/zinc/78/56/86/1123785686.db2.gz LGCWBVJRYUOCMI-GJZGRUSLSA-N 0 0 289.419 3.807 10 0 CHAERN CN1Cc2cc(N[C@@H]3CCCc4occc43)ccc2NC1=O ZINC000193304336 1125337629 /nfs/dbraw/zinc/33/76/29/1125337629.db2.gz GGETUCQGRRDLEN-OAHLLOKOSA-N 0 0 297.358 3.746 10 0 CHAERN CC[C@@H](CC(=O)NCc1cccc(C)n1)c1ccccc1 ZINC000103431373 1125364188 /nfs/dbraw/zinc/36/41/88/1125364188.db2.gz XUFTTYCEKDEYCY-HNNXBMFYSA-N 0 0 282.387 3.590 10 0 CHAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccnc1Cl ZINC000103056898 1129695031 /nfs/dbraw/zinc/69/50/31/1129695031.db2.gz CJCKWFCUEACYKA-AAEUAGOBSA-N 0 0 280.799 3.680 10 0 CHAERN CC(C)[C@@H](CCc1ccccc1)OC(=O)c1cscn1 ZINC000103337369 1129745715 /nfs/dbraw/zinc/74/57/15/1129745715.db2.gz HSFVLWRKBGEZGX-OAHLLOKOSA-N 0 0 289.400 3.957 10 0 CHAERN COCCCCOC(=O)c1cc2cc(Cl)ccc2o1 ZINC000103335547 1129745865 /nfs/dbraw/zinc/74/58/65/1129745865.db2.gz YQGXEZWXXIGYQV-UHFFFAOYSA-N 0 0 282.723 3.670 10 0 CHAERN O=C1CC2(CCCC2)CN1Cc1ccccc1C(F)(F)F ZINC000095522656 185003771 /nfs/dbraw/zinc/00/37/71/185003771.db2.gz HARPMTZGAKRYEG-UHFFFAOYSA-N 0 0 297.320 3.998 10 0 CHAERN CC(C)(C)Oc1cnc(Br)c(OC2CC2)c1 ZINC000095724879 185020429 /nfs/dbraw/zinc/02/04/29/185020429.db2.gz XXZVTTHDTPJGKG-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)(C)Oc1ncc(Br)cc1OC1CC1 ZINC000095723911 185020497 /nfs/dbraw/zinc/02/04/97/185020497.db2.gz BHPAYADHIJWIOV-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)Oc1ccc(Br)c(OC2CC2)c1 ZINC000095726112 185021193 /nfs/dbraw/zinc/02/11/93/185021193.db2.gz ZCOGOHIHWODJKM-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN COc1ccc(CNc2cc(Cl)nc(C(C)C)n2)cc1 ZINC000082509617 178075850 /nfs/dbraw/zinc/07/58/50/178075850.db2.gz NUZWMYJVQXILPL-UHFFFAOYSA-N 0 0 291.782 3.874 10 0 CHAERN CC(C)(C)OC(=O)Nc1sc(C(F)(F)F)cc1C=O ZINC000095762215 185026731 /nfs/dbraw/zinc/02/67/31/185026731.db2.gz LSOAPPOSXAKVCG-UHFFFAOYSA-N 0 0 295.282 3.926 10 0 CHAERN Cc1cc(Nc2ccc(OC(C)C)cc2)ncc1N ZINC000082567404 178098068 /nfs/dbraw/zinc/09/80/68/178098068.db2.gz PESZEJVOYUOIMZ-UHFFFAOYSA-N 0 0 257.337 3.503 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1ccc(O)cc1 ZINC000095775220 185028199 /nfs/dbraw/zinc/02/81/99/185028199.db2.gz BKLSGMQEBUWQNR-ZIAGYGMSSA-N 0 0 277.364 3.553 10 0 CHAERN Brc1cccc2c(-c3ccccn3)noc21 ZINC000095803790 185029160 /nfs/dbraw/zinc/02/91/60/185029160.db2.gz ISTVZBXZHIPSHU-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1N ZINC000095917839 185030700 /nfs/dbraw/zinc/03/07/00/185030700.db2.gz YLIQJMVMNGQZQU-UHFFFAOYSA-N 0 0 276.258 3.635 10 0 CHAERN Cc1nc(-c2cc(Br)cs2)c(N)s1 ZINC000082586121 178121527 /nfs/dbraw/zinc/12/15/27/178121527.db2.gz AZKIMYGNKYMEHK-UHFFFAOYSA-N 0 0 275.196 3.525 10 0 CHAERN CC(C)c1sc(Br)nc1Br ZINC000095930348 185032418 /nfs/dbraw/zinc/03/24/18/185032418.db2.gz ZGFNEEVCVVQGAD-UHFFFAOYSA-N 0 0 285.004 3.792 10 0 CHAERN CCCCc1ccc(C(=O)Cc2ccncc2)cc1 ZINC000095934579 185033393 /nfs/dbraw/zinc/03/33/93/185033393.db2.gz YRNCVNSVQKFTER-UHFFFAOYSA-N 0 0 253.345 3.850 10 0 CHAERN CCN(CC)C(=O)/C=C\c1ccc(C)c(Cl)c1 ZINC000095938486 185034898 /nfs/dbraw/zinc/03/48/98/185034898.db2.gz UTQYZBKRBWMBBA-HJWRWDBZSA-N 0 0 251.757 3.530 10 0 CHAERN O=C(/C=C\c1cccc(Br)c1)NC1CCCC1 ZINC000095938861 185035379 /nfs/dbraw/zinc/03/53/79/185035379.db2.gz YFZCCSAJORQLPL-HJWRWDBZSA-N 0 0 294.192 3.521 10 0 CHAERN Cc1cc(N)ncc1-c1ccc(Cl)c(Cl)c1 ZINC000082730127 178247216 /nfs/dbraw/zinc/24/72/16/178247216.db2.gz MKTZYNUKILYKDR-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN Cc1cc(C)c2nc(Br)cc(C)c2c1 ZINC000082788550 178293733 /nfs/dbraw/zinc/29/37/33/178293733.db2.gz WVKKRFLAPUXDLX-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN COc1ccc2nc(NCCC(C)C)sc2c1 ZINC000083383718 178386628 /nfs/dbraw/zinc/38/66/28/178386628.db2.gz PMPBVLQPELABEI-UHFFFAOYSA-N 0 0 250.367 3.763 10 0 CHAERN OCc1ncc(-c2ccc(Cl)cc2Cl)s1 ZINC000083250363 178368307 /nfs/dbraw/zinc/36/83/07/178368307.db2.gz VZRLRJJKSMJUKM-UHFFFAOYSA-N 0 0 260.145 3.609 10 0 CHAERN Cc1ccc(Br)cc1C(=O)C(F)(F)F ZINC000083256526 178372197 /nfs/dbraw/zinc/37/21/97/178372197.db2.gz WJAUJCIDJPNGRK-UHFFFAOYSA-N 0 0 267.044 3.503 10 0 CHAERN Brc1cccc2[nH]c(-c3ccccc3)nc21 ZINC000096944122 185134036 /nfs/dbraw/zinc/13/40/36/185134036.db2.gz FIRNYZVCPTVUQH-UHFFFAOYSA-N 0 0 273.133 3.992 10 0 CHAERN O=Cc1cc(-c2ccc(Br)cc2)cs1 ZINC000096947574 185137014 /nfs/dbraw/zinc/13/70/14/185137014.db2.gz UQSMWPVEIFFLHN-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN C[C@H]1CNc2ccccc2N1CCc1cccs1 ZINC000076970151 136505110 /nfs/dbraw/zinc/50/51/10/136505110.db2.gz JQLBWYKMQOBCJB-LBPRGKRZSA-N 0 0 258.390 3.611 10 0 CHAERN CCc1c(Cl)ncnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000104226248 136525984 /nfs/dbraw/zinc/52/59/84/136525984.db2.gz CVSYLLLWOQAIPV-VXGBXAGGSA-N 0 0 279.815 3.709 10 0 CHAERN COc1cccc([C@@H]2N=NC(=S)N2c2ccccc2)c1 ZINC000100383094 185714196 /nfs/dbraw/zinc/71/41/96/185714196.db2.gz CPWXNSCGMONYOX-CQSZACIVSA-N 0 0 283.356 3.951 10 0 CHAERN CCc1ccc(-c2nc(C(C)C)n(CC)c2N)cc1 ZINC000103501707 185845619 /nfs/dbraw/zinc/84/56/19/185845619.db2.gz OYNOBBZYNJLFKD-UHFFFAOYSA-N 0 0 257.381 3.838 10 0 CHAERN C[C@@H](O)c1ccccc1N1CCC[C@H]1C1CCCC1 ZINC000103929157 185863018 /nfs/dbraw/zinc/86/30/18/185863018.db2.gz ZODCBZXGGUADEE-CJNGLKHVSA-N 0 0 259.393 3.899 10 0 CHAERN CCCc1nnc(Cl)n1C[C@@H]1CCCC[C@@H]1C ZINC000103928118 185863125 /nfs/dbraw/zinc/86/31/25/185863125.db2.gz CYIYWNAQOLDQTN-QWRGUYRKSA-N 0 0 255.793 3.710 10 0 CHAERN C[C@H](c1ccccc1F)n1c(Cl)nnc1C1CC1 ZINC000103928165 185863373 /nfs/dbraw/zinc/86/33/73/185863373.db2.gz BDWVXWWYBUZAKE-MRVPVSSYSA-N 0 0 265.719 3.557 10 0 CHAERN CCOC(=O)c1sc(-c2cc(C)ccc2F)cc1N ZINC000103937171 185864673 /nfs/dbraw/zinc/86/46/73/185864673.db2.gz YBIBFVBHFGNYDF-UHFFFAOYSA-N 0 0 279.336 3.622 10 0 CHAERN CCOc1cc(Nc2cccc(C)c2)c(N)cc1F ZINC000104126540 185899305 /nfs/dbraw/zinc/89/93/05/185899305.db2.gz GUOUUDYNDNRBSS-UHFFFAOYSA-N 0 0 260.312 3.859 10 0 CHAERN Cc1ccccc1C(=O)c1ccc(Br)o1 ZINC000087284516 179407704 /nfs/dbraw/zinc/40/77/04/179407704.db2.gz MSCIBWYBLPKAID-UHFFFAOYSA-N 0 0 265.106 3.582 10 0 CHAERN CCc1c(Cl)ncnc1NCC1CCC(C)CC1 ZINC000104210744 185932042 /nfs/dbraw/zinc/93/20/42/185932042.db2.gz LDYOQUCTWIRGCP-UHFFFAOYSA-N 0 0 267.804 3.931 10 0 CHAERN CC(C)c1c(Cl)ncnc1SC1CCOCC1 ZINC000104215642 185933346 /nfs/dbraw/zinc/93/33/46/185933346.db2.gz PFJUJHYWILKGAR-UHFFFAOYSA-N 0 0 272.801 3.525 10 0 CHAERN CCCc1c(Cl)ncnc1NCc1cccs1 ZINC000104221327 185935674 /nfs/dbraw/zinc/93/56/74/185935674.db2.gz CQZBPWWCRJYLQE-UHFFFAOYSA-N 0 0 267.785 3.756 10 0 CHAERN CCCNC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000104278549 185953655 /nfs/dbraw/zinc/95/36/55/185953655.db2.gz GIBFXYNFJRXIOF-JTQLQIEISA-N 0 0 294.464 3.621 10 0 CHAERN NC(=O)c1cccc2ccc(-c3ccccc3Cl)nc21 ZINC000090494871 179993304 /nfs/dbraw/zinc/99/33/04/179993304.db2.gz YQKNYFYQVYFQKC-UHFFFAOYSA-N 0 0 282.730 3.654 10 0 CHAERN COc1ccc([C@@H](O)C[C@@H](C)C(C)(C)C)cc1F ZINC000104434181 186000476 /nfs/dbraw/zinc/00/04/76/186000476.db2.gz YDAXDXMRTSGKEE-MFKMUULPSA-N 0 0 254.345 3.940 10 0 CHAERN CC(C)(C)c1nnc(Cl)n1CC1(C)CCCC1 ZINC000104447474 186006107 /nfs/dbraw/zinc/00/61/07/186006107.db2.gz ZEKALKJHEVYUCV-UHFFFAOYSA-N 0 0 255.793 3.809 10 0 CHAERN Cc1cc(C)cc(NC=C2C(=O)Nc3ccccc32)c1 ZINC000104489578 186007660 /nfs/dbraw/zinc/00/76/60/186007660.db2.gz VWOQCUHZVSEPLW-XNTDXEJSSA-N 0 0 264.328 3.709 10 0 CHAERN O=C1[C@H](C2=CCCCC2)CCN1Cc1ccccc1 ZINC000091302111 180129265 /nfs/dbraw/zinc/12/92/65/180129265.db2.gz NSNNOOKXGDPCTB-INIZCTEOSA-N 0 0 255.361 3.536 10 0 CHAERN O=C(Nc1cccc(Cl)c1)[C@H]1C[C@@H]1c1ccco1 ZINC000121073772 186948730 /nfs/dbraw/zinc/94/87/30/186948730.db2.gz AZHRKWCUHOFNGS-RYUDHWBXSA-N 0 0 261.708 3.675 10 0 CHAERN CC[C@H](Nc1cn(C)nc1C(C)C)c1ccc(F)cn1 ZINC000336829391 334973736 /nfs/dbraw/zinc/97/37/36/334973736.db2.gz HKDUIKGPFNEUQZ-LBPRGKRZSA-N 0 0 276.359 3.641 10 0 CHAERN CCOC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000168576755 188651471 /nfs/dbraw/zinc/65/14/71/188651471.db2.gz ROXCSOALCFJCON-UHFFFAOYSA-N 0 0 279.339 3.941 10 0 CHAERN CCCCNC(=S)[C@@H]1CCCc2cc(C)cnc21 ZINC000169314346 188657117 /nfs/dbraw/zinc/65/71/17/188657117.db2.gz BHDCAMGYNHBHAD-CYBMUJFWSA-N 0 0 262.422 3.527 10 0 CHAERN COc1cc2c(C=O)cn(Cc3ccccc3)c2c(C)c1 ZINC000198778101 189683347 /nfs/dbraw/zinc/68/33/47/189683347.db2.gz VNNPVIPQWAOMKV-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN C[C@@H](Nc1ncc(Cl)cc1F)c1cccc(O)c1 ZINC000175399778 261226024 /nfs/dbraw/zinc/22/60/24/261226024.db2.gz HEPZNJDMEUUOJK-MRVPVSSYSA-N 0 0 266.703 3.753 10 0 CHAERN Cc1cccc([C@@H](C)SCc2nnnn2C(C)C)c1 ZINC000176905443 261315651 /nfs/dbraw/zinc/31/56/51/261315651.db2.gz JXOUGLKQLAJTIE-GFCCVEGCSA-N 0 0 276.409 3.557 10 0 CHAERN CCCn1c2ccccc2s/c1=N/CC(=O)C(C)(C)C ZINC000261492753 190039411 /nfs/dbraw/zinc/03/94/11/190039411.db2.gz WTUAMRUZKMPPOE-BMRADRMJSA-N 0 0 290.432 3.629 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 ZINC000050744994 522629039 /nfs/dbraw/zinc/62/90/39/522629039.db2.gz FDIBDSUFTUGJDV-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN C[C@H]1CCCC[C@@]1(O)c1ccccc1Br ZINC000521402095 256845259 /nfs/dbraw/zinc/84/52/59/256845259.db2.gz YKCOSZVRPACSNL-GWCFXTLKSA-N 0 0 269.182 3.847 10 0 CHAERN CCn1c(C)nnc1CS[C@@H]1CCCc2ccccc21 ZINC000171412913 335065394 /nfs/dbraw/zinc/06/53/94/335065394.db2.gz KFYDIGCJHUIXFC-OAHLLOKOSA-N 0 0 287.432 3.917 10 0 CHAERN C[C@@H]1c2ccsc2CCN1c1ccc(C=O)cc1F ZINC000042770242 134896722 /nfs/dbraw/zinc/89/67/22/134896722.db2.gz AMJMKVDANCUWQI-SNVBAGLBSA-N 0 0 275.348 3.823 10 0 CHAERN Cc1cc(Cl)cc2sc(NC(=O)C(C)C)nc21 ZINC000004331254 169958737 /nfs/dbraw/zinc/95/87/37/169958737.db2.gz LKCAPSYESMMROL-UHFFFAOYSA-N 0 0 268.769 3.853 10 0 CHAERN COc1cc(-c2ccccc2)c(OC(C)=O)c2ccn(C)c21 ZINC000005138069 170070001 /nfs/dbraw/zinc/07/00/01/170070001.db2.gz UHGGYLZZFVIIQU-UHFFFAOYSA-N 0 0 295.338 3.779 10 0 CHAERN CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1O ZINC000005160809 170072385 /nfs/dbraw/zinc/07/23/85/170072385.db2.gz NEFFYAYMFWPCHZ-BQYQJAHWSA-N 0 0 253.301 3.521 10 0 CHAERN CCC[C@H](O)[C@@H](C)Sc1nc2ccccc2s1 ZINC000005310860 170084865 /nfs/dbraw/zinc/08/48/65/170084865.db2.gz ZVJAAIVVPNYVCM-KOLCDFICSA-N 0 0 267.419 3.938 10 0 CHAERN C[C@@H](c1cn(C)c2ccccc12)n1nnc2ccccc21 ZINC000005330327 170086419 /nfs/dbraw/zinc/08/64/19/170086419.db2.gz LYXOYACXEXJGTP-LBPRGKRZSA-N 0 0 276.343 3.532 10 0 CHAERN NC(=S)c1ccc(COc2ccccc2Cl)cc1 ZINC000005592553 170117244 /nfs/dbraw/zinc/11/72/44/170117244.db2.gz RYTOWMUUAPZMSJ-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN Cc1cccc2c1CC(C)(C)N=C2Nc1nccs1 ZINC000005748238 170136620 /nfs/dbraw/zinc/13/66/20/170136620.db2.gz ORHDZINWBMQARI-UHFFFAOYSA-N 0 0 271.389 3.645 10 0 CHAERN Cc1ccc(OCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000005818295 170143767 /nfs/dbraw/zinc/14/37/67/170143767.db2.gz LTYHIJJUKCDPEE-UHFFFAOYSA-N 0 0 252.317 3.759 10 0 CHAERN CC[C@@H](C)Oc1cc(N)nc(Sc2cccc(C)c2)n1 ZINC000005845810 170146489 /nfs/dbraw/zinc/14/64/89/170146489.db2.gz MGHQYNZKXNVEGN-LLVKDONJSA-N 0 0 289.404 3.696 10 0 CHAERN CC(C)N(C(=O)/C=C/c1cccc(Cl)c1)C(C)C ZINC000005909339 170153892 /nfs/dbraw/zinc/15/38/92/170153892.db2.gz GXGGMEYOZZPPLM-CMDGGOBGSA-N 0 0 265.784 3.999 10 0 CHAERN COc1ccccc1CC(=O)n1cnc2cc(C)c(C)cc21 ZINC000005926792 170156239 /nfs/dbraw/zinc/15/62/39/170156239.db2.gz KJRPBPCNGYWUAB-UHFFFAOYSA-N 0 0 294.354 3.545 10 0 CHAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1ccncc1 ZINC000005932165 170157308 /nfs/dbraw/zinc/15/73/08/170157308.db2.gz NBHFWMITXRYMCK-PLNGDYQASA-N 0 0 276.698 3.526 10 0 CHAERN COc1cccc(-c2nc(-c3ccc(C)cc3C)n[nH]2)c1 ZINC000006070607 170174283 /nfs/dbraw/zinc/17/42/83/170174283.db2.gz KDHPVMSRQLEZQR-UHFFFAOYSA-N 0 0 279.343 3.764 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)cc1Cl ZINC000006285161 170188288 /nfs/dbraw/zinc/18/82/88/170188288.db2.gz BABQKGMGHRNMCW-LBPRGKRZSA-N 0 0 294.826 3.898 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000006471122 170203926 /nfs/dbraw/zinc/20/39/26/170203926.db2.gz PQNQEHZYCFSXQO-SZGUKTLCSA-N 0 0 265.356 3.967 10 0 CHAERN Cc1ccc2[nH]c(SC[C@H](O)c3ccccc3)nc2c1 ZINC000006746144 170239420 /nfs/dbraw/zinc/23/94/20/170239420.db2.gz KFIPFGOOSMYQIR-HNNXBMFYSA-N 0 0 284.384 3.697 10 0 CHAERN COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1 ZINC000006793343 170244494 /nfs/dbraw/zinc/24/44/94/170244494.db2.gz XMEYJIADPGSYPN-UHFFFAOYSA-N 0 0 292.342 3.972 10 0 CHAERN C[C@@H]1Cc2ccccc2N1C(=S)NCc1ccccc1 ZINC000006957418 170258765 /nfs/dbraw/zinc/25/87/65/170258765.db2.gz IYLVPVCFIVZWFM-CYBMUJFWSA-N 0 0 282.412 3.512 10 0 CHAERN Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1O ZINC000007264112 170274399 /nfs/dbraw/zinc/27/43/99/170274399.db2.gz QLKDQCHGHZGRFT-INIZCTEOSA-N 0 0 281.355 3.508 10 0 CHAERN COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000007597632 170292455 /nfs/dbraw/zinc/29/24/55/170292455.db2.gz LAEYBNXXFBHFEB-NSHDSACASA-N 0 0 289.762 3.840 10 0 CHAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1ccccc1 ZINC000008016064 170313361 /nfs/dbraw/zinc/31/33/61/170313361.db2.gz UDUANVYLOBSGGZ-UHFFFAOYSA-N 0 0 293.370 3.798 10 0 CHAERN Cc1cccc(/C=C/C(=O)NC2CCCCCC2)c1 ZINC000008085337 170318198 /nfs/dbraw/zinc/31/81/98/170318198.db2.gz ACLHGMFKJDHQLH-VAWYXSNFSA-N 0 0 257.377 3.847 10 0 CHAERN Cc1cccc(NC(=O)/C=C/c2ccccc2C)c1 ZINC000008206647 170324218 /nfs/dbraw/zinc/32/42/18/170324218.db2.gz BJUOKZYTVIXXOR-ZHACJKMWSA-N 0 0 251.329 3.955 10 0 CHAERN Cc1cccc(NC(=O)c2cc(C)nc3ccc(F)cc32)n1 ZINC000008415376 170335632 /nfs/dbraw/zinc/33/56/32/170335632.db2.gz JOWKMAMGORRLIH-UHFFFAOYSA-N 0 0 295.317 3.638 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)N(C)c1ccccc1 ZINC000008548368 170339657 /nfs/dbraw/zinc/33/96/57/170339657.db2.gz RFOVNHSUGSVSCG-UHFFFAOYSA-N 0 0 294.329 3.959 10 0 CHAERN CC(=O)N(Cc1ccco1)c1nc2ccc(C)cc2s1 ZINC000008737666 170353450 /nfs/dbraw/zinc/35/34/50/170353450.db2.gz JCXUMQULIZELBE-UHFFFAOYSA-N 0 0 286.356 3.751 10 0 CHAERN COc1ccc2c(c1)[C@@H]1OCC[C@H]1[C@H](c1ccccc1)N2 ZINC000009280409 170370048 /nfs/dbraw/zinc/37/00/48/170370048.db2.gz NWWOTCODERDUTN-JCGIZDLHSA-N 0 0 281.355 3.940 10 0 CHAERN CCCCOc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009777711 170385854 /nfs/dbraw/zinc/38/58/54/170385854.db2.gz IVMLBGOVDLSAQC-UHFFFAOYSA-N 0 0 295.338 3.666 10 0 CHAERN Cc1nn(C(=O)COc2cccc3ccccc32)c(C)c1C ZINC000010155588 170398940 /nfs/dbraw/zinc/39/89/40/170398940.db2.gz BYMRSIXEHOJKFV-UHFFFAOYSA-N 0 0 294.354 3.681 10 0 CHAERN Cc1nn(C(=O)COc2ccc3ccccc3c2)c(C)c1C ZINC000010155534 170399137 /nfs/dbraw/zinc/39/91/37/170399137.db2.gz AZYHLDCSFSFXIT-UHFFFAOYSA-N 0 0 294.354 3.681 10 0 CHAERN CC(=O)CC(C)(C)c1ccc(Br)cc1 ZINC000011631290 170429261 /nfs/dbraw/zinc/42/92/61/170429261.db2.gz YUWLIVYXKWOESL-UHFFFAOYSA-N 0 0 255.155 3.706 10 0 CHAERN OC[C@@H](Cc1cccs1)c1ccccc1Cl ZINC000011734606 170436632 /nfs/dbraw/zinc/43/66/32/170436632.db2.gz LTNWULWDOJGABK-SNVBAGLBSA-N 0 0 252.766 3.720 10 0 CHAERN O=c1c2ccccc2c(-c2cccnc2)nn1C1CCCC1 ZINC000013600550 170567785 /nfs/dbraw/zinc/56/77/85/170567785.db2.gz VJQWNDXTDDCKNB-UHFFFAOYSA-N 0 0 291.354 3.574 10 0 CHAERN Cc1cccc(C(=O)[C@H]2CCCc3cccnc32)c1 ZINC000013602694 170568037 /nfs/dbraw/zinc/56/80/37/170568037.db2.gz TXSRBRJNVBPYLK-HNNXBMFYSA-N 0 0 251.329 3.693 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@@]43CO)[C@@H]1CC[C@@H]2O ZINC000013737742 170584803 /nfs/dbraw/zinc/58/48/03/170584803.db2.gz NGYZCWFJXYBEIT-KOUJMVCDSA-N 0 0 290.447 3.673 10 0 CHAERN Cc1ccc(-c2cc(=O)c3c(C)cc(C)[nH]c-3n2)cc1 ZINC000013763767 170590318 /nfs/dbraw/zinc/59/03/18/170590318.db2.gz JMIJQUSJCPEKAN-UHFFFAOYSA-N 0 0 264.328 3.515 10 0 CHAERN C[C@H]1Cc2ccccc2N1C(=S)Nc1cccc(F)c1 ZINC000013838922 170603954 /nfs/dbraw/zinc/60/39/54/170603954.db2.gz FBVBWGMTJRVCBT-NSHDSACASA-N 0 0 286.375 3.974 10 0 CHAERN CCC(=O)Nc1cccc(NC(=O)Cc2ccccc2C)c1 ZINC000014562280 170637457 /nfs/dbraw/zinc/63/74/57/170637457.db2.gz JXIJVPGELXCNLS-UHFFFAOYSA-N 0 0 296.370 3.525 10 0 CHAERN CCCCOc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000014783899 170645226 /nfs/dbraw/zinc/64/52/26/170645226.db2.gz LYWWHXPAZKFHBP-UHFFFAOYSA-N 0 0 295.338 3.666 10 0 CHAERN CCCOc1ccccc1C(=O)Oc1ccc(C=O)cc1 ZINC000014779864 170645312 /nfs/dbraw/zinc/64/53/12/170645312.db2.gz DLMJFEFVBISUSM-UHFFFAOYSA-N 0 0 284.311 3.507 10 0 CHAERN Cc1ccc(NC(=O)c2c(C)cccc2N)cc1Cl ZINC000019391341 170781718 /nfs/dbraw/zinc/78/17/18/170781718.db2.gz GMYCYGBMOUFLCG-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Cc1cccc(NC(=O)[C@@H]2C[C@@H](C)Nc3ccccc32)c1 ZINC000019436865 170800280 /nfs/dbraw/zinc/80/02/80/170800280.db2.gz JKBXINJWYJFDPZ-CZUORRHYSA-N 0 0 280.371 3.921 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2N1 ZINC000019471135 170804872 /nfs/dbraw/zinc/80/48/72/170804872.db2.gz SOVUZFAJRWAPNY-LQKXBSAESA-N 0 0 286.419 3.669 10 0 CHAERN Cc1ccc(Oc2cccc(Br)c2)nc1 ZINC000019518737 170824905 /nfs/dbraw/zinc/82/49/05/170824905.db2.gz KEUDHKWAABDPRT-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1N ZINC000019846107 170894455 /nfs/dbraw/zinc/89/44/55/170894455.db2.gz HBJNAIFJEFBJEI-GFCCVEGCSA-N 0 0 286.400 3.529 10 0 CHAERN COc1cccc(Oc2ccc(C(C)=O)cc2F)c1 ZINC000019871467 170901907 /nfs/dbraw/zinc/90/19/07/170901907.db2.gz VHNPFNXZUGMQEN-UHFFFAOYSA-N 0 0 260.264 3.829 10 0 CHAERN COc1cc(CNc2cccc(Cl)c2)ccc1O ZINC000019920284 170928263 /nfs/dbraw/zinc/92/82/63/170928263.db2.gz MXQJKGKUCJWLLA-UHFFFAOYSA-N 0 0 263.724 3.666 10 0 CHAERN FC(F)(F)CNc1cccc(OC(F)(F)F)c1 ZINC000020056278 170981266 /nfs/dbraw/zinc/98/12/66/170981266.db2.gz GYRKKIARFMDXOX-UHFFFAOYSA-N 0 0 259.149 3.559 10 0 CHAERN NC(=S)c1ccccc1Nc1ccc(Cl)cc1 ZINC000020076860 170984810 /nfs/dbraw/zinc/98/48/10/170984810.db2.gz OTETUYVAQMRXHS-UHFFFAOYSA-N 0 0 262.765 3.718 10 0 CHAERN CNC(=O)c1cccc(N[C@H](C)c2cc(C)sc2C)c1 ZINC000020124771 171007309 /nfs/dbraw/zinc/00/73/09/171007309.db2.gz CVZOETFNODCIPW-LLVKDONJSA-N 0 0 288.416 3.898 10 0 CHAERN Cc1nn(C)c(C)c1NCc1ccc(C(C)C)cc1 ZINC000020134784 171022758 /nfs/dbraw/zinc/02/27/58/171022758.db2.gz LFERVJYBTZXDKG-UHFFFAOYSA-N 0 0 257.381 3.772 10 0 CHAERN CN(C(=O)c1ccccc1C(F)(F)F)c1ccc(O)cc1 ZINC000020210543 171073853 /nfs/dbraw/zinc/07/38/53/171073853.db2.gz NJQZENLOFKCQNX-UHFFFAOYSA-N 0 0 295.260 3.688 10 0 CHAERN CC(C)[C@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000020298729 171138277 /nfs/dbraw/zinc/13/82/77/171138277.db2.gz ZJSSATCRHXGPDY-YFKPBYRVSA-N 0 0 253.214 3.839 10 0 CHAERN CC(C)[C@@H](C)Nc1c(F)c(F)c(F)c(F)c1F ZINC000020298728 171138330 /nfs/dbraw/zinc/13/83/30/171138330.db2.gz ZJSSATCRHXGPDY-RXMQYKEDSA-N 0 0 253.214 3.839 10 0 CHAERN CC(C)c1ccccc1N[C@H](C)C(=O)NC1CCCC1 ZINC000020301076 171138956 /nfs/dbraw/zinc/13/89/56/171138956.db2.gz QQZMCXDJBHTUTI-CYBMUJFWSA-N 0 0 274.408 3.669 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NC2CCCC2)c(Cl)c1 ZINC000020301035 171138965 /nfs/dbraw/zinc/13/89/65/171138965.db2.gz UICWHASCAJEAKG-NSHDSACASA-N 0 0 280.799 3.508 10 0 CHAERN C[C@@H](Nc1cccc(Cl)c1F)C(=O)NC1CCCCC1 ZINC000020301656 171139391 /nfs/dbraw/zinc/13/93/91/171139391.db2.gz AJHXONIGCGOUHI-SNVBAGLBSA-N 0 0 298.789 3.728 10 0 CHAERN C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000020313768 171145700 /nfs/dbraw/zinc/14/57/00/171145700.db2.gz KKHWPBCSJCSRJU-QMMMGPOBSA-N 0 0 289.206 3.709 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(N)ccc2Cl)cc1C ZINC000020343479 171153438 /nfs/dbraw/zinc/15/34/38/171153438.db2.gz KIWOOTRBCPFPCS-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1ccc(OCCc2cccs2)c(Cl)c1 ZINC000020351971 171156213 /nfs/dbraw/zinc/15/62/13/171156213.db2.gz MPQHLQUDZPIIFC-UHFFFAOYSA-N 0 0 253.754 3.605 10 0 CHAERN Cn1cccc1CNc1ccc(Br)cc1F ZINC000020359353 171158008 /nfs/dbraw/zinc/15/80/08/171158008.db2.gz SABDKIGRUVEWQT-UHFFFAOYSA-N 0 0 283.144 3.539 10 0 CHAERN Cc1ccc(F)c(N[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000020360122 171158657 /nfs/dbraw/zinc/15/86/57/171158657.db2.gz RQDSFCHGOQDSAU-LBPRGKRZSA-N 0 0 272.323 3.573 10 0 CHAERN Cc1ccc(O)c(C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000020363046 171162107 /nfs/dbraw/zinc/16/21/07/171162107.db2.gz LRZZHJUDUJRSNM-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020365043 171163588 /nfs/dbraw/zinc/16/35/88/171163588.db2.gz IQNXQXLCQORBDE-NSHDSACASA-N 0 0 280.437 3.514 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1ccc(F)cc1Cl ZINC000020366803 171165350 /nfs/dbraw/zinc/16/53/50/171165350.db2.gz BXZBYULTGWLQMC-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN Cc1sc2[nH]c(-c3ccccc3C)nc(=O)c2c1C ZINC000020369065 171167236 /nfs/dbraw/zinc/16/72/36/171167236.db2.gz JXWUTAXJXZFWFS-UHFFFAOYSA-N 0 0 270.357 3.577 10 0 CHAERN Cc1ccc(Nc2ccccc2C(N)=S)c(F)c1 ZINC000020372665 171168815 /nfs/dbraw/zinc/16/88/15/171168815.db2.gz AVGORKSVTMQVAG-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1N ZINC000020374743 171170712 /nfs/dbraw/zinc/17/07/12/171170712.db2.gz QUGDIALRFMUFLO-UHFFFAOYSA-N 0 0 257.724 3.774 10 0 CHAERN C[C@@H](Nc1ccc(N)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000020382075 171172684 /nfs/dbraw/zinc/17/26/84/171172684.db2.gz NBEUSHBLHIZVKU-SFCYXTAJSA-N 0 0 271.408 3.681 10 0 CHAERN COc1ccccc1CNc1ccc(Cl)cc1N ZINC000020382243 171173416 /nfs/dbraw/zinc/17/34/16/171173416.db2.gz GUKWVJKTIHOZHK-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Nc1cccc(Cl)c1NCc1ccccc1F ZINC000020383893 171174560 /nfs/dbraw/zinc/17/45/60/171174560.db2.gz PICWOUJEJUFXRZ-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Cc1cccc(COc2c(C)cc(CO)cc2C)c1 ZINC000020425103 171191294 /nfs/dbraw/zinc/19/12/94/171191294.db2.gz GFKSOOXPYPMMNG-UHFFFAOYSA-N 0 0 256.345 3.683 10 0 CHAERN Cc1ccc(NC(=O)c2cccc(C)c2N)c(Cl)c1 ZINC000020470967 171213641 /nfs/dbraw/zinc/21/36/41/171213641.db2.gz PJKZNKBQZRBMTJ-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN CCOC(=O)c1cnc2c(F)c(Cl)ccc2c1Cl ZINC000020472629 171215442 /nfs/dbraw/zinc/21/54/42/171215442.db2.gz LJXZJJJXOGMWKF-UHFFFAOYSA-N 0 0 288.105 3.857 10 0 CHAERN CC(C)c1ccc(COc2cccc(CO)c2)cc1 ZINC000020475738 171219763 /nfs/dbraw/zinc/21/97/63/171219763.db2.gz VUKHVTHMDCACSK-UHFFFAOYSA-N 0 0 256.345 3.881 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cc(C(N)=S)ccn1 ZINC000020548783 171245912 /nfs/dbraw/zinc/24/59/12/171245912.db2.gz GYRKTVNMZBZODE-BNOWGMLFSA-N 0 0 292.448 3.555 10 0 CHAERN Cc1cnn([C@@H](C)c2cccc3ccccc32)c1N ZINC000020578720 171256822 /nfs/dbraw/zinc/25/68/22/171256822.db2.gz BAIPCIZJMJMWHE-LBPRGKRZSA-N 0 0 251.333 3.536 10 0 CHAERN CC(=O)[C@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594379 171263407 /nfs/dbraw/zinc/26/34/07/171263407.db2.gz JACHGLCJSCGZJP-GHMZBOCLSA-N 0 0 260.280 3.991 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncnc3sccc32)o1 ZINC000020669749 171269660 /nfs/dbraw/zinc/26/96/60/171269660.db2.gz FFIOCEDFGWAARX-SECBINFHSA-N 0 0 259.334 3.766 10 0 CHAERN CC(C)Sc1nnc(C(F)(F)F)n1-c1ccccc1 ZINC000020840705 171275625 /nfs/dbraw/zinc/27/56/25/171275625.db2.gz BPSCLJQGTGXWEK-UHFFFAOYSA-N 0 0 287.310 3.787 10 0 CHAERN Cc1ccc(OCc2cc(C(N)=S)ccc2F)c(C)c1 ZINC000021023651 171290991 /nfs/dbraw/zinc/29/09/91/171290991.db2.gz QOKBDPMQXFQPPH-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(F)cc1F ZINC000021321060 171302753 /nfs/dbraw/zinc/30/27/53/171302753.db2.gz VGWDXGATPVJZOC-NSHDSACASA-N 0 0 275.298 3.764 10 0 CHAERN CC(C)C[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021501233 171305569 /nfs/dbraw/zinc/30/55/69/171305569.db2.gz USNFXUVZQSCCND-VIFPVBQESA-N 0 0 257.280 3.855 10 0 CHAERN NC(=S)c1ccc(Nc2ccc(Cl)c(Cl)c2)nc1 ZINC000021505366 171307645 /nfs/dbraw/zinc/30/76/45/171307645.db2.gz NAHGNPIZOCUVPL-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN CC(C)(C)c1ccccc1Oc1ncccc1C(N)=S ZINC000021515983 171312562 /nfs/dbraw/zinc/31/25/62/171312562.db2.gz NKUYDBGGYMKWDY-UHFFFAOYSA-N 0 0 286.400 3.806 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1ccccc1C(N)=S ZINC000021791616 171324301 /nfs/dbraw/zinc/32/43/01/171324301.db2.gz FIXWAUXPXCDGCX-WCQYABFASA-N 0 0 263.406 3.668 10 0 CHAERN FC1(F)Oc2ccc(NCCc3ccccc3)cc2O1 ZINC000021810587 171328850 /nfs/dbraw/zinc/32/88/50/171328850.db2.gz GJECXFLFOJUGPY-UHFFFAOYSA-N 0 0 277.270 3.663 10 0 CHAERN O=Cc1ccc(O[C@H]2CCCc3ccccc32)cc1 ZINC000021819989 171334185 /nfs/dbraw/zinc/33/41/85/171334185.db2.gz OLFXCCJDCXJJRF-KRWDZBQOSA-N 0 0 252.313 3.956 10 0 CHAERN CCc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000021819688 171334309 /nfs/dbraw/zinc/33/43/09/171334309.db2.gz LOXDJBCYZWYXTP-AWEZNQCLSA-N 0 0 282.387 3.997 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000021965062 171343623 /nfs/dbraw/zinc/34/36/23/171343623.db2.gz IGCZTVFAVPXWPW-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN COc1ccccc1NC(=O)Nc1cc(Cl)ccc1N ZINC000021966840 171343917 /nfs/dbraw/zinc/34/39/17/171343917.db2.gz WMMKXDGSWOGCDW-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN COC(=O)c1cc(Cl)c2c(Cl)cc(Cl)cc2n1 ZINC000021986843 171345616 /nfs/dbraw/zinc/34/56/16/171345616.db2.gz UDHYGWXXADVTNF-UHFFFAOYSA-N 0 0 290.533 3.982 10 0 CHAERN C[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000021996863 171347907 /nfs/dbraw/zinc/34/79/07/171347907.db2.gz YKJJINLOTHGNPP-MEDUHNTESA-N 0 0 274.747 3.892 10 0 CHAERN Nc1ncc(Cc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000022151158 171358594 /nfs/dbraw/zinc/35/85/94/171358594.db2.gz KGDARSHCOPGPAO-UHFFFAOYSA-N 0 0 292.713 3.988 10 0 CHAERN CCCN(C(=O)c1ccccc1)c1cc(C)cc(C)n1 ZINC000027633091 171525640 /nfs/dbraw/zinc/52/56/40/171525640.db2.gz XPPZUCXGTHAFBX-UHFFFAOYSA-N 0 0 268.360 3.755 10 0 CHAERN Cc1cc(C)c(NC(=O)Nc2ccncc2)c(Cl)c1 ZINC000027979447 171541382 /nfs/dbraw/zinc/54/13/82/171541382.db2.gz FQLHSUIVFZTZPD-UHFFFAOYSA-N 0 0 275.739 3.996 10 0 CHAERN O=c1nc(/C=C\c2c[nH]c3ccccc23)oc2ccccc12 ZINC000033490018 171806966 /nfs/dbraw/zinc/80/69/66/171806966.db2.gz AOBQKOIATVZUIC-KTKRTIGZSA-N 0 0 288.306 3.840 10 0 CHAERN COc1ccc(SC[C@H](O)c2ccccc2)cc1 ZINC000034148070 171832666 /nfs/dbraw/zinc/83/26/66/171832666.db2.gz HWHARGPXVNGAIL-HNNXBMFYSA-N 0 0 260.358 3.521 10 0 CHAERN Cc1nc(CNc2ccc(F)cc2Cl)cs1 ZINC000034937918 171898196 /nfs/dbraw/zinc/89/81/96/171898196.db2.gz ZQGBMYRNZMRJBD-UHFFFAOYSA-N 0 0 256.733 3.856 10 0 CHAERN Cc1cccc(C(=O)Cc2nc3ccccc3o2)c1 ZINC000034940215 171899809 /nfs/dbraw/zinc/89/98/09/171899809.db2.gz GTDHKWADZMKJAL-UHFFFAOYSA-N 0 0 251.285 3.562 10 0 CHAERN Cc1ccc(COc2ccccc2Br)o1 ZINC000034962276 171906350 /nfs/dbraw/zinc/90/63/50/171906350.db2.gz ISFCUSIJSKJXFO-UHFFFAOYSA-N 0 0 267.122 3.930 10 0 CHAERN CCOc1ccc2[nH]c(S[C@H]3CCCCC3=O)nc2c1 ZINC000034980072 171912216 /nfs/dbraw/zinc/91/22/16/171912216.db2.gz UDGZUHFSBLSZQR-AWEZNQCLSA-N 0 0 290.388 3.565 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc2scnc2c1N ZINC000035060908 171962090 /nfs/dbraw/zinc/96/20/90/171962090.db2.gz FJTWIDFXJZGAJM-ZJUUUORDSA-N 0 0 262.378 3.836 10 0 CHAERN Cc1nnc(N[C@@H](C)c2ccccn2)c2ccccc12 ZINC000035122325 171992504 /nfs/dbraw/zinc/99/25/04/171992504.db2.gz YXNGRZFWZAPAMH-LBPRGKRZSA-N 0 0 264.332 3.506 10 0 CHAERN CC[C@@H](C)SCc1cc(C(C)=O)ccc1OC ZINC000035182593 172036201 /nfs/dbraw/zinc/03/62/01/172036201.db2.gz DUVDYUKSDMLSCN-SNVBAGLBSA-N 0 0 252.379 3.930 10 0 CHAERN Cc1ccc(C)c(O[C@H](C)C(=O)c2ccccc2)c1 ZINC000035182251 172036229 /nfs/dbraw/zinc/03/62/29/172036229.db2.gz MDSLMMTVDMNANO-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1ccc(OCC(=O)c2cc(F)ccc2F)cc1 ZINC000035183650 172036562 /nfs/dbraw/zinc/03/65/62/172036562.db2.gz FNRMPGINUOPIFE-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN O=C(COc1cccc2cccnc21)c1cccs1 ZINC000035183473 172036836 /nfs/dbraw/zinc/03/68/36/172036836.db2.gz CEHWILCGCVRVAR-UHFFFAOYSA-N 0 0 269.325 3.558 10 0 CHAERN Cc1cc(C)c(C(=O)COc2ccccc2)cc1C ZINC000035183884 172037192 /nfs/dbraw/zinc/03/71/92/172037192.db2.gz CAZFPMKIPFNIDF-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN Cc1ccccc1O[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000035183793 172037283 /nfs/dbraw/zinc/03/72/83/172037283.db2.gz GCARBEMTTKUAJC-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN C[C@@H](Oc1cccc(F)c1)C(=O)c1ccc(F)c(F)c1 ZINC000035184102 172037359 /nfs/dbraw/zinc/03/73/59/172037359.db2.gz CHOHEXSDMVHHDI-SECBINFHSA-N 0 0 280.245 3.754 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000035183854 172037450 /nfs/dbraw/zinc/03/74/50/172037450.db2.gz SMSZLSCFRIWIKL-SECBINFHSA-N 0 0 280.245 3.754 10 0 CHAERN CCc1ccc(-n2c(=O)c3ccsc3[nH]c2=S)cc1 ZINC000035206634 172051204 /nfs/dbraw/zinc/05/12/04/172051204.db2.gz BISNPJSGRSMKSP-UHFFFAOYSA-N 0 0 288.397 3.672 10 0 CHAERN COc1ccc(OCCCC(C)=O)c(C(C)(C)C)c1 ZINC000035231949 172071584 /nfs/dbraw/zinc/07/15/84/172071584.db2.gz LRYGKKPOLBGXSA-UHFFFAOYSA-N 0 0 264.365 3.741 10 0 CHAERN Cc1cccc(OCc2ccc(Br)s2)c1N ZINC000035283544 172101945 /nfs/dbraw/zinc/10/19/45/172101945.db2.gz GPPJDOGVOWGOTK-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Nc1ccc(F)cc1CSc1nc2ccccc2[nH]1 ZINC000035308912 172122046 /nfs/dbraw/zinc/12/20/46/172122046.db2.gz XRMCXMKRSPVESN-UHFFFAOYSA-N 0 0 273.336 3.577 10 0 CHAERN CC[C@H](N[C@H](C(=O)OC)C(C)C)c1cccc(Cl)c1 ZINC000035346494 172138705 /nfs/dbraw/zinc/13/87/05/172138705.db2.gz PAHOMIGJOAHNAK-KBPBESRZSA-N 0 0 283.799 3.578 10 0 CHAERN CCOc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000035368838 172160297 /nfs/dbraw/zinc/16/02/97/172160297.db2.gz VNKBISMBIAJVMO-UHFFFAOYSA-N 0 0 295.132 3.672 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)o2)cc1 ZINC000035368990 172160721 /nfs/dbraw/zinc/16/07/21/172160721.db2.gz FVMFOJYOLFOOTO-UHFFFAOYSA-N 0 0 265.106 3.582 10 0 CHAERN Cc1ccsc1C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000035379403 172162448 /nfs/dbraw/zinc/16/24/48/172162448.db2.gz GDKZZNFZGPVMNK-JTQLQIEISA-N 0 0 258.342 3.611 10 0 CHAERN Cc1ccoc1[C@H](N)c1cc(Cl)ccc1Cl ZINC000035382423 172165687 /nfs/dbraw/zinc/16/56/87/172165687.db2.gz PQJSHMKYPAQUPS-LLVKDONJSA-N 0 0 256.132 3.943 10 0 CHAERN CCCc1nn(Cc2ccc(C)cc2)c(Cl)c1C=O ZINC000035412646 172184738 /nfs/dbraw/zinc/18/47/38/172184738.db2.gz KWFVCSHAMMPABH-UHFFFAOYSA-N 0 0 276.767 3.658 10 0 CHAERN COc1ccc(C(=O)Cc2ccc(C)cc2)cc1F ZINC000035423852 172192392 /nfs/dbraw/zinc/19/23/92/172192392.db2.gz ILYCUTXJYAELOU-UHFFFAOYSA-N 0 0 258.292 3.568 10 0 CHAERN COc1ccc(C(=O)c2cc(C)cc(C)c2)cc1F ZINC000035424022 172192683 /nfs/dbraw/zinc/19/26/83/172192683.db2.gz OUDGWZQKDUQWBC-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN Cc1ccc(Oc2nc3sccn3c2C=O)c(C)c1 ZINC000035428527 172196840 /nfs/dbraw/zinc/19/68/40/172196840.db2.gz SLTSYXPROUHTIJ-UHFFFAOYSA-N 0 0 272.329 3.617 10 0 CHAERN CCN[C@@H](c1cccs1)c1c(F)cc(F)cc1F ZINC000035544556 172253032 /nfs/dbraw/zinc/25/30/32/172253032.db2.gz LVINSTFLTAPIPS-ZDUSSCGKSA-N 0 0 271.307 3.864 10 0 CHAERN CCN[C@H](c1ccc(C)o1)c1ccc(F)cc1F ZINC000035547236 172255444 /nfs/dbraw/zinc/25/54/44/172255444.db2.gz OBFPOVZKENWCKE-AWEZNQCLSA-N 0 0 251.276 3.565 10 0 CHAERN Clc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000035551851 172259296 /nfs/dbraw/zinc/25/92/96/172259296.db2.gz UMZLKCCVHSQEQS-UHFFFAOYSA-N 0 0 255.708 3.792 10 0 CHAERN CCCN[C@H](c1cc(F)ccc1F)C(F)(F)F ZINC000035580090 172275369 /nfs/dbraw/zinc/27/53/69/172275369.db2.gz UHJFUYGYRITJPY-SNVBAGLBSA-N 0 0 253.214 3.568 10 0 CHAERN CCCN[C@@H](c1ccc(C)o1)c1ccc(F)cc1F ZINC000035581873 172278519 /nfs/dbraw/zinc/27/85/19/172278519.db2.gz ZIZFUVVDKDHFNS-OAHLLOKOSA-N 0 0 265.303 3.955 10 0 CHAERN C[C@@H](O)c1cccc(OCc2ccc3ncccc3c2)c1 ZINC000035627726 172306013 /nfs/dbraw/zinc/30/60/13/172306013.db2.gz YDBNSMHCHLWRIG-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN Clc1cc(Cl)c(Cl)c2c1OC[C@@H]2NC1CC1 ZINC000035653156 172329893 /nfs/dbraw/zinc/32/98/93/172329893.db2.gz KGIXXAJWBHSKIA-QMMMGPOBSA-N 0 0 278.566 3.832 10 0 CHAERN C[C@@H](c1ccccn1)n1c2ccccc2[nH]c1=S ZINC000035695296 172363704 /nfs/dbraw/zinc/36/37/04/172363704.db2.gz WHVMQYHROCCEHK-JTQLQIEISA-N 0 0 255.346 3.703 10 0 CHAERN Cc1ccc2sc(N[C@H](C)[C@H]3CCCO3)nc2c1 ZINC000035736370 172389541 /nfs/dbraw/zinc/38/95/41/172389541.db2.gz WAZFZASIDQBAHZ-ZYHUDNBSSA-N 0 0 262.378 3.584 10 0 CHAERN COC(=O)[C@H](C)CNc1c(Cl)cccc1C(F)(F)F ZINC000035758376 172398900 /nfs/dbraw/zinc/39/89/00/172398900.db2.gz ZZORKOHAXFGUGT-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CN(CCc1c[nH]c2ccccc12)C(=O)c1cccc(F)c1 ZINC000035875446 172424010 /nfs/dbraw/zinc/42/40/10/172424010.db2.gz HLEWJDJESAKKKL-UHFFFAOYSA-N 0 0 296.345 3.622 10 0 CHAERN FC(F)(F)c1ccccc1-c1ccc(Cl)nn1 ZINC000036168384 172485116 /nfs/dbraw/zinc/48/51/16/172485116.db2.gz XANMZWJQMJLOMT-UHFFFAOYSA-N 0 0 258.630 3.816 10 0 CHAERN C/C(=C\c1ccccc1F)C(=O)NCc1ccccc1 ZINC000036172329 172490938 /nfs/dbraw/zinc/49/09/38/172490938.db2.gz UVDYYUUYTWEBJT-ACCUITESSA-N 0 0 269.319 3.545 10 0 CHAERN COc1ccc(C(=O)C2CCCC2)cc1Br ZINC000036176581 172496498 /nfs/dbraw/zinc/49/64/98/172496498.db2.gz CQYWHQSOLUXNDG-UHFFFAOYSA-N 0 0 283.165 3.831 10 0 CHAERN Cc1nc(N)sc1Cc1ccc(C)c(Br)c1 ZINC000036220158 172518103 /nfs/dbraw/zinc/51/81/03/172518103.db2.gz QQLMMHRKPPQWCG-UHFFFAOYSA-N 0 0 297.221 3.695 10 0 CHAERN N#CN1CCc2ccc3sc4ccccc4c3c2C1 ZINC000036216426 172518182 /nfs/dbraw/zinc/51/81/82/172518182.db2.gz PRLAZPOFYCGIRI-UHFFFAOYSA-N 0 0 264.353 3.894 10 0 CHAERN OCCCCOc1ccc(Cl)c2ccccc12 ZINC000036325602 172609262 /nfs/dbraw/zinc/60/92/62/172609262.db2.gz HWXFNYLVWSFXDO-UHFFFAOYSA-N 0 0 250.725 3.645 10 0 CHAERN COc1ccc(Br)c2cc(C)cc(OC)c12 ZINC000036432059 172636095 /nfs/dbraw/zinc/63/60/95/172636095.db2.gz DRAOMCRNLNFOGN-UHFFFAOYSA-N 0 0 281.149 3.928 10 0 CHAERN COC(=O)c1nc(C)sc1-c1ccc(Cl)cc1 ZINC000036473792 172638234 /nfs/dbraw/zinc/63/82/34/172638234.db2.gz XJKOJTMLHIBIOP-UHFFFAOYSA-N 0 0 267.737 3.559 10 0 CHAERN Nc1onc(-c2ccoc2)c1-c1ccc(Cl)cc1 ZINC000036936782 172816016 /nfs/dbraw/zinc/81/60/16/172816016.db2.gz WMGXWABRNLLBCR-UHFFFAOYSA-N 0 0 260.680 3.837 10 0 CHAERN CCOc1ccccc1CNc1cccnc1Cl ZINC000036982601 172849030 /nfs/dbraw/zinc/84/90/30/172849030.db2.gz CMTAPWGFAXGTLA-UHFFFAOYSA-N 0 0 262.740 3.746 10 0 CHAERN FC(F)(F)c1ccc(NC[C@@H]2CCOC2)c(Cl)c1 ZINC000037047680 172914495 /nfs/dbraw/zinc/91/44/95/172914495.db2.gz HYRCOCKNYRWOFH-QMMMGPOBSA-N 0 0 279.689 3.807 10 0 CHAERN FC(F)(F)c1ccc(NC[C@H]2CCOC2)c(Cl)c1 ZINC000037047681 172914793 /nfs/dbraw/zinc/91/47/93/172914793.db2.gz HYRCOCKNYRWOFH-MRVPVSSYSA-N 0 0 279.689 3.807 10 0 CHAERN c1cc(-c2ccc(NC[C@@H]3CC=CCC3)cc2)n[nH]1 ZINC000037104612 172957315 /nfs/dbraw/zinc/95/73/15/172957315.db2.gz OBEPRSYUCCMKDZ-CYBMUJFWSA-N 0 0 253.349 3.845 10 0 CHAERN C[C@H](Nc1ccc(-n2nccn2)cc1)c1cccs1 ZINC000037128330 172973320 /nfs/dbraw/zinc/97/33/20/172973320.db2.gz WCCPBDKSSHIBQP-NSHDSACASA-N 0 0 270.361 3.502 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc3oc(=O)[nH]c3c2)s1 ZINC000037130088 172974323 /nfs/dbraw/zinc/97/43/23/172974323.db2.gz CGFUZKQYFKFGTF-VIFPVBQESA-N 0 0 274.345 3.664 10 0 CHAERN Nc1ccc(SCc2ccc3ccccc3n2)nc1 ZINC000037191779 173020835 /nfs/dbraw/zinc/02/08/35/173020835.db2.gz NUTHEBRLUYOQGM-UHFFFAOYSA-N 0 0 267.357 3.504 10 0 CHAERN CCc1nc(CSc2ccc(N)cc2F)cs1 ZINC000037194124 173023185 /nfs/dbraw/zinc/02/31/85/173023185.db2.gz IFPLGQPOBNTYRL-UHFFFAOYSA-N 0 0 268.382 3.719 10 0 CHAERN C[C@H]1CCC[C@@H](n2c(=S)[nH]nc2-c2cccnc2)C1 ZINC000037256362 173066866 /nfs/dbraw/zinc/06/68/66/173066866.db2.gz KYQLXZFLYGJIPT-CMPLNLGQSA-N 0 0 274.393 3.754 10 0 CHAERN CCCC[C@H](C)Nc1cccc(Cl)c1-n1cncn1 ZINC000037304559 173109724 /nfs/dbraw/zinc/10/97/24/173109724.db2.gz RQCRWFXNCUVTEP-NSHDSACASA-N 0 0 278.787 3.911 10 0 CHAERN CCCCN(C)c1ccc(C(N)=S)c(C(F)(F)F)c1 ZINC000037306543 173110306 /nfs/dbraw/zinc/11/03/06/173110306.db2.gz XWCKSFFGLOAFLQ-UHFFFAOYSA-N 0 0 290.354 3.576 10 0 CHAERN CCn1c(C)cc(C(=O)CO[C@H](C)CC(C)C)c1C ZINC000037345638 173143271 /nfs/dbraw/zinc/14/32/71/173143271.db2.gz RUILAQNUDNKZHD-CYBMUJFWSA-N 0 0 265.397 3.759 10 0 CHAERN Cc1cccc(C)c1OCC(=O)c1ccccc1F ZINC000037347098 173144120 /nfs/dbraw/zinc/14/41/20/173144120.db2.gz IBQRWZRRGJMLSF-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN CCCCCCOCC(=O)c1cc(C)n(CC)c1C ZINC000037349882 173144830 /nfs/dbraw/zinc/14/48/30/173144830.db2.gz SZIFCCAFAQEGDQ-UHFFFAOYSA-N 0 0 265.397 3.904 10 0 CHAERN COc1ccc(F)cc1C(=O)Cc1ccc(Cl)cc1 ZINC000037362298 173151885 /nfs/dbraw/zinc/15/18/85/173151885.db2.gz YGFCFYREYLURPR-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN Cc1cc(=O)c2cccc(Oc3ccccc3)c2[nH]1 ZINC000037507580 173241904 /nfs/dbraw/zinc/24/19/04/173241904.db2.gz ZWSLXKLDPSVRLZ-UHFFFAOYSA-N 0 0 251.285 3.629 10 0 CHAERN COC(=O)c1ccc(C)c(NCc2ccc(Cl)o2)c1 ZINC000037507960 173241969 /nfs/dbraw/zinc/24/19/69/173241969.db2.gz NNVKZKWNICGNQY-UHFFFAOYSA-N 0 0 279.723 3.640 10 0 CHAERN C[C@@](O)(Cc1cccc(Br)c1)c1ccccc1 ZINC000037530482 173252767 /nfs/dbraw/zinc/25/27/67/173252767.db2.gz ZBYOVDJLZXAOCI-OAHLLOKOSA-N 0 0 291.188 3.899 10 0 CHAERN COc1ccccc1[C@H](O)Cc1ccc(Cl)cc1 ZINC000037532046 173253359 /nfs/dbraw/zinc/25/33/59/173253359.db2.gz PMYUREDSWUNLRS-CQSZACIVSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000037532254 173253668 /nfs/dbraw/zinc/25/36/68/173253668.db2.gz DXCCNPCKDFEQTR-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN CCOc1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000037658105 173606188 /nfs/dbraw/zinc/60/61/88/173606188.db2.gz ZZETWZUPITXHCV-HNNXBMFYSA-N 0 0 262.736 3.820 10 0 CHAERN Cc1ccc2oc([C@@H]3Cc4ccccc4N3)nc2c1 ZINC000037746415 173667886 /nfs/dbraw/zinc/66/78/86/173667886.db2.gz XWTHXWOJBGOUJK-AWEZNQCLSA-N 0 0 250.301 3.846 10 0 CHAERN COC(=O)c1cc(Cl)ccc1NCc1cnc(C)s1 ZINC000037797230 173731935 /nfs/dbraw/zinc/73/19/35/173731935.db2.gz GWNYYXFOSGRWRD-UHFFFAOYSA-N 0 0 296.779 3.504 10 0 CHAERN COC(=O)[C@H](Nc1ccc(C)cc1)C1CCCCC1 ZINC000037953427 173895326 /nfs/dbraw/zinc/89/53/26/173895326.db2.gz OUGHDOMBDKPLFO-OAHLLOKOSA-N 0 0 261.365 3.529 10 0 CHAERN COC(=O)[C@@](C)(CC(C)C)Nc1ccc(Cl)cc1 ZINC000037962473 173905538 /nfs/dbraw/zinc/90/55/38/173905538.db2.gz ZLOIRVUERHJYMN-CQSZACIVSA-N 0 0 269.772 3.730 10 0 CHAERN COC(=O)[C@@](C)(NC1CCCCCC1)c1ccccc1F ZINC000037972589 173925471 /nfs/dbraw/zinc/92/54/71/173925471.db2.gz PBMSTJGSKDGTOQ-KRWDZBQOSA-N 0 0 293.382 3.526 10 0 CHAERN Cc1cc(Cl)ccc1Oc1ccc(Cl)nn1 ZINC000037977891 173934654 /nfs/dbraw/zinc/93/46/54/173934654.db2.gz KNBBRPLCLIXGGL-UHFFFAOYSA-N 0 0 255.104 3.884 10 0 CHAERN O[C@@H]1CCCC[C@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037980167 173938712 /nfs/dbraw/zinc/93/87/12/173938712.db2.gz KKQUHXGABHFVFZ-VXGBXAGGSA-N 0 0 261.148 3.676 10 0 CHAERN C[C@@H](NC(=O)c1ccc(Cl)nc1)c1cc(F)ccc1F ZINC000037983482 173944569 /nfs/dbraw/zinc/94/45/69/173944569.db2.gz YSVVVUVHHUGKSH-MRVPVSSYSA-N 0 0 296.704 3.504 10 0 CHAERN Cn1cc(NCc2cc(-c3ccccc3)cs2)ccc1=O ZINC000038030862 174024051 /nfs/dbraw/zinc/02/40/51/174024051.db2.gz LRUSFKADIJWWNF-UHFFFAOYSA-N 0 0 296.395 3.726 10 0 CHAERN Nc1ccc(Cl)c(Nc2nc3ccccc3[nH]2)c1 ZINC000038033833 174031847 /nfs/dbraw/zinc/03/18/47/174031847.db2.gz LVKPSPPKUYZFNY-UHFFFAOYSA-N 0 0 258.712 3.542 10 0 CHAERN Cc1noc(CN[C@H](C)c2sc3ccccc3c2C)n1 ZINC000038033967 174032024 /nfs/dbraw/zinc/03/20/24/174032024.db2.gz UJPOFZAJYZFLHQ-SNVBAGLBSA-N 0 0 287.388 3.752 10 0 CHAERN CCCCN(CCCC)c1c(F)cc(N)cc1F ZINC000038039935 174039532 /nfs/dbraw/zinc/03/95/32/174039532.db2.gz KFBPXRSPGHJKRA-UHFFFAOYSA-N 0 0 256.340 3.954 10 0 CHAERN Nc1cc(F)c(Sc2ccc(F)cc2F)c(F)c1 ZINC000038040440 174040154 /nfs/dbraw/zinc/04/01/54/174040154.db2.gz GRNDGIIKQYXIKX-UHFFFAOYSA-N 0 0 273.254 3.976 10 0 CHAERN COc1ccc(Cl)cc1CNc1cccc(O)c1 ZINC000038051529 174062909 /nfs/dbraw/zinc/06/29/09/174062909.db2.gz NMZMHNXVQIPNMB-UHFFFAOYSA-N 0 0 263.724 3.666 10 0 CHAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000038066109 174077642 /nfs/dbraw/zinc/07/76/42/174077642.db2.gz NDWYUBFUFIOZFC-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](C)N[C@H](C(=O)OC)c1c(Cl)cccc1Cl ZINC000038066825 174078703 /nfs/dbraw/zinc/07/87/03/174078703.db2.gz DNKIBMAMPUZYPB-UFBFGSQYSA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1ccc(Cl)cc1 ZINC000038067698 174079471 /nfs/dbraw/zinc/07/94/71/174079471.db2.gz LKUVTNDYSTUPOD-IAQYHMDHSA-N 0 0 283.799 3.506 10 0 CHAERN CCCCCC[C@@](C)(N[C@@H](C)CC)C(=O)OCC ZINC000038067937 174079977 /nfs/dbraw/zinc/07/99/77/174079977.db2.gz FOUWBTDIIWOUGG-DZGCQCFKSA-N 0 0 257.418 3.667 10 0 CHAERN CCOC(=O)[C@](CC)(C[C@@H](C)CC)N[C@@H](C)CC ZINC000038067829 174079982 /nfs/dbraw/zinc/07/99/82/174079982.db2.gz AFSNJYULCKGUNB-YDHLFZDLSA-N 0 0 257.418 3.523 10 0 CHAERN COc1ccc(-c2cc(Cl)ccc2OC)cc1C=O ZINC000038069669 174081028 /nfs/dbraw/zinc/08/10/28/174081028.db2.gz APLALCHEPDMWTN-UHFFFAOYSA-N 0 0 276.719 3.837 10 0 CHAERN COc1ccc(-c2ccc3c(c2)CCC3)cc1C=O ZINC000038071886 174082639 /nfs/dbraw/zinc/08/26/39/174082639.db2.gz UUIBUXMBDWSGIQ-UHFFFAOYSA-N 0 0 252.313 3.663 10 0 CHAERN Cc1cc(C)cc(C[C@@](C)(O)c2ccccc2F)c1 ZINC000038077069 174087584 /nfs/dbraw/zinc/08/75/84/174087584.db2.gz MVARINVYJDKOQZ-QGZVFWFLSA-N 0 0 258.336 3.893 10 0 CHAERN Cc1cc(C)cc(COc2cccc([C@@H](C)O)c2)c1 ZINC000038076905 174087702 /nfs/dbraw/zinc/08/77/02/174087702.db2.gz UMZSFYAHKANMAH-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1csc(CN[C@@H](C)c2c(C)cc(C)nc2C)n1 ZINC000038091110 174104771 /nfs/dbraw/zinc/10/47/71/174104771.db2.gz ZEVVHSAFLZMUHS-LBPRGKRZSA-N 0 0 275.421 3.623 10 0 CHAERN CCCS(=O)(=O)c1ccc(NCCCC(C)C)cc1 ZINC000038094012 174107336 /nfs/dbraw/zinc/10/73/36/174107336.db2.gz AHWVGKPWDNZYFO-UHFFFAOYSA-N 0 0 283.437 3.718 10 0 CHAERN Cc1ncc(N)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000038094927 174108861 /nfs/dbraw/zinc/10/88/61/174108861.db2.gz YSTWGLAHJNIZHC-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Nc1ccc(C(c2ccccc2)c2ccccc2)nc1 ZINC000038222611 174137536 /nfs/dbraw/zinc/13/75/36/174137536.db2.gz ZEUAGPNOMWQKFO-UHFFFAOYSA-N 0 0 260.340 3.844 10 0 CHAERN CCc1nc2ccccc2c(N(C)c2ccc(OC)cc2)n1 ZINC000038320798 174139739 /nfs/dbraw/zinc/13/97/39/174139739.db2.gz CMANRZWLVWEYKY-UHFFFAOYSA-N 0 0 293.370 3.969 10 0 CHAERN O=C(c1ccc2ccccn21)c1ccc(Cl)cc1 ZINC000038919940 174159381 /nfs/dbraw/zinc/15/93/81/174159381.db2.gz UKOXJUYPEWYGRQ-UHFFFAOYSA-N 0 0 255.704 3.824 10 0 CHAERN Brc1ccc2c(c1)[C@@H](O[C@@H]1CCCCO1)CC2 ZINC000038957843 174160409 /nfs/dbraw/zinc/16/04/09/174160409.db2.gz DDNRTCUQYBRVNY-UONOGXRCSA-N 0 0 297.192 3.980 10 0 CHAERN Brc1ccc2c(c1)[C@H](O[C@@H]1CCCCO1)CC2 ZINC000038957842 174160570 /nfs/dbraw/zinc/16/05/70/174160570.db2.gz DDNRTCUQYBRVNY-ZIAGYGMSSA-N 0 0 297.192 3.980 10 0 CHAERN CCOC(=O)c1c(C)[nH]cc1Cc1ccc(CC)cc1 ZINC000040169492 174199695 /nfs/dbraw/zinc/19/96/95/174199695.db2.gz JLDIWTNNZUGPHN-UHFFFAOYSA-N 0 0 271.360 3.653 10 0 CHAERN COc1cccc(C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000040243852 174214245 /nfs/dbraw/zinc/21/42/45/174214245.db2.gz DCTQWPJAFSDLLD-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN CCOCCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040405099 174254161 /nfs/dbraw/zinc/25/41/61/174254161.db2.gz YCQVOMXBKPEMCM-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN CC(C)CNc1cc(NCC(C)C)nc(NCC(C)C)n1 ZINC000040430936 174260076 /nfs/dbraw/zinc/26/00/76/174260076.db2.gz HVZSNANIMUMCPH-UHFFFAOYSA-N 0 0 293.459 3.680 10 0 in-vivo CHAERN CCOc1cc(Cl)c([C@@H](O)CC)cc1OCC ZINC000040451696 174266169 /nfs/dbraw/zinc/26/61/69/174266169.db2.gz JNBOKKMDYVXORG-NSHDSACASA-N 0 0 258.745 3.581 10 0 CHAERN CCOc1sc(C2CCC2)nc1Br ZINC000040544459 174324118 /nfs/dbraw/zinc/32/41/18/174324118.db2.gz QPOBKSBEXQVQPU-UHFFFAOYSA-N 0 0 262.172 3.572 10 0 CHAERN Nc1c(Cl)ncnc1Oc1cccc2ccccc21 ZINC000040571632 174338301 /nfs/dbraw/zinc/33/83/01/174338301.db2.gz FKJUVAVOPCXLPV-UHFFFAOYSA-N 0 0 271.707 3.658 10 0 CHAERN Cc1c(Cl)cccc1Nc1ncnc(OC(C)C)c1N ZINC000040701624 174379221 /nfs/dbraw/zinc/37/92/21/174379221.db2.gz UEYDQPAMUGIVIV-UHFFFAOYSA-N 0 0 292.770 3.551 10 0 CHAERN CCCCNc1ncnc(Oc2ccc(C)c(C)c2)c1N ZINC000040706761 174379700 /nfs/dbraw/zinc/37/97/00/174379700.db2.gz IJOMFIIDNCDKGG-UHFFFAOYSA-N 0 0 286.379 3.680 10 0 CHAERN CC(C)Nc1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040705976 174379792 /nfs/dbraw/zinc/37/97/92/174379792.db2.gz CMMAZIQKEMIBLN-UHFFFAOYSA-N 0 0 285.395 3.746 10 0 CHAERN Cc1ccc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000041031801 174455489 /nfs/dbraw/zinc/45/54/89/174455489.db2.gz SIEDNLWDDABUQJ-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN CC1(C)Oc2ccc(N[C@H]3C[C@H]4CC[C@@H]3C4)cc2O1 ZINC000041092406 174477422 /nfs/dbraw/zinc/47/74/22/174477422.db2.gz ULUYUEXWKOSSEI-LOWVWBTDSA-N 0 0 259.349 3.794 10 0 CHAERN Cc1ccc(OCCNc2ccccc2F)cc1C ZINC000041344774 174527300 /nfs/dbraw/zinc/52/73/00/174527300.db2.gz KZNZMAIRSPLZQE-UHFFFAOYSA-N 0 0 259.324 3.933 10 0 CHAERN O=C(c1ccc(OC(F)F)cc1)c1cccc(F)c1 ZINC000041382942 174540356 /nfs/dbraw/zinc/54/03/56/174540356.db2.gz CACIBONWQLSYJH-UHFFFAOYSA-N 0 0 266.218 3.658 10 0 CHAERN CC1CCC(OC(=O)c2ccc(Cl)c(N)c2)CC1 ZINC000041580801 174571122 /nfs/dbraw/zinc/57/11/22/174571122.db2.gz SAFWPBOTZFRITO-UHFFFAOYSA-N 0 0 267.756 3.658 10 0 CHAERN Cc1ccc(N(Cc2cccs2)C2CC2)c(N)c1 ZINC000042515189 174766534 /nfs/dbraw/zinc/76/65/34/174766534.db2.gz UKLQSJBFVDGEFN-UHFFFAOYSA-N 0 0 258.390 3.808 10 0 CHAERN O[C@H](CNc1ccc(Cl)cc1F)c1cccs1 ZINC000042589831 174810882 /nfs/dbraw/zinc/81/08/82/174810882.db2.gz DFFJDMAQNDAAJK-LLVKDONJSA-N 0 0 271.744 3.686 10 0 CHAERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(Cl)cc1N ZINC000042602994 174817711 /nfs/dbraw/zinc/81/77/11/174817711.db2.gz ZIGIHVFDPFXLTN-ZWNOBZJWSA-N 0 0 252.789 3.937 10 0 CHAERN CCCCN(c1nc2sccn2c1C=O)[C@H](C)CC ZINC000042608159 174820901 /nfs/dbraw/zinc/82/09/01/174820901.db2.gz DWWRCDHCNQQZEA-LLVKDONJSA-N 0 0 279.409 3.613 10 0 CHAERN C[C@@H](N(C)c1ccc2scnc2c1N)C(C)(C)C ZINC000042739573 174861209 /nfs/dbraw/zinc/86/12/09/174861209.db2.gz HIEKDTLOQXRXQJ-SECBINFHSA-N 0 0 263.410 3.749 10 0 CHAERN C[C@@H](N(C)CC(=O)c1ccc(Cl)s1)C(C)(C)C ZINC000042773773 174872732 /nfs/dbraw/zinc/87/27/32/174872732.db2.gz ZOTZFJZQEXACOK-SECBINFHSA-N 0 0 273.829 3.951 10 0 CHAERN CC(C)CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042852247 174891983 /nfs/dbraw/zinc/89/19/83/174891983.db2.gz ZNFQIWGJBIHWKP-GHMZBOCLSA-N 0 0 265.319 3.660 10 0 CHAERN Cc1cc(N)n([C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000043664562 175086058 /nfs/dbraw/zinc/08/60/58/175086058.db2.gz KHXXJVVBYFBFHG-IKMFHRHGSA-N 0 0 259.397 3.551 10 0 CHAERN O=Cc1cccc(OCc2cc(Br)cs2)c1 ZINC000043687296 175095105 /nfs/dbraw/zinc/09/51/05/175095105.db2.gz LOZLDBQRZWIPFF-UHFFFAOYSA-N 0 0 297.173 3.902 10 0 CHAERN Clc1cc(-c2cscn2)nc(-c2ccccc2)n1 ZINC000044119253 175142066 /nfs/dbraw/zinc/14/20/66/175142066.db2.gz GLAFOZCEOSNEPJ-UHFFFAOYSA-N 0 0 273.748 3.921 10 0 CHAERN COc1ccccc1-c1coc(Br)c1 ZINC000044120933 175142744 /nfs/dbraw/zinc/14/27/44/175142744.db2.gz REDLFRRSGISUII-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN COc1cccc(-c2ncc(Br)s2)c1 ZINC000044120482 175142843 /nfs/dbraw/zinc/14/28/43/175142843.db2.gz SJJLNQHTBGGHCY-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN CC(=O)c1cccc(-c2ccc(Br)nc2)c1 ZINC000044121229 175142974 /nfs/dbraw/zinc/14/29/74/175142974.db2.gz WHGZPHUBIJHNSL-UHFFFAOYSA-N 0 0 276.133 3.714 10 0 CHAERN C[C@]1(c2ccccc2)COC(=O)N1c1ccccc1 ZINC000044563727 175207369 /nfs/dbraw/zinc/20/73/69/175207369.db2.gz SUDKKTYDGGNQIP-MRXNPFEDSA-N 0 0 253.301 3.559 10 0 CHAERN O=C(c1cc(Br)cs1)C1CCCC1 ZINC000070598609 175996170 /nfs/dbraw/zinc/99/61/70/175996170.db2.gz MSSUVGRHIPOOGJ-UHFFFAOYSA-N 0 0 259.168 3.884 10 0 CHAERN Fc1ccc(F)c(Oc2ccc(Br)cn2)c1 ZINC000070820080 176007538 /nfs/dbraw/zinc/00/75/38/176007538.db2.gz JKBHSRLXCIFAOV-UHFFFAOYSA-N 0 0 286.075 3.915 10 0 CHAERN Cc1c(C)c(Nc2ccc(F)cc2)nnc1Cl ZINC000071171074 176051490 /nfs/dbraw/zinc/05/14/90/176051490.db2.gz FFVFHSDGEVTFSF-UHFFFAOYSA-N 0 0 251.692 3.630 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H](Sc2ccncc2)C1 ZINC000071257498 176095958 /nfs/dbraw/zinc/09/59/58/176095958.db2.gz BBVBELIMIPQNDI-ZDUSSCGKSA-N 0 0 294.420 3.573 10 0 CHAERN Cc1cccnc1CN[C@@H](C)c1cc(F)ccc1F ZINC000071339339 176130073 /nfs/dbraw/zinc/13/00/73/176130073.db2.gz MBQMCBMEYFLQOH-NSHDSACASA-N 0 0 262.303 3.519 10 0 CHAERN Cc1nc(-c2ccccc2Br)oc1C ZINC000071494500 176191594 /nfs/dbraw/zinc/19/15/94/176191594.db2.gz HRBNUDRRGSYZCY-UHFFFAOYSA-N 0 0 252.111 3.721 10 0 CHAERN Clc1ccc(-n2nccc2-c2ccncc2)cc1 ZINC000072190553 176336208 /nfs/dbraw/zinc/33/62/08/176336208.db2.gz FHOUWZJIBYZPDK-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN N[C@@H](c1ccc2c3c(cccc31)CC2)C(F)(F)F ZINC000072190833 176336248 /nfs/dbraw/zinc/33/62/48/176336248.db2.gz ADNMKLPFFALVAL-ZDUSSCGKSA-N 0 0 251.251 3.501 10 0 CHAERN CC(C)c1cc(Br)cc(Br)n1 ZINC000072193435 176336549 /nfs/dbraw/zinc/33/65/49/176336549.db2.gz POQIRTGOHWOSIG-UHFFFAOYSA-N 0 0 278.975 3.730 10 0 CHAERN Fc1cc(F)cc(-c2scnc2Br)c1 ZINC000072192337 176336674 /nfs/dbraw/zinc/33/66/74/176336674.db2.gz ANYXMTQIRMWCKY-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN Cc1ccc(-c2scnc2Br)cc1 ZINC000072192325 176336693 /nfs/dbraw/zinc/33/66/93/176336693.db2.gz CKHOVMCRHWUPMZ-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN N[C@H](c1ccc(Cl)cc1Br)C(F)(F)F ZINC000072195867 176338097 /nfs/dbraw/zinc/33/80/97/176338097.db2.gz SSLSGQDVMYQGNJ-SSDOTTSWSA-N 0 0 288.494 3.665 10 0 CHAERN C[C@@H]1CNc2cc(F)c(F)cc2CN1C(=O)OC(C)(C)C ZINC000072266550 176352186 /nfs/dbraw/zinc/35/21/86/176352186.db2.gz QGYZYIMGYFCCOK-SECBINFHSA-N 0 0 298.333 3.516 10 0 CHAERN Cc1cccc2c1CN(C(=O)OC(C)(C)C)[C@@H](C)CN2 ZINC000072266558 176352688 /nfs/dbraw/zinc/35/26/88/176352688.db2.gz IWNBBUBIFSJTLY-LBPRGKRZSA-N 0 0 276.380 3.546 10 0 CHAERN Cc1cccc(C)c1OCc1nc2c(cccc2N)o1 ZINC000074413060 176543025 /nfs/dbraw/zinc/54/30/25/176543025.db2.gz KXHIKYWVBNJOCL-UHFFFAOYSA-N 0 0 268.316 3.606 10 0 CHAERN Nc1onc(-c2cccc(Cl)c2)c1-c1ccccn1 ZINC000076412784 177021124 /nfs/dbraw/zinc/02/11/24/177021124.db2.gz QLJJBORYHJKUTN-UHFFFAOYSA-N 0 0 271.707 3.639 10 0 CHAERN Nc1ccc(NC(=O)CCC2CCCCC2)cc1F ZINC000076855424 177122163 /nfs/dbraw/zinc/12/21/63/177122163.db2.gz IPEAOJSCTBSRBJ-UHFFFAOYSA-N 0 0 264.344 3.707 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)C3(C)CCCC3)C2)n1 ZINC000336336849 226903392 /nfs/dbraw/zinc/90/33/92/226903392.db2.gz CTVKDVZKDWVYCG-CYBMUJFWSA-N 0 0 292.448 3.738 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000171911522 335084654 /nfs/dbraw/zinc/08/46/54/335084654.db2.gz JWTQXZIAPVNQCA-GHMZBOCLSA-N 0 0 298.224 3.918 10 0 CHAERN C[C@H]1C[C@H](c2noc(C[C@@H]3CCCC(=O)N3)n2)C[C@@H](C)C1 ZINC000329561527 227603492 /nfs/dbraw/zinc/60/34/92/227603492.db2.gz GETWGAPVCMRDTL-LOWDOPEQSA-N 0 0 291.395 3.661 10 0 CHAERN Cc1cc(N[C@@H](CO)CC(C)C)c2cccc(F)c2n1 ZINC000301687623 227641744 /nfs/dbraw/zinc/64/17/44/227641744.db2.gz VEMCVENZKLGBQT-GFCCVEGCSA-N 0 0 276.355 3.501 10 0 CHAERN CO[C@@H]1CCC[C@H](Nc2ncnc3c4ccccc4oc32)C1 ZINC000301776831 227674065 /nfs/dbraw/zinc/67/40/65/227674065.db2.gz LPSVDWNIPKRCCK-NWDGAFQWSA-N 0 0 297.358 3.746 10 0 CHAERN Fc1cccc2c1ncnc2N1CC[C@H]2CCCC[C@@H]21 ZINC000302631596 227871027 /nfs/dbraw/zinc/87/10/27/227871027.db2.gz CDTNAEGYMIOSOP-RISCZKNCSA-N 0 0 271.339 3.538 10 0 CHAERN O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCN2 ZINC000037323139 260088014 /nfs/dbraw/zinc/08/80/14/260088014.db2.gz GDFVLCLKEUHCKG-UHFFFAOYSA-N 0 0 272.735 3.560 10 0 CHAERN CC[C@@H](Nc1cc(Br)ccn1)C(C)C ZINC000306333122 260121386 /nfs/dbraw/zinc/12/13/86/260121386.db2.gz DWMOTBAOBCOCPU-SNVBAGLBSA-N 0 0 257.175 3.691 10 0 CHAERN C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(Br)c1 ZINC000230041700 260144532 /nfs/dbraw/zinc/14/45/32/260144532.db2.gz DPQWLCJMDRQSNY-BXKDBHETSA-N 0 0 282.181 3.824 10 0 CHAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cnccc1C ZINC000071412939 260162426 /nfs/dbraw/zinc/16/24/26/260162426.db2.gz IEHHFKZLSIUSLE-INIZCTEOSA-N 0 0 268.360 3.888 10 0 CHAERN Cn1c2ccccc2nc1N[C@@H]1CCOc2ccccc21 ZINC000079046746 260174282 /nfs/dbraw/zinc/17/42/82/260174282.db2.gz LBZJZQQNQMENCV-CYBMUJFWSA-N 0 0 279.343 3.509 10 0 CHAERN Cc1cc(N[C@@H](C)c2ccc(C)c(F)c2)nc(C)n1 ZINC000088521476 260233078 /nfs/dbraw/zinc/23/30/78/260233078.db2.gz ILBDZYVKUYNMSO-NSHDSACASA-N 0 0 259.328 3.714 10 0 CHAERN CC1CCC(CNc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC000089575991 260237607 /nfs/dbraw/zinc/23/76/07/260237607.db2.gz YWOBIQFGXPNDED-UHFFFAOYSA-N 0 0 288.435 3.556 10 0 CHAERN CC1CCC(CNc2ccc(Cn3cncn3)cc2)CC1 ZINC000089575757 260237813 /nfs/dbraw/zinc/23/78/13/260237813.db2.gz CIIGPHLUGIRXQB-UHFFFAOYSA-N 0 0 284.407 3.565 10 0 CHAERN CCn1cccc1CNc1cc(OC)c(Cl)cc1OC ZINC000091022270 260264804 /nfs/dbraw/zinc/26/48/04/260264804.db2.gz HJVJNGNHYUFYGF-UHFFFAOYSA-N 0 0 294.782 3.791 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(N)c1 ZINC000091477325 260265942 /nfs/dbraw/zinc/26/59/42/260265942.db2.gz UXGABLXUHUVBQJ-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN C[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)C[C@H](C)C1 ZINC000093278234 260274348 /nfs/dbraw/zinc/27/43/48/260274348.db2.gz CCMMANBIJLMAOY-QWHCGFSZSA-N 0 0 292.427 3.538 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ncccc1C)[C@@H](C)C2 ZINC000181331520 260579950 /nfs/dbraw/zinc/57/99/50/260579950.db2.gz QDBPHKXTGDHYME-XJKSGUPXSA-N 0 0 295.386 3.753 10 0 CHAERN Cc1ccc(OCc2csc(C(C)(C)C)n2)cn1 ZINC000101540948 260958946 /nfs/dbraw/zinc/95/89/46/260958946.db2.gz OCRPMAQQNBKTIS-UHFFFAOYSA-N 0 0 262.378 3.723 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1cccc(-c2ncco2)c1 ZINC000152187048 261061141 /nfs/dbraw/zinc/06/11/41/261061141.db2.gz FHWXMENRBYKZSQ-NSHDSACASA-N 0 0 273.336 3.508 10 0 CHAERN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)COC)o1 ZINC000155031288 261097113 /nfs/dbraw/zinc/09/71/13/261097113.db2.gz HVIKJNGQAGIGQY-ZFWWWQNUSA-N 0 0 293.407 3.568 10 0 CHAERN Cc1ccccc1[C@H](C)NCc1nc(-c2ccsc2)no1 ZINC000155886375 261109213 /nfs/dbraw/zinc/10/92/13/261109213.db2.gz GXYHPLAFXVFBEN-LBPRGKRZSA-N 0 0 299.399 3.957 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)o1 ZINC000156108131 261113856 /nfs/dbraw/zinc/11/38/56/261113856.db2.gz IXFVYKFVHWRTEZ-WCQYABFASA-N 0 0 289.350 3.783 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000174060810 261176892 /nfs/dbraw/zinc/17/68/92/261176892.db2.gz PTBIWEOQDDTOSG-QMMMGPOBSA-N 0 0 290.285 3.593 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000174325213 261182378 /nfs/dbraw/zinc/18/23/78/261182378.db2.gz QVFPCCYIZUDHDH-SNVBAGLBSA-N 0 0 288.313 3.957 10 0 CHAERN CCc1nc(Cl)c(C)c(N[C@H](C)c2cccc(O)c2)n1 ZINC000175041826 261207565 /nfs/dbraw/zinc/20/75/65/261207565.db2.gz ZEYQPFMTBIJWOO-SNVBAGLBSA-N 0 0 291.782 3.880 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000175327722 261219912 /nfs/dbraw/zinc/21/99/12/261219912.db2.gz NEBVIHWGGCBTSV-OFQRWUPVSA-N 0 0 274.408 3.619 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000175792576 261246812 /nfs/dbraw/zinc/24/68/12/261246812.db2.gz TVUPOBIIPFMPFZ-MRVPVSSYSA-N 0 0 280.730 3.607 10 0 CHAERN COc1ccccc1NC(=O)c1sccc1OC(F)F ZINC000105362075 261309525 /nfs/dbraw/zinc/30/95/25/261309525.db2.gz KONLNXMMGQODKW-UHFFFAOYSA-N 0 0 299.298 3.610 10 0 CHAERN CC(C)Oc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606692 261311227 /nfs/dbraw/zinc/31/12/27/261311227.db2.gz FRFCZZLVXWIESC-UHFFFAOYSA-N 0 0 299.330 3.729 10 0 CHAERN Cc1ccc(NCc2nc(-c3ccoc3)no2)c(Cl)c1 ZINC000105606196 261313353 /nfs/dbraw/zinc/31/33/53/261313353.db2.gz YPAIENPZEYKKOV-UHFFFAOYSA-N 0 0 289.722 3.904 10 0 CHAERN Fc1cc(Cl)ccc1NCc1nc(-c2ccoc2)no1 ZINC000105606225 261313375 /nfs/dbraw/zinc/31/33/75/261313375.db2.gz RQGUKVOJJGGKGC-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN C[C@H](NC(=O)C(C)(C)c1cccs1)c1cccs1 ZINC000172050642 261491336 /nfs/dbraw/zinc/49/13/36/261491336.db2.gz AXUDWWVXYNJBMW-JTQLQIEISA-N 0 0 279.430 3.965 10 0 CHAERN O=C(NC1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176365552 261650804 /nfs/dbraw/zinc/65/08/04/261650804.db2.gz KBOZWWMCYPTAKM-CYBMUJFWSA-N 0 0 293.436 3.712 10 0 CHAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc2ccccc2c1 ZINC000176685266 261664572 /nfs/dbraw/zinc/66/45/72/261664572.db2.gz LJMMRMZKRLQYRX-DYVFJYSZSA-N 0 0 292.386 3.617 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)NCc2cccnc2)c2ccccc21 ZINC000178938198 261762388 /nfs/dbraw/zinc/76/23/88/261762388.db2.gz HJMFQVJQSAJSCP-CXAGYDPISA-N 0 0 295.386 3.519 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)NCc2ccncc2)c2ccccc21 ZINC000178939078 261762414 /nfs/dbraw/zinc/76/24/14/261762414.db2.gz ZEKSCWQMEXCIAR-CXAGYDPISA-N 0 0 295.386 3.519 10 0 CHAERN Cc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000180586460 261866686 /nfs/dbraw/zinc/86/66/86/261866686.db2.gz PVXYMPNNMHLUKW-MRXNPFEDSA-N 0 0 298.390 3.786 10 0 CHAERN Cc1ccc(CCn2c3ccccc3nc2[C@@H](C)O)cc1 ZINC000181502481 261899943 /nfs/dbraw/zinc/89/99/43/261899943.db2.gz XIKHNKYHMLRFJE-CQSZACIVSA-N 0 0 280.371 3.641 10 0 CHAERN COCc1cnc(NCc2ccsc2Cl)s1 ZINC000309875450 262043372 /nfs/dbraw/zinc/04/33/72/262043372.db2.gz SLOHWQFNIZEVEM-UHFFFAOYSA-N 0 0 274.798 3.617 10 0 CHAERN C[C@H](COCc1ccccc1)N=c1[nH]c2ccccc2s1 ZINC000390695225 262241805 /nfs/dbraw/zinc/24/18/05/262241805.db2.gz FFBKKHNVJSJTIV-CYBMUJFWSA-N 0 0 298.411 3.735 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1cc(F)cc(F)c1 ZINC000054107619 262253898 /nfs/dbraw/zinc/25/38/98/262253898.db2.gz KNWRRUOZYOXWGR-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN COc1ccc(F)c(N[C@H]2CCCc3occc32)c1 ZINC000124083062 262530895 /nfs/dbraw/zinc/53/08/95/262530895.db2.gz DPKGRYVURIIGLX-ZDUSSCGKSA-N 0 0 261.296 3.917 10 0 CHAERN Clc1cnccc1N[C@H]1CCOc2ccccc21 ZINC000094266935 265233435 /nfs/dbraw/zinc/23/34/35/265233435.db2.gz HMWKYBTVPGPSMA-LBPRGKRZSA-N 0 0 260.724 3.671 10 0 CHAERN COc1ccc(F)c(N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000094854528 265261353 /nfs/dbraw/zinc/26/13/53/265261353.db2.gz CSFJMOXATBACBJ-ZDUSSCGKSA-N 0 0 267.344 3.592 10 0 CHAERN CCC(C)(C)CNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000192287628 265897868 /nfs/dbraw/zinc/89/78/68/265897868.db2.gz IVCFMGJEWSXDLK-QWRGUYRKSA-N 0 0 294.361 3.843 10 0 CHAERN CCCCCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114818470 266685767 /nfs/dbraw/zinc/68/57/67/266685767.db2.gz PUIFTZKPASEDCR-ZDUSSCGKSA-N 0 0 295.452 3.612 10 0 CHAERN O=C(CC1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000116049278 267121007 /nfs/dbraw/zinc/12/10/07/267121007.db2.gz VCOIPMVXELVQRP-AWEZNQCLSA-N 0 0 261.365 3.914 10 0 CHAERN Cc1ccccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116043786 267121256 /nfs/dbraw/zinc/12/12/56/267121256.db2.gz ZYALIMMSAGTWJL-AWEZNQCLSA-N 0 0 255.317 3.565 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116413381 267151816 /nfs/dbraw/zinc/15/18/16/267151816.db2.gz CCYAUHQELDTCJK-UKRRQHHQSA-N 0 0 284.359 3.887 10 0 CHAERN CCC[C@@H](CC)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116425379 267151979 /nfs/dbraw/zinc/15/19/79/267151979.db2.gz HWGMAGXHRCBYEA-CHWSQXEVSA-N 0 0 264.369 3.705 10 0 CHAERN CCCN(C(=O)N[C@@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000119190313 267306195 /nfs/dbraw/zinc/30/61/95/267306195.db2.gz XXLMNYTYJISCIB-MRXNPFEDSA-N 0 0 290.382 3.787 10 0 CHAERN CCN(C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)C(C)C ZINC000171117604 327751842 /nfs/dbraw/zinc/75/18/42/327751842.db2.gz BLLXCGMHSGUBSU-SNVBAGLBSA-N 0 0 286.778 3.980 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000184848613 327833979 /nfs/dbraw/zinc/83/39/79/327833979.db2.gz HMPJKMYHTYXMGL-MFKMUULPSA-N 0 0 285.309 3.553 10 0 CHAERN CC[C@@H](C)Oc1cccc(NCc2ccnc(C)n2)c1 ZINC000054790916 327904522 /nfs/dbraw/zinc/90/45/22/327904522.db2.gz FGNQSXAAUWNZSJ-GFCCVEGCSA-N 0 0 271.364 3.574 10 0 CHAERN CCCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000048922930 328325975 /nfs/dbraw/zinc/32/59/75/328325975.db2.gz GTYWWCDWNBSJIL-VIFPVBQESA-N 0 0 272.751 3.639 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCSCC2)cc1 ZINC000049788274 328379406 /nfs/dbraw/zinc/37/94/06/328379406.db2.gz RGKHLKJWLNRFAX-ZDUSSCGKSA-N 0 0 292.448 3.629 10 0 CHAERN O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109082133 326824023 /nfs/dbraw/zinc/82/40/23/326824023.db2.gz XQGVTIMAVOBEFS-OLZOCXBDSA-N 0 0 291.272 3.846 10 0 CHAERN CN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109094953 326824440 /nfs/dbraw/zinc/82/44/40/326824440.db2.gz QXJUULDUASQXPR-UONOGXRCSA-N 0 0 293.357 3.717 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000037086639 326835954 /nfs/dbraw/zinc/83/59/54/326835954.db2.gz QQAMDEOZPSJFSZ-LBPRGKRZSA-N 0 0 286.350 3.667 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cccc(-n3nnnc3C)c2)s1 ZINC000037105768 326836760 /nfs/dbraw/zinc/83/67/60/326836760.db2.gz FJTOGIYMOQDFQF-LLVKDONJSA-N 0 0 299.403 3.514 10 0 CHAERN c1ccc2nc(CN3CCNc4ccccc43)ccc2c1 ZINC000037563278 326855534 /nfs/dbraw/zinc/85/55/34/326855534.db2.gz YRHUIUNDXXALLG-UHFFFAOYSA-N 0 0 275.355 3.667 10 0 CHAERN CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000047645659 326863397 /nfs/dbraw/zinc/86/33/97/326863397.db2.gz CTTWXHKYVVKSPB-HIFRSBDPSA-N 0 0 290.407 3.634 10 0 CHAERN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2)CCS1 ZINC000171567271 327547109 /nfs/dbraw/zinc/54/71/09/327547109.db2.gz HIAWDHHYQKJRLS-LLVKDONJSA-N 0 0 297.851 3.582 10 0 CHAERN CC1(C)CC[C@@](O)(c2ccccc2Br)C1 ZINC000521400958 328674322 /nfs/dbraw/zinc/67/43/22/328674322.db2.gz DDKACVGHMKQCBV-ZDUSSCGKSA-N 0 0 269.182 3.847 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000054186808 328689349 /nfs/dbraw/zinc/68/93/49/328689349.db2.gz BLPOEQIAHSQWKL-SKDRFNHKSA-N 0 0 259.271 3.685 10 0 CHAERN CCn1cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cn1 ZINC000043644769 328809150 /nfs/dbraw/zinc/80/91/50/328809150.db2.gz TZTHGWSFBJBYCA-MRVPVSSYSA-N 0 0 298.799 3.501 10 0 CHAERN C[C@@H]1CC[C@@H](C)N(c2nn3cc(C(C)(C)C)nc3s2)C1 ZINC000301421104 328827844 /nfs/dbraw/zinc/82/78/44/328827844.db2.gz DWSGQQNSEWVFNM-GHMZBOCLSA-N 0 0 292.452 3.713 10 0 CHAERN COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116039781 328933745 /nfs/dbraw/zinc/93/37/45/328933745.db2.gz MSDQEEUFWFRJNX-HNNXBMFYSA-N 0 0 299.370 3.585 10 0 CHAERN CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042491 328933940 /nfs/dbraw/zinc/93/39/40/328933940.db2.gz JKERVUWXHLCXLM-CABCVRRESA-N 0 0 291.391 3.681 10 0 CHAERN CC(=O)c1csc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116042603 328933964 /nfs/dbraw/zinc/93/39/64/328933964.db2.gz KLONLNFRCISRIJ-GFCCVEGCSA-N 0 0 289.356 3.521 10 0 CHAERN C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041260 328933983 /nfs/dbraw/zinc/93/39/83/328933983.db2.gz ZUNHBJYVVWTIIN-ZBFHGGJFSA-N 0 0 283.371 3.822 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c(O)c1 ZINC000117721070 328942862 /nfs/dbraw/zinc/94/28/62/328942862.db2.gz IHVOVRUINYMNKT-UHFFFAOYSA-N 0 0 299.395 3.692 10 0 CHAERN CCC[C@@H]1C[C@@H]1Nc1cc(Cl)nc(C2CC2)n1 ZINC000218053022 329066980 /nfs/dbraw/zinc/06/69/80/329066980.db2.gz FLTGKNGYWDWMPR-ZJUUUORDSA-N 0 0 251.761 3.608 10 0 CHAERN CC(C)c1nccc(N[C@@H](C)COCc2ccccc2)n1 ZINC000172780500 329138803 /nfs/dbraw/zinc/13/88/03/329138803.db2.gz XXNSYSGPPMYARU-AWEZNQCLSA-N 0 0 285.391 3.617 10 0 CHAERN C/C=C/C[S@@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000172834636 329139187 /nfs/dbraw/zinc/13/91/87/329139187.db2.gz RCHSELDGMIEFGX-LSTKMXGYSA-N 0 0 295.791 3.820 10 0 CHAERN CCC[C@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173407185 329146643 /nfs/dbraw/zinc/14/66/43/329146643.db2.gz SDFAZGHKMQUQII-AAEUAGOBSA-N 0 0 280.437 3.594 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)CCC(C)C)C2)n1 ZINC000173428238 329146923 /nfs/dbraw/zinc/14/69/23/329146923.db2.gz VFFIHNQEMGXTOR-ZDUSSCGKSA-N 0 0 280.437 3.594 10 0 CHAERN CCc1cnc(NC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000173473751 329147176 /nfs/dbraw/zinc/14/71/76/329147176.db2.gz CLVPTGPAHVTFKP-LLVKDONJSA-N 0 0 291.376 3.668 10 0 CHAERN CC(C)CCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174081585 329154077 /nfs/dbraw/zinc/15/40/77/329154077.db2.gz MRGNJXQHIDHOAI-UHFFFAOYSA-N 0 0 292.398 3.665 10 0 CHAERN Cc1cc(C)c(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000175241637 329166848 /nfs/dbraw/zinc/16/68/48/329166848.db2.gz GGEFEJJBJALMLA-HNNXBMFYSA-N 0 0 269.344 3.704 10 0 CHAERN CSc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1Cl ZINC000176114491 329173828 /nfs/dbraw/zinc/17/38/28/329173828.db2.gz RCKSXXCRKMSMDH-XCBNKYQSSA-N 0 0 270.785 3.592 10 0 CHAERN CC(=O)c1cccc(NCc2nc3ccccc3nc2C)c1 ZINC000176266724 329176256 /nfs/dbraw/zinc/17/62/56/329176256.db2.gz VOYROSYQJWQUHZ-UHFFFAOYSA-N 0 0 291.354 3.753 10 0 CHAERN Cc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1Cl ZINC000179016314 329203740 /nfs/dbraw/zinc/20/37/40/329203740.db2.gz DVDHARCVUMAEOO-CYBMUJFWSA-N 0 0 287.746 3.512 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccccc2Br)o1 ZINC000220925479 329204068 /nfs/dbraw/zinc/20/40/68/329204068.db2.gz HHZSJNFMIGGLLN-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN COC[C@H](Nc1cc(-c2nc(C)co2)ccc1C)C1CC1 ZINC000180036551 329214814 /nfs/dbraw/zinc/21/48/14/329214814.db2.gz MYAQWDIDRCOFNE-INIZCTEOSA-N 0 0 286.375 3.795 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)c2cccnc2)CC(C)(C)C1 ZINC000180469540 329217610 /nfs/dbraw/zinc/21/76/10/329217610.db2.gz VBFLNFXCXKKEDM-QWHCGFSZSA-N 0 0 260.381 3.507 10 0 CHAERN COc1c(C)cc(C(=O)N2CCC[C@@H]2c2ccco2)cc1C ZINC000180183551 329218153 /nfs/dbraw/zinc/21/81/53/329218153.db2.gz RLBAZRJQPYPAQT-OAHLLOKOSA-N 0 0 299.370 3.882 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC23CCCCC3)o1 ZINC000180284578 329219300 /nfs/dbraw/zinc/21/93/00/329219300.db2.gz PRCJGYUUMBJFBA-TZMCWYRMSA-N 0 0 276.380 3.671 10 0 CHAERN CCc1ccccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180609255 329221272 /nfs/dbraw/zinc/22/12/72/329221272.db2.gz IOPCSHXQIJLUJP-MRXNPFEDSA-N 0 0 298.390 3.731 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2cnn(CC(F)F)c2)CC(C)(C)C1 ZINC000180610860 329221378 /nfs/dbraw/zinc/22/13/78/329221378.db2.gz WFOUJBHTVVPMHA-QWRGUYRKSA-N 0 0 299.365 3.549 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC[C@@H](C)OC)o1 ZINC000181541278 329234144 /nfs/dbraw/zinc/23/41/44/329234144.db2.gz UNLSDKGNXOZHOJ-UKRRQHHQSA-N 0 0 293.407 3.711 10 0 CHAERN Cc1ccc(-c2n[nH]cc2CNc2ccc(F)cn2)cc1 ZINC000181574106 329234778 /nfs/dbraw/zinc/23/47/78/329234778.db2.gz OIPXCWJDNRQBTL-UHFFFAOYSA-N 0 0 282.322 3.531 10 0 CHAERN Cc1occc1C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182186686 329240571 /nfs/dbraw/zinc/24/05/71/329240571.db2.gz NJUGVBSVYJVCMG-MEDUHNTESA-N 0 0 269.344 3.560 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C3CC3)on1)[C@@H](C)C2 ZINC000182217656 329241154 /nfs/dbraw/zinc/24/11/54/329241154.db2.gz HNCCITMLEKKZHF-APPDUMDISA-N 0 0 296.370 3.524 10 0 CHAERN Cc1nscc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000182300059 329241585 /nfs/dbraw/zinc/24/15/85/329241585.db2.gz YPUSQSOIFULXRC-ZUZCIYMTSA-N 0 0 286.400 3.820 10 0 CHAERN CC(C)c1cnc(CN2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000183076438 329247045 /nfs/dbraw/zinc/24/70/45/329247045.db2.gz QRAGJTSZTHNWHS-ZDUSSCGKSA-N 0 0 290.436 3.717 10 0 CHAERN O[C@@H]1CCOc2c(NC3CCCCCC3)cccc21 ZINC000184069284 329255558 /nfs/dbraw/zinc/25/55/58/329255558.db2.gz RLBBSQCQYGJXMU-OAHLLOKOSA-N 0 0 261.365 3.637 10 0 CHAERN C[C@H](CCc1ccco1)Nc1cccc2c1OCC[C@H]2O ZINC000184567711 329259897 /nfs/dbraw/zinc/25/98/97/329259897.db2.gz GSAULQRYVOJBFJ-MLGOLLRUSA-N 0 0 287.359 3.529 10 0 CHAERN CCC[C@H]([NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-] ZINC000226560663 329261222 /nfs/dbraw/zinc/26/12/22/329261222.db2.gz WGKKHLQLJQEYBD-RDBSUJKOSA-N 0 0 269.429 3.824 10 0 CHAERN Cc1c(Br)scc1C(=O)N[C@@H](C)C(C)C ZINC000184890187 329263809 /nfs/dbraw/zinc/26/38/09/329263809.db2.gz VGNNUSPFYUBXMT-QMMMGPOBSA-N 0 0 290.226 3.593 10 0 CHAERN c1ccc(-c2cnc(C[NH2+]C[C@H]3CC=CCC3)nc2)cc1 ZINC000185876267 329334127 /nfs/dbraw/zinc/33/41/27/329334127.db2.gz FOKSSLKKTNNOLR-HNNXBMFYSA-N 0 0 279.387 3.590 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186539491 329345193 /nfs/dbraw/zinc/34/51/93/329345193.db2.gz ZEFCUZJOKXHGTA-RISCZKNCSA-N 0 0 273.380 3.655 10 0 CHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186887931 329351009 /nfs/dbraw/zinc/35/10/09/329351009.db2.gz NIZQIXLBUARDCC-LBPRGKRZSA-N 0 0 292.448 3.826 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)cs1 ZINC000187039851 329351676 /nfs/dbraw/zinc/35/16/76/329351676.db2.gz MYXRNOJWHCQKPX-GWCFXTLKSA-N 0 0 295.452 3.733 10 0 CHAERN CC(C(=O)N[C@H]1CCOc2c(C)cccc21)=C1CCCC1 ZINC000188109896 329364677 /nfs/dbraw/zinc/36/46/77/329364677.db2.gz RCKAZFJBLRVHAE-INIZCTEOSA-N 0 0 285.387 3.825 10 0 CHAERN Cc1nc(CC(C)C)oc1C(=O)N[C@@H](C)c1cccs1 ZINC000188344563 329366371 /nfs/dbraw/zinc/36/63/71/329366371.db2.gz LSOIHXFSPVPOHH-JTQLQIEISA-N 0 0 292.404 3.734 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)c2cccnc2c1C ZINC000188405281 329368527 /nfs/dbraw/zinc/36/85/27/329368527.db2.gz BPVMYEUKDDQQLJ-KBPBESRZSA-N 0 0 298.386 3.605 10 0 CHAERN CSc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1Cl ZINC000188754178 329373041 /nfs/dbraw/zinc/37/30/41/329373041.db2.gz DSGROSLNOIXJLT-ONGXEEELSA-N 0 0 299.823 3.816 10 0 CHAERN Cc1ccn(C)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000189101771 329377906 /nfs/dbraw/zinc/37/79/06/329377906.db2.gz JXWLJNOJCMHAIF-SNVBAGLBSA-N 0 0 294.757 3.617 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000189648531 329385156 /nfs/dbraw/zinc/38/51/56/329385156.db2.gz MTLFGUPNUPVHTQ-WFASDCNBSA-N 0 0 290.407 3.503 10 0 CHAERN CCC[C@H](C)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189859116 329389795 /nfs/dbraw/zinc/38/97/95/329389795.db2.gz JOCREEIKRYZJNY-AWEZNQCLSA-N 0 0 287.403 3.518 10 0 CHAERN CCC(C)(C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190359966 329395420 /nfs/dbraw/zinc/39/54/20/329395420.db2.gz UHPXCANDSFCUEC-QWRGUYRKSA-N 0 0 266.385 3.676 10 0 CHAERN O=C(CCCc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116046116 329544389 /nfs/dbraw/zinc/54/43/89/329544389.db2.gz NIETZRIMZQHQCW-MRXNPFEDSA-N 0 0 283.371 3.966 10 0 CHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccco1 ZINC000116048219 329544755 /nfs/dbraw/zinc/54/47/55/329544755.db2.gz MYJWKOJWAOYUOB-INIZCTEOSA-N 0 0 294.354 3.667 10 0 CHAERN CCC(CC)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116430065 329545000 /nfs/dbraw/zinc/54/50/00/329545000.db2.gz FZIOXDHPVLKBTP-CYBMUJFWSA-N 0 0 264.369 3.562 10 0 CHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000117750628 329546365 /nfs/dbraw/zinc/54/63/65/329546365.db2.gz CKMUGOIDYQZACC-DIFFPNOSSA-N 0 0 292.338 3.671 10 0 CHAERN CCC[C@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117723866 329546423 /nfs/dbraw/zinc/54/64/23/329546423.db2.gz OCSPRLVCCJSBID-LBPRGKRZSA-N 0 0 263.406 3.800 10 0 CHAERN COc1cc(F)ccc1NC(=O)N[C@H](C)c1cccs1 ZINC000044236500 329590872 /nfs/dbraw/zinc/59/08/72/329590872.db2.gz YTNKUJBWYHVRDZ-SECBINFHSA-N 0 0 294.351 3.779 10 0 CHAERN Cc1cc([C@@H](C)NC(=O)N[C@H](C)C(C)C)c(C)s1 ZINC000047685402 329620234 /nfs/dbraw/zinc/62/02/34/329620234.db2.gz BFMIKRSPJXWMTI-GHMZBOCLSA-N 0 0 268.426 3.770 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)O1 ZINC000132895778 329649497 /nfs/dbraw/zinc/64/94/97/329649497.db2.gz ASDJNAHROXEGHA-LRDDRELGSA-N 0 0 289.375 3.514 10 0 CHAERN Cc1ccc([C@@H]2CN(C(=O)C(C)(C)CC(C)C)CCO2)o1 ZINC000133986941 329656425 /nfs/dbraw/zinc/65/64/25/329656425.db2.gz LGDZXNPTGLYTTM-HNNXBMFYSA-N 0 0 293.407 3.560 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCOc2cccc(C)c2)o1 ZINC000057465082 329677696 /nfs/dbraw/zinc/67/76/96/329677696.db2.gz JDONFGLPUQGTHJ-AWEZNQCLSA-N 0 0 287.359 3.543 10 0 CHAERN Cn1c(CNc2ccc(C(C)(C)C)cc2)nnc1C1CC1 ZINC000194989885 329689845 /nfs/dbraw/zinc/68/98/45/329689845.db2.gz NIAJKEWMBBZCRG-UHFFFAOYSA-N 0 0 284.407 3.602 10 0 CHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC=C(c2ccc(F)cc2)CC1 ZINC000245467521 329699533 /nfs/dbraw/zinc/69/95/33/329699533.db2.gz SGDCUWBIJHRLNM-PIIMJCKOSA-N 0 0 299.389 3.878 10 0 CHAERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H](C)C(C)C ZINC000069260397 329854162 /nfs/dbraw/zinc/85/41/62/329854162.db2.gz OSNQZGYHSLCFAV-ZFWWWQNUSA-N 0 0 290.407 3.586 10 0 CHAERN CCC[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000246708028 329869475 /nfs/dbraw/zinc/86/94/75/329869475.db2.gz SILDDEFYRLTSNQ-LZWOXQAQSA-N 0 0 289.419 3.836 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C(C)C)o1 ZINC000249285781 329903009 /nfs/dbraw/zinc/90/30/09/329903009.db2.gz IKSZJODXWWYZLX-ZNMIVQPWSA-N 0 0 275.392 3.934 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000249627534 329908487 /nfs/dbraw/zinc/90/84/87/329908487.db2.gz QKUFXZNPKWKCTL-YCPHGPKFSA-N 0 0 287.403 3.732 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)C(C)C)C2)cc1 ZINC000078186371 329947283 /nfs/dbraw/zinc/94/72/83/329947283.db2.gz BUNXIYMHOALIFI-IJEWVQPXSA-N 0 0 289.419 3.692 10 0 CHAERN Cc1ccc(N)cc1C(=O)N[C@@H](C)[C@H](C)C1CCCCC1 ZINC000262427541 330009998 /nfs/dbraw/zinc/00/99/98/330009998.db2.gz VZRNTKRFXSJVFN-KBPBESRZSA-N 0 0 288.435 3.912 10 0 CHAERN CCC(CC)(C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C)C(=O)[O-] ZINC000263058617 330041262 /nfs/dbraw/zinc/04/12/62/330041262.db2.gz MDHBVJGLNPISBM-XJKSGUPXSA-N 0 0 289.419 3.709 10 0 CHAERN CCC1CCC(NC(=O)Nc2ccnn2C(C)C)CC1 ZINC000079640741 330050925 /nfs/dbraw/zinc/05/09/25/330050925.db2.gz WWZJYNRUEXESCA-UHFFFAOYSA-N 0 0 278.400 3.554 10 0 CHAERN Nc1ccccc1-c1nc(Cc2ccccc2Cl)no1 ZINC000044265608 330327162 /nfs/dbraw/zinc/32/71/62/330327162.db2.gz DGYJBWCTRUOLCS-UHFFFAOYSA-N 0 0 285.734 3.563 10 0 CHAERN Clc1ccccc1Cc1noc(CNc2ccccc2)n1 ZINC000044265687 330327171 /nfs/dbraw/zinc/32/71/71/330327171.db2.gz ZGMSPECUMSUUEP-UHFFFAOYSA-N 0 0 299.761 3.926 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc3ccccc3cc2O)o1 ZINC000105581388 330327392 /nfs/dbraw/zinc/32/73/92/330327392.db2.gz JSBRBOWSKINAFZ-GFCCVEGCSA-N 0 0 295.338 3.938 10 0 CHAERN CCn1cc([C@@H](C)Nc2cccc3c2CCCC3)cn1 ZINC000044494429 330328413 /nfs/dbraw/zinc/32/84/13/330328413.db2.gz CNHQKWNORBWMNF-CYBMUJFWSA-N 0 0 269.392 3.955 10 0 CHAERN Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000055274696 330364116 /nfs/dbraw/zinc/36/41/16/330364116.db2.gz NPPMUTQOBALDQK-ZIAGYGMSSA-N 0 0 299.336 3.775 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2ncccc2Cl)C1 ZINC000088726481 330378587 /nfs/dbraw/zinc/37/85/87/330378587.db2.gz VCUIGYYARJVJRZ-ZJUUUORDSA-N 0 0 256.802 3.821 10 0 CHAERN CCc1cc(N[C@H](CC)c2cccs2)nc(C)n1 ZINC000088760289 330378640 /nfs/dbraw/zinc/37/86/40/330378640.db2.gz HXOIUDFYAVVFSS-GFCCVEGCSA-N 0 0 261.394 3.972 10 0 CHAERN O=C1CC2(CCC(F)(F)CC2)Oc2cc(F)ccc21 ZINC000536953330 330382754 /nfs/dbraw/zinc/38/27/54/330382754.db2.gz HGAVWUIBJUDEEX-UHFFFAOYSA-N 0 0 270.250 3.739 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@H]1CO2 ZINC000536956484 330383310 /nfs/dbraw/zinc/38/33/10/330383310.db2.gz WQFGKTODILHJLP-OEUWWYETSA-N 0 0 295.423 3.639 10 0 CHAERN COc1ccccc1-c1cc(C(F)(F)F)c(Cl)nn1 ZINC000536959293 330383847 /nfs/dbraw/zinc/38/38/47/330383847.db2.gz IZIQTYLCSMTTLX-UHFFFAOYSA-N 0 0 288.656 3.824 10 0 CHAERN CC(=O)c1nnc(-c2cccc(C)c2)cc1C(F)(F)F ZINC000536960879 330384215 /nfs/dbraw/zinc/38/42/15/330384215.db2.gz UZZKYMKSMQVYIL-UHFFFAOYSA-N 0 0 280.249 3.673 10 0 CHAERN CCc1onc(C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000089419353 330384879 /nfs/dbraw/zinc/38/48/79/330384879.db2.gz LVKVRDFSMJHOCF-NSHDSACASA-N 0 0 289.335 3.507 10 0 CHAERN C[C@@H]1CC(Nc2cccc(Cn3cncn3)c2)C[C@@H](C)C1 ZINC000084468879 330485958 /nfs/dbraw/zinc/48/59/58/330485958.db2.gz IUVPUFNFFQJBNO-KBPBESRZSA-N 0 0 284.407 3.563 10 0 CHAERN CCCOc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085632989 330491864 /nfs/dbraw/zinc/49/18/64/330491864.db2.gz SYKNXDPIBVHZIS-XHSDSOJGSA-N 0 0 275.392 3.701 10 0 CHAERN Cc1ccc(F)cc1CN1CCCc2c(N)cccc21 ZINC000157117933 330764186 /nfs/dbraw/zinc/76/41/86/330764186.db2.gz GYCQSNCGOPOAGN-UHFFFAOYSA-N 0 0 270.351 3.669 10 0 CHAERN CC[C@@H](NC(=O)c1ccc(C)cc1Br)C(C)C ZINC000163739684 331078811 /nfs/dbraw/zinc/07/88/11/331078811.db2.gz UQSAVOXQSLWVLX-CYBMUJFWSA-N 0 0 298.224 3.922 10 0 CHAERN FC(F)(F)c1ccc(N[C@H]2CCCc3ccccc32)nn1 ZINC000164645040 331271940 /nfs/dbraw/zinc/27/19/40/331271940.db2.gz CDZABLZUSHUVIQ-LBPRGKRZSA-N 0 0 293.292 3.985 10 0 CHAERN CC/C=C\CCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000466216706 331391078 /nfs/dbraw/zinc/39/10/78/331391078.db2.gz KTYGUYJYGWAFOG-WAYWQWQTSA-N 0 0 277.412 3.908 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)/C=C\c2ccc[nH]2)o1 ZINC000491979456 332378039 /nfs/dbraw/zinc/37/80/39/332378039.db2.gz SENBIBCMIAKYSG-CLOOOTJHSA-N 0 0 298.386 3.937 10 0 CHAERN CC(C)[C@H](O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000153807945 334680262 /nfs/dbraw/zinc/68/02/62/334680262.db2.gz BDIBRVXRWYGMIU-QGZVFWFLSA-N 0 0 299.370 3.824 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC(C(C)C)CC2)cc1 ZINC000174506013 333000867 /nfs/dbraw/zinc/00/08/67/333000867.db2.gz QZXYLTYIBBSTAY-AWEZNQCLSA-N 0 0 289.419 3.693 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1c(C)cccc1Br ZINC000310523318 333059377 /nfs/dbraw/zinc/05/93/77/333059377.db2.gz XILNZLUHYNFCFD-CMPLNLGQSA-N 0 0 296.208 3.676 10 0 CHAERN CCC(=O)Nc1ccc(C)c(N[C@@H]2CCC2(C)C)c1 ZINC000311871911 333073652 /nfs/dbraw/zinc/07/36/52/333073652.db2.gz TVYUWNHWMDMKEU-CQSZACIVSA-N 0 0 260.381 3.944 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Cc2ccc(F)cc2)cc1F ZINC000088234217 333087344 /nfs/dbraw/zinc/08/73/44/333087344.db2.gz OOWANVZQEZYISW-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000182990577 333118452 /nfs/dbraw/zinc/11/84/52/333118452.db2.gz NJNFUEVBJPGJDN-FIQHERPVSA-N 0 0 279.346 3.906 10 0 CHAERN CC(C)C[C@H](CCO)CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184105855 333125028 /nfs/dbraw/zinc/12/50/28/333125028.db2.gz ADACRZOVJRFCDV-OWCLPIDISA-N 0 0 297.483 3.610 10 0 CHAERN CC(C)C[C@H](CCO)CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000184105870 333125209 /nfs/dbraw/zinc/12/52/09/333125209.db2.gz ADACRZOVJRFCDV-HRCADAONSA-N 0 0 297.483 3.610 10 0 CHAERN Cc1cnc([C@@H](C)N[C@H]2CCCc3ccccc32)o1 ZINC000220882038 333169999 /nfs/dbraw/zinc/16/99/99/333169999.db2.gz CMSDHVOEGNBLHL-DOMZBBRYSA-N 0 0 256.349 3.711 10 0 CHAERN CCOc1ccccc1[C@@H](C)N[C@@H](C)c1ncc(C)o1 ZINC000220927432 333170845 /nfs/dbraw/zinc/17/08/45/333170845.db2.gz XIJAMVHSWFUUGS-OLZOCXBDSA-N 0 0 274.364 3.794 10 0 CHAERN CCCCN(C(=O)[C@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000189062892 333179447 /nfs/dbraw/zinc/17/94/47/333179447.db2.gz WNHCEDMXMNFFFD-ZBFHGGJFSA-N 0 0 275.392 3.635 10 0 CHAERN CC[C@H](C)CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000189493358 333193677 /nfs/dbraw/zinc/19/36/77/333193677.db2.gz GFRDRKHJYRRLAK-WCQYABFASA-N 0 0 287.325 3.712 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2cccc3c2CCCN3)[C@@H](C)C1 ZINC000226203848 333253833 /nfs/dbraw/zinc/25/38/33/333253833.db2.gz RBMJYODYQKGMCS-WWGRRREGSA-N 0 0 286.419 3.599 10 0 CHAERN CC(C)[C@H](C)NC(=O)Cc1cccc(Cl)c1Cl ZINC000193744658 333256455 /nfs/dbraw/zinc/25/64/55/333256455.db2.gz WOWRMOPGTJNCPU-VIFPVBQESA-N 0 0 274.191 3.697 10 0 CHAERN CC1(C)[C@H](Nc2ccc(F)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC000227063767 333275356 /nfs/dbraw/zinc/27/53/56/333275356.db2.gz FQKISKVXOKCXPR-OASPWFOLSA-N 0 0 269.747 3.705 10 0 CHAERN CCOc1cc(C)ccc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250403083 333305215 /nfs/dbraw/zinc/30/52/15/333305215.db2.gz SBCVJICSTIZGOV-DAXOMENPSA-N 0 0 275.392 3.619 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1Br ZINC000230041672 333312534 /nfs/dbraw/zinc/31/25/34/333312534.db2.gz ZMPDTTNXDGTOCL-VHSXEESVSA-N 0 0 282.181 3.824 10 0 CHAERN CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@@H]2C)cc1C ZINC000230042484 333312566 /nfs/dbraw/zinc/31/25/66/333312566.db2.gz GSSDKTLANYMZLM-GXSJLCMTSA-N 0 0 295.404 3.608 10 0 CHAERN Cc1cc(Br)cnc1NC(=O)[C@@H]1CCC[C@@H]1C ZINC000230060170 333312648 /nfs/dbraw/zinc/31/26/48/333312648.db2.gz DSBXNEVYWJZODD-GZMMTYOYSA-N 0 0 297.196 3.527 10 0 CHAERN C[C@H]1CCC[C@@H](c2noc(-c3ccc(O)cc3F)n2)C1 ZINC000230229041 333316069 /nfs/dbraw/zinc/31/60/69/333316069.db2.gz CBFICPSNSQAYBN-VHSXEESVSA-N 0 0 276.311 3.875 10 0 CHAERN Cc1cnc([C@H](C)Nc2cccc(C(F)(F)F)n2)o1 ZINC000235533154 333370484 /nfs/dbraw/zinc/37/04/84/333370484.db2.gz GZSAEGCKFLNJAE-QMMMGPOBSA-N 0 0 271.242 3.570 10 0 CHAERN COC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(C)cc1C ZINC000036980925 333448739 /nfs/dbraw/zinc/44/87/39/333448739.db2.gz QJGIAJZHCVEMFA-ZBFHGGJFSA-N 0 0 277.408 3.542 10 0 CHAERN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)c(Cl)c1 ZINC000037323363 333532123 /nfs/dbraw/zinc/53/21/23/333532123.db2.gz RLTFGOWHSPCACZ-UHFFFAOYSA-N 0 0 286.762 3.869 10 0 CHAERN Fc1ccc(Cl)c(CN2CCNc3ccccc32)c1 ZINC000124293145 333557587 /nfs/dbraw/zinc/55/75/87/333557587.db2.gz OWGCANNAHGCDQO-UHFFFAOYSA-N 0 0 276.742 3.911 10 0 CHAERN c1ccc2c(c1)OC[C@@H]2Nc1ccc2ccccc2n1 ZINC000070199010 333801307 /nfs/dbraw/zinc/80/13/07/333801307.db2.gz ALYIFEWQQUKOIA-HNNXBMFYSA-N 0 0 262.312 3.780 10 0 CHAERN Cc1ccncc1N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000071413388 333860234 /nfs/dbraw/zinc/86/02/34/333860234.db2.gz XGVHJMCXQYGCDP-CYBMUJFWSA-N 0 0 284.359 3.552 10 0 CHAERN Cn1c(CSCC2CCCCC2)nnc1C1CC1 ZINC000130664941 333866059 /nfs/dbraw/zinc/86/60/59/333866059.db2.gz YMGXZHAXJWTUKF-UHFFFAOYSA-N 0 0 265.426 3.506 10 0 CHAERN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2C)CCS1 ZINC000073414569 333972197 /nfs/dbraw/zinc/97/21/97/333972197.db2.gz CPQMWYLWTYRQDM-KBPBESRZSA-N 0 0 292.448 3.593 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](CC(C)C)C2)o1 ZINC000073503701 333973453 /nfs/dbraw/zinc/97/34/53/333973453.db2.gz VZVYKZYSXLQFRB-KBPBESRZSA-N 0 0 278.396 3.727 10 0 CHAERN Cc1cc(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)no1 ZINC000074039879 333983631 /nfs/dbraw/zinc/98/36/31/333983631.db2.gz VJFMDZCSYLZRJV-ZDUSSCGKSA-N 0 0 294.354 3.556 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cnc(-c2ccccc2)s1 ZINC000078349394 334131902 /nfs/dbraw/zinc/13/19/02/334131902.db2.gz YWRBMYRYCIIRLG-NSHDSACASA-N 0 0 274.389 3.584 10 0 CHAERN O=C(CC1CCCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078491040 334134670 /nfs/dbraw/zinc/13/46/70/334134670.db2.gz HFSZBBKGTHNOIW-RYUDHWBXSA-N 0 0 277.330 3.804 10 0 CHAERN CC1(C)CCC(NC(=O)c2cccc3c2CCCN3)CC1 ZINC000079679734 334159876 /nfs/dbraw/zinc/15/98/76/334159876.db2.gz XCRLLQRRHLVMHU-UHFFFAOYSA-N 0 0 286.419 3.743 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000080431734 334171479 /nfs/dbraw/zinc/17/14/79/334171479.db2.gz CYMATNZXYNCJKL-UKRRQHHQSA-N 0 0 272.392 3.804 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCC2CC2)cc1 ZINC000081022502 334176450 /nfs/dbraw/zinc/17/64/50/334176450.db2.gz VPNBJMAXFWBHBJ-IAGOWNOFSA-N 0 0 271.404 3.830 10 0 CHAERN COC[C@H](C)C(=O)N(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245414956 334191047 /nfs/dbraw/zinc/19/10/47/334191047.db2.gz FEVFPIJPWDDMSZ-AVGNSLFASA-N 0 0 297.826 3.573 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245497330 334197469 /nfs/dbraw/zinc/19/74/69/334197469.db2.gz TZEYKQJXXHGYRR-ARLBYUKCSA-N 0 0 257.377 3.608 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](CC2CCC2)c2ccccc2)O1 ZINC000245535049 334201334 /nfs/dbraw/zinc/20/13/34/334201334.db2.gz FCUPUHJCVRXFID-XYPHTWIQSA-N 0 0 287.403 3.602 10 0 CHAERN CCc1onc(C)c1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245638820 334209764 /nfs/dbraw/zinc/20/97/64/334209764.db2.gz WSFGBHZZPGAMSN-RAIGVLPGSA-N 0 0 291.395 3.730 10 0 CHAERN C[C@H](NC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000246733939 334268487 /nfs/dbraw/zinc/26/84/87/334268487.db2.gz VWGFMCUSYCKMOC-AVGNSLFASA-N 0 0 278.421 3.641 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCn3cccc3[C@H]2C)CC(C)(C)C1 ZINC000248597088 334307695 /nfs/dbraw/zinc/30/76/95/334307695.db2.gz TWCCOYCLQIBWER-RBSFLKMASA-N 0 0 288.435 3.854 10 0 CHAERN Clc1csc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000248738923 334315339 /nfs/dbraw/zinc/31/53/39/334315339.db2.gz PNYPGUCGXIAZKD-OLZOCXBDSA-N 0 0 271.813 3.545 10 0 CHAERN Cc1cc(Cl)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251041574 334354987 /nfs/dbraw/zinc/35/49/87/334354987.db2.gz LYMPQPWXXWYLPB-IACUBPJLSA-N 0 0 265.784 3.874 10 0 CHAERN C[C@@H]1C[C@@H]1c1ccc(CN[C@H]2COc3ccccc32)o1 ZINC000252212754 334377103 /nfs/dbraw/zinc/37/71/03/334377103.db2.gz YNCOSWVPXLTNBB-UGFHNGPFSA-N 0 0 269.344 3.626 10 0 CHAERN COC(=O)[C@@H](c1ccccc1C)N1CCC[C@@H]1c1ccco1 ZINC000163005172 334390485 /nfs/dbraw/zinc/39/04/85/334390485.db2.gz FWUIIHHFDNEISK-NVXWUHKLSA-N 0 0 299.370 3.639 10 0 CHAERN COc1ccc([C@@H](C)C(=O)NC/C=C\c2ccccc2)cc1 ZINC000255034002 334503513 /nfs/dbraw/zinc/50/35/13/334503513.db2.gz DMHARUFQVAJNSV-WUKHSURWSA-N 0 0 295.382 3.628 10 0 CHAERN CC(C)C[C@H](C)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000153272978 334581015 /nfs/dbraw/zinc/58/10/15/334581015.db2.gz WNOFBBBSROGWOK-JTQLQIEISA-N 0 0 264.344 3.557 10 0 CHAERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000155473593 334722037 /nfs/dbraw/zinc/72/20/37/334722037.db2.gz JFNMONAICJICHP-BBRMVZONSA-N 0 0 291.435 3.568 10 0 CHAERN CCC(C)(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157783930 334783970 /nfs/dbraw/zinc/78/39/70/334783970.db2.gz KHSBUFKEVQYKRN-AWEZNQCLSA-N 0 0 263.356 3.756 10 0 CHAERN Cc1occc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157859290 334786264 /nfs/dbraw/zinc/78/62/64/334786264.db2.gz YAXSBXFAFMFLBL-HNNXBMFYSA-N 0 0 273.307 3.535 10 0 CHAERN COc1c(CNc2cccc3ccsc32)c(C)nn1C ZINC000347905983 335406170 /nfs/dbraw/zinc/40/61/70/335406170.db2.gz ZLFUEGBFXQTUCO-UHFFFAOYSA-N 0 0 287.388 3.564 10 0 CHAERN CCOc1ccc2nc(NCc3cccn3C)sc2c1 ZINC000181534943 335768339 /nfs/dbraw/zinc/76/83/39/335768339.db2.gz NSZCHWSCKYNCPT-UHFFFAOYSA-N 0 0 287.388 3.646 10 0 CHAERN CCN(Cc1nnc(C(C)C)n1C)c1cc(C)cc(C)c1 ZINC000195098345 336045406 /nfs/dbraw/zinc/04/54/06/336045406.db2.gz BZOUBLSLXFCZMA-UHFFFAOYSA-N 0 0 286.423 3.582 10 0 CHAERN Brc1cccc2c1O[C@@H](c1ccccc1)CN2 ZINC000062560453 518221629 /nfs/dbraw/zinc/22/16/29/518221629.db2.gz SJBLBBCXUJQYGQ-CYBMUJFWSA-N 0 0 290.160 3.995 10 0 CHAERN CCCCCN(C)C(=O)c1ccccc1NCCC ZINC000050748865 520148219 /nfs/dbraw/zinc/14/82/19/520148219.db2.gz YBWYWRJTJRPCLA-UHFFFAOYSA-N 0 0 262.397 3.771 10 0 CHAERN CC[NH+](CC)[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000057574461 520858761 /nfs/dbraw/zinc/85/87/61/520858761.db2.gz IHVCCAPWYJFRMY-OAHLLOKOSA-N 0 0 277.408 3.842 10 0 CHAERN CCOc1ccccc1[C@@H](O)c1cc(F)ccc1C ZINC000055240320 521578665 /nfs/dbraw/zinc/57/86/65/521578665.db2.gz VGGAZTKCKWWUQP-MRXNPFEDSA-N 0 0 260.308 3.615 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2nc(C(C)C)ns2)C1 ZINC000226804327 521727187 /nfs/dbraw/zinc/72/71/87/521727187.db2.gz DNLXZVQAYVEZCK-NXEZZACHSA-N 0 0 271.455 3.748 10 0 CHAERN C[C@@H]1CCC[C@@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000336501133 533723231 /nfs/dbraw/zinc/72/32/31/533723231.db2.gz IXDXYJBWFBHBJA-TZMCWYRMSA-N 0 0 292.448 3.675 10 0 CHAERN C[C@@H]1CCC[C@@H]1c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000329719921 533794770 /nfs/dbraw/zinc/79/47/70/533794770.db2.gz MPJCPZKLTURXHX-OCCSQVGLSA-N 0 0 298.390 3.635 10 0 CHAERN Cc1cc(N2CC[C@H]3CCCC[C@@H]32)nc(C(C)C)n1 ZINC000301589139 533909486 /nfs/dbraw/zinc/90/94/86/533909486.db2.gz SNEVKZXIWCAGLO-KGLIPLIRSA-N 0 0 259.397 3.677 10 0 CHAERN Cc1cc2c(ccnc2N2CCC([C@H]3CCCO3)CC2)o1 ZINC000302560268 534069369 /nfs/dbraw/zinc/06/93/69/534069369.db2.gz MRBPWARFTWEQFF-OAHLLOKOSA-N 0 0 286.375 3.532 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000334762284 534150123 /nfs/dbraw/zinc/15/01/23/534150123.db2.gz IIPAJCQHCKBDBS-GWCFXTLKSA-N 0 0 264.756 3.665 10 0 CHAERN CCCNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000026774956 517586946 /nfs/dbraw/zinc/58/69/46/517586946.db2.gz MNCAPGFMVLMLJW-JLHYYAGUSA-N 0 0 295.382 3.805 10 0 CHAERN CC(=O)c1ccc(N2CCCCC2)c(Br)c1 ZINC000061693611 518344693 /nfs/dbraw/zinc/34/46/93/518344693.db2.gz MSAODFGJBPWIEE-UHFFFAOYSA-N 0 0 282.181 3.642 10 0 CHAERN CC(=O)c1cccc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000048403336 518450766 /nfs/dbraw/zinc/45/07/66/518450766.db2.gz WHMLNLLZUAHJQY-UHFFFAOYSA-N 0 0 294.759 3.866 10 0 CHAERN CC(C)(C)CCN(CCC(N)=S)c1ccccc1 ZINC000049254714 518645722 /nfs/dbraw/zinc/64/57/22/518645722.db2.gz OLUFGQISGVCVHU-UHFFFAOYSA-N 0 0 264.438 3.605 10 0 CHAERN CC(C)(C)CCSc1nc2ccc(N)cc2o1 ZINC000049256395 518657114 /nfs/dbraw/zinc/65/71/14/518657114.db2.gz WJZJRZFBXHYIFG-UHFFFAOYSA-N 0 0 250.367 3.938 10 0 CHAERN CC(C)Cc1c(N)onc1-c1ccc(Cl)s1 ZINC000051172415 519427005 /nfs/dbraw/zinc/42/70/05/519427005.db2.gz XEIITXHLLZNYCQ-UHFFFAOYSA-N 0 0 256.758 3.837 10 0 CHAERN CC(C)CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151716510 519598524 /nfs/dbraw/zinc/59/85/24/519598524.db2.gz XTUMDSYKUNVJFB-OAHLLOKOSA-N 0 0 287.403 3.985 10 0 CHAERN CC(C)CNC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000048433935 519733445 /nfs/dbraw/zinc/73/34/45/519733445.db2.gz JRDITWZTYRBOGE-VOTSOKGWSA-N 0 0 272.175 3.779 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@]1(O)c1cncc(F)c1 ZINC000049576895 519803354 /nfs/dbraw/zinc/80/33/54/519803354.db2.gz NRGVACQKWWKASU-TUKIKUTGSA-N 0 0 251.345 3.501 10 0 CHAERN CC(C)c1cccc(NCCOCC(F)(F)F)c1 ZINC000049310918 519842390 /nfs/dbraw/zinc/84/23/90/519842390.db2.gz TUEFMPOEIMDSKM-UHFFFAOYSA-N 0 0 261.287 3.801 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1ccc(F)cc1 ZINC000049509921 519857907 /nfs/dbraw/zinc/85/79/07/519857907.db2.gz PXVOXCCAGHXUHN-VIFPVBQESA-N 0 0 265.357 3.812 10 0 CHAERN CC(C)c1nc(-c2ccc(F)c(F)c2)c(N)s1 ZINC000050308899 519858164 /nfs/dbraw/zinc/85/81/64/519858164.db2.gz KYAXBIJBARAXRO-UHFFFAOYSA-N 0 0 254.305 3.794 10 0 CHAERN CC(C)c1nc(CSc2ncccc2N)cs1 ZINC000049277043 519865059 /nfs/dbraw/zinc/86/50/59/519865059.db2.gz GXIFZROLCFTCOZ-UHFFFAOYSA-N 0 0 265.407 3.536 10 0 CHAERN CC(C)c1nn(C)cc1N[C@@H](C)c1cccc(F)c1F ZINC000280912511 519883832 /nfs/dbraw/zinc/88/38/32/519883832.db2.gz QMTJZWSYAUECNE-JTQLQIEISA-N 0 0 279.334 3.995 10 0 CHAERN CCCC1CC[NH+](CC2(C(=O)[O-])CCCCC2)CC1 ZINC000051288646 519900677 /nfs/dbraw/zinc/90/06/77/519900677.db2.gz AVNVLGXRHJTRLS-UHFFFAOYSA-N 0 0 267.413 3.534 10 0 CHAERN CC(C)c1noc(N[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000265642947 519906824 /nfs/dbraw/zinc/90/68/24/519906824.db2.gz SKHUYFBVLAZVHQ-QMMMGPOBSA-N 0 0 267.279 3.644 10 0 CHAERN CCCNc1ccc(C(=O)N(C)[C@H](C)CCC)cc1 ZINC000050756162 520142452 /nfs/dbraw/zinc/14/24/52/520142452.db2.gz JXPOOEZSLULUMV-CYBMUJFWSA-N 0 0 262.397 3.769 10 0 CHAERN CCCNc1ncccc1CO[C@H]1CCCC[C@H]1C ZINC000052754790 520196793 /nfs/dbraw/zinc/19/67/93/520196793.db2.gz LNOHJNBVRXALKG-HIFRSBDPSA-N 0 0 262.397 3.999 10 0 CHAERN CCNc1ccc(CO[C@H](C)c2ccccc2)cn1 ZINC000050831778 520303821 /nfs/dbraw/zinc/30/38/21/520303821.db2.gz UHPGCBZNOWDDJM-CYBMUJFWSA-N 0 0 256.349 3.791 10 0 CHAERN CCCOc1ccc(N[C@H](C)c2cn(C)nc2C)cc1 ZINC000087409743 520403393 /nfs/dbraw/zinc/40/33/93/520403393.db2.gz VIRYMMCZKSBTLL-GFCCVEGCSA-N 0 0 273.380 3.690 10 0 CHAERN CCCOc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1 ZINC000087409741 520404121 /nfs/dbraw/zinc/40/41/21/520404121.db2.gz VIRYMMCZKSBTLL-LBPRGKRZSA-N 0 0 273.380 3.690 10 0 CHAERN CC1(C)CCc2ccccc2[C@H]1NCc1cscn1 ZINC000130157777 520415765 /nfs/dbraw/zinc/41/57/65/520415765.db2.gz MIAFYDNSGCOYIN-OAHLLOKOSA-N 0 0 272.417 3.946 10 0 CHAERN CCCOc1ccc([C@H](O)c2ccc(C)cc2)cc1 ZINC000055262792 520430068 /nfs/dbraw/zinc/43/00/68/520430068.db2.gz SYWRAUNXOQJNFC-QGZVFWFLSA-N 0 0 256.345 3.866 10 0 CHAERN CCCOc1ccccc1N[C@H](C)c1cn(C)nc1C ZINC000087407645 520484779 /nfs/dbraw/zinc/48/47/79/520484779.db2.gz RKBMUVBXTQNOMR-GFCCVEGCSA-N 0 0 273.380 3.690 10 0 CHAERN CCN(CC)C(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000052684486 520534664 /nfs/dbraw/zinc/53/46/64/520534664.db2.gz SQLSXICYXKMBEH-VIFPVBQESA-N 0 0 289.206 3.662 10 0 CHAERN Cc1ccc2ncnc(N3CC[C@H]4CCCC[C@H]43)c2c1 ZINC000301592653 534525330 /nfs/dbraw/zinc/52/53/30/534525330.db2.gz UKTGFJIXJLUVJZ-CZUORRHYSA-N 0 0 267.376 3.707 10 0 CHAERN CCOc1ccc(C)cc1C(=O)c1sccc1C ZINC000051598751 520927976 /nfs/dbraw/zinc/92/79/76/520927976.db2.gz LTRLAPMFDKGFNG-UHFFFAOYSA-N 0 0 260.358 3.995 10 0 CHAERN CCCC[C@@H](C)Nc1ccc(Cl)cc1C(N)=S ZINC000052859131 521010711 /nfs/dbraw/zinc/01/07/11/521010711.db2.gz TYIAFAIXTJGIBU-SECBINFHSA-N 0 0 270.829 3.965 10 0 CHAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC000062751688 521210146 /nfs/dbraw/zinc/21/01/46/521210146.db2.gz VVOQYCKUJWOMBA-BYNSBNAKSA-N 0 0 269.429 3.634 10 0 CHAERN CCOC(=O)[C@H](CC(C)(C)C)Nc1ccccc1C ZINC000061840317 521229546 /nfs/dbraw/zinc/22/95/46/521229546.db2.gz BCRNPUAKIAFSMH-AWEZNQCLSA-N 0 0 263.381 3.775 10 0 CHAERN CCOc1ccccc1-c1cc(NCC(C)C)n[nH]1 ZINC000062669453 521439942 /nfs/dbraw/zinc/43/99/42/521439942.db2.gz JBSBBUBXHRSPKF-UHFFFAOYSA-N 0 0 259.353 3.543 10 0 CHAERN CCN(c1nc(C)c(C(C)=O)s1)c1cccc(F)c1 ZINC000054863136 521503694 /nfs/dbraw/zinc/50/36/94/521503694.db2.gz GVDNEUCEVMVXMW-UHFFFAOYSA-N 0 0 278.352 3.951 10 0 CHAERN CCCc1nc(N(C)C(CC)CC)sc1C=O ZINC000054967358 521528537 /nfs/dbraw/zinc/52/85/37/521528537.db2.gz YFLOTLMTFFKQJR-UHFFFAOYSA-N 0 0 254.399 3.533 10 0 CHAERN CCOc1ccccc1[C@H](O)c1cc(F)ccc1C ZINC000055240318 521590375 /nfs/dbraw/zinc/59/03/75/521590375.db2.gz VGGAZTKCKWWUQP-INIZCTEOSA-N 0 0 260.308 3.615 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2nc(C(C)C)ns2)C1 ZINC000226804336 521732820 /nfs/dbraw/zinc/73/28/20/521732820.db2.gz DNLXZVQAYVEZCK-ZJUUUORDSA-N 0 0 271.455 3.748 10 0 CHAERN CCc1cccc(NCCCOCC(F)(F)F)c1 ZINC000049312243 521770064 /nfs/dbraw/zinc/77/00/64/521770064.db2.gz YEYJZPIZDRJADC-UHFFFAOYSA-N 0 0 261.287 3.630 10 0 CHAERN CC[C@@H](C)Cn1c2ccc(N)cc2nc1C(F)(F)F ZINC000054492066 522032536 /nfs/dbraw/zinc/03/25/36/522032536.db2.gz LCNXLWTWMUBLHC-MRVPVSSYSA-N 0 0 271.286 3.683 10 0 CHAERN CCc1n[nH]c(=S)n1[C@@H](C)c1ccc(Cl)cc1 ZINC000049526368 522131652 /nfs/dbraw/zinc/13/16/52/522131652.db2.gz YOLWWGCXFIMGOL-QMMMGPOBSA-N 0 0 267.785 3.766 10 0 CHAERN CCc1nc(COc2cccc(Cl)c2C=O)cs1 ZINC000049275684 522366017 /nfs/dbraw/zinc/36/60/17/522366017.db2.gz VUQYEVKLQKCQAB-UHFFFAOYSA-N 0 0 281.764 3.750 10 0 CHAERN COC[C@H](C)C(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000103372843 522545813 /nfs/dbraw/zinc/54/58/13/522545813.db2.gz UEGLDOPCJOBFER-NWDGAFQWSA-N 0 0 295.810 3.675 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccccc1SC1CCCC1 ZINC000103374653 522554740 /nfs/dbraw/zinc/55/47/40/522554740.db2.gz HVTOJBVCXUHDBN-LBPRGKRZSA-N 0 0 293.432 3.942 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N(C)Cc1ccsc1 ZINC000050752537 522624310 /nfs/dbraw/zinc/62/43/10/522624310.db2.gz LFQQWMZSRQEUCM-UHFFFAOYSA-N 0 0 294.807 3.715 10 0 CHAERN O=C(c1cc(Cl)sc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000335145032 534661906 /nfs/dbraw/zinc/66/19/06/534661906.db2.gz ZTWRFBAWTNKJJM-XPUUQOCRSA-N 0 0 276.188 3.679 10 0 CHAERN CC[C@@H]([NH2+][C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000049356980 522906291 /nfs/dbraw/zinc/90/62/91/522906291.db2.gz RWBUTZPYSILTJZ-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](OC)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000157367144 523024289 /nfs/dbraw/zinc/02/42/89/523024289.db2.gz NWPLTXNVSZCFGM-CYBMUJFWSA-N 0 0 284.315 3.693 10 0 CHAERN CCc1sc([C@H](C)Nc2cn[nH]c(=O)c2Cl)cc1C ZINC000157779046 523079411 /nfs/dbraw/zinc/07/94/11/523079411.db2.gz IPLYWMXSHKOALL-QMMMGPOBSA-N 0 0 297.811 3.529 10 0 CHAERN CC[C@H]1CCCN1c1ccc([C@@H](C)O)cc1Cl ZINC000061695764 523112596 /nfs/dbraw/zinc/11/25/96/523112596.db2.gz ALZQEYBZRSBWGU-PWSUYJOCSA-N 0 0 253.773 3.772 10 0 CHAERN CC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000062753596 523362387 /nfs/dbraw/zinc/36/23/87/523362387.db2.gz WCPSOKBKAQYGSL-RFQIPJPRSA-N 0 0 269.429 3.632 10 0 CHAERN COc1ccc(Br)c2c(Cl)cc(C)nc12 ZINC000049570203 523487100 /nfs/dbraw/zinc/48/71/00/523487100.db2.gz QAXUTIKZYBFVHG-UHFFFAOYSA-N 0 0 286.556 3.968 10 0 CHAERN COc1ccc(Br)cc1COCc1ccco1 ZINC000049600910 523501933 /nfs/dbraw/zinc/50/19/33/523501933.db2.gz PAXGSDCUJLJDMQ-UHFFFAOYSA-N 0 0 297.148 3.768 10 0 CHAERN COc1ccc(Br)cc1Nc1cccc(N)c1 ZINC000049564504 523506731 /nfs/dbraw/zinc/50/67/31/523506731.db2.gz OPQBKPLODYEOSL-UHFFFAOYSA-N 0 0 293.164 3.784 10 0 CHAERN CCn1nc(CN[C@H](C)c2ccc(C)o2)c2ccccc21 ZINC000089174178 523679663 /nfs/dbraw/zinc/67/96/63/523679663.db2.gz MCHZAZGGOZXWEZ-CYBMUJFWSA-N 0 0 283.375 3.808 10 0 CHAERN CCc1ccc2c(c1)NC[C@H](c1ccc(F)cc1)O2 ZINC000062537989 524059217 /nfs/dbraw/zinc/05/92/17/524059217.db2.gz KRKVPRKLHRKOPN-MRXNPFEDSA-N 0 0 257.308 3.934 10 0 CHAERN COc1cccc([C@@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791954 524105429 /nfs/dbraw/zinc/10/54/29/524105429.db2.gz GTKDPMWZTGGVQD-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN C[C@@H]1CCCCN1c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054861459 524119982 /nfs/dbraw/zinc/11/99/82/524119982.db2.gz UKBALRSEMQELBO-SNVBAGLBSA-N 0 0 278.421 3.677 10 0 CHAERN Cc1cccc(Br)c1C(=O)N[C@@H](C)C(C)C ZINC000309343629 524160637 /nfs/dbraw/zinc/16/06/37/524160637.db2.gz LQGQFFCRNDTXBS-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN COc1ccc(Cl)c(N[C@@H](C)Cc2ccco2)c1 ZINC000062772029 524187095 /nfs/dbraw/zinc/18/70/95/524187095.db2.gz SGBBAMWYQRVZEI-JTQLQIEISA-N 0 0 265.740 3.985 10 0 CHAERN COc1ccc(Cl)cc1[C@H]1CCCCCC1=O ZINC000055230622 524254829 /nfs/dbraw/zinc/25/48/29/524254829.db2.gz POTZPKJWAWUYCJ-LLVKDONJSA-N 0 0 252.741 3.965 10 0 CHAERN Cc1ccc(CC[C@@H](O)Cc2ccccc2F)cc1 ZINC000062141645 524347832 /nfs/dbraw/zinc/34/78/32/524347832.db2.gz BUDMZZIISJYJTE-MRXNPFEDSA-N 0 0 258.336 3.670 10 0 CHAERN Cc1cc(C)c2cc(I)cc(C)c2n1 ZINC000299889686 524349604 /nfs/dbraw/zinc/34/96/04/524349604.db2.gz NBWZSQGRDVZDIU-UHFFFAOYSA-N 0 0 297.139 3.765 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC3(C2)CCCCCC3)O1 ZINC000157981213 524555434 /nfs/dbraw/zinc/55/54/34/524555434.db2.gz QQSGFHHMQZKZHW-CABCVRRESA-N 0 0 279.424 3.517 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)c1ccc(C)cc1 ZINC000075459074 524585024 /nfs/dbraw/zinc/58/50/24/524585024.db2.gz IMSOQMYKANUXQO-UHFFFAOYSA-N 0 0 283.371 3.920 10 0 CHAERN COc1ccccc1Nc1cc(C)nc2nc(C)ccc12 ZINC000047162283 524647637 /nfs/dbraw/zinc/64/76/37/524647637.db2.gz UPYAJFGBNCBLOR-UHFFFAOYSA-N 0 0 279.343 3.999 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC(=O)C[C@H]2C)c2ccccc21 ZINC000252734739 524695623 /nfs/dbraw/zinc/69/56/23/524695623.db2.gz DOMQKSMQIALADI-FAELENHSSA-N 0 0 299.414 3.747 10 0 CHAERN Cc1cccc(N[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000157773902 524698398 /nfs/dbraw/zinc/69/83/98/524698398.db2.gz CXLPCRAIAOTYJY-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN COc1ccc(Nc2ccc(Cl)cc2C(N)=S)cc1 ZINC000052857178 524714720 /nfs/dbraw/zinc/71/47/20/524714720.db2.gz CGMXBWQWTKREON-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN Cc1ccc(F)c(C(=O)c2ccc(F)cc2F)c1 ZINC000052981322 524801552 /nfs/dbraw/zinc/80/15/52/524801552.db2.gz BCBPXRMYNOOSPC-UHFFFAOYSA-N 0 0 250.219 3.643 10 0 CHAERN COc1ccccc1[C@](C)(O)c1cc(C)ccc1C ZINC000050014337 524819042 /nfs/dbraw/zinc/81/90/42/524819042.db2.gz SPJYSUDNLSGJKN-KRWDZBQOSA-N 0 0 256.345 3.568 10 0 CHAERN Cc1ccc(F)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117567528 524824300 /nfs/dbraw/zinc/82/43/00/524824300.db2.gz HLNWCAMTZGNPNY-ZBEGNZNMSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(F)c([C@@H](O)C2(c3ccccc3)CC2)c1 ZINC000062780642 524835894 /nfs/dbraw/zinc/83/58/94/524835894.db2.gz YDKLFSHAMMBHCI-MRXNPFEDSA-N 0 0 256.320 3.899 10 0 CHAERN Cc1ccc(N(Cc2ccccc2)C2CC2)cc1N ZINC000061701335 524899659 /nfs/dbraw/zinc/89/96/59/524899659.db2.gz UHXJTYXJXNCSHP-UHFFFAOYSA-N 0 0 252.361 3.746 10 0 CHAERN C[C@H](NC(=O)C1CC=CC1)c1ccccc1Br ZINC000077733874 524905150 /nfs/dbraw/zinc/90/51/50/524905150.db2.gz CNFMMKBTOQYMCI-JTQLQIEISA-N 0 0 294.192 3.593 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000291615853 524914703 /nfs/dbraw/zinc/91/47/03/524914703.db2.gz ZJAPERQMXMUJIA-DGCLKSJQSA-N 0 0 293.798 3.840 10 0 CHAERN Cc1ccc(N2CCC[C@H]2c2ccccc2)cc1N ZINC000061701345 524959798 /nfs/dbraw/zinc/95/97/98/524959798.db2.gz AFKXVVKKSNLJMN-KRWDZBQOSA-N 0 0 252.361 3.919 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000190291838 525016647 /nfs/dbraw/zinc/01/66/47/525016647.db2.gz MFMWKGRPYTXOCL-PSASIEDQSA-N 0 0 288.174 3.747 10 0 CHAERN Cc1cc(N)cnc1Nc1ccc(C(F)(F)F)cc1 ZINC000052812451 525040709 /nfs/dbraw/zinc/04/07/09/525040709.db2.gz UQSWAUJRWXDCDR-UHFFFAOYSA-N 0 0 267.254 3.735 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(-c2cccnc2)cc1 ZINC000083211011 525106982 /nfs/dbraw/zinc/10/69/82/525106982.db2.gz LMOVAKRHUNXFLD-DCGLDWPTSA-N 0 0 295.386 3.517 10 0 CHAERN Cc1ccccc1N(C)c1c(F)cc(CO)cc1F ZINC000062722369 525215966 /nfs/dbraw/zinc/21/59/66/525215966.db2.gz BBXBAIKHVBCZHA-UHFFFAOYSA-N 0 0 263.287 3.533 10 0 CHAERN Cc1ccccc1N(C)c1nc2c(s1)[C@@H](O)CCC2 ZINC000054927935 525216980 /nfs/dbraw/zinc/21/69/80/525216980.db2.gz POYNHTUOQZCDCO-ZDUSSCGKSA-N 0 0 274.389 3.589 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2)CCO1 ZINC000070343841 525275161 /nfs/dbraw/zinc/27/51/61/525275161.db2.gz DXSZYZRZMSKSCV-SKDRFNHKSA-N 0 0 259.271 3.685 10 0 CHAERN Cc1ccc(NCCOc2cc(F)cc(F)c2)cc1 ZINC000054935094 525279059 /nfs/dbraw/zinc/27/90/59/525279059.db2.gz NFQWWYWJHVALLB-UHFFFAOYSA-N 0 0 263.287 3.764 10 0 CHAERN Cc1ccc(NCc2ccccc2Br)cc1N ZINC000061701495 525283035 /nfs/dbraw/zinc/28/30/35/525283035.db2.gz PDTJEAURXUAUPO-UHFFFAOYSA-N 0 0 291.192 3.952 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000075524945 525328263 /nfs/dbraw/zinc/32/82/63/525328263.db2.gz GUDHKOGBWPAPBG-MFKMUULPSA-N 0 0 257.358 3.553 10 0 CHAERN COc1ccc([C@H](C)Nc2ccnc(Cl)c2)cc1OC ZINC000129845547 525337688 /nfs/dbraw/zinc/33/76/88/525337688.db2.gz BPAYBVNYJQFEPC-JTQLQIEISA-N 0 0 292.766 3.925 10 0 CHAERN Cc1ccccc1[C@H](C)n1c(=S)[nH]nc1C(C)C ZINC000049526417 525419716 /nfs/dbraw/zinc/41/97/16/525419716.db2.gz PEYGRVKUDMCGQJ-NSHDSACASA-N 0 0 261.394 3.982 10 0 CHAERN Cc1cc([C@@H](CO)Nc2ccccc2Cl)ccc1F ZINC000050559556 525481471 /nfs/dbraw/zinc/48/14/71/525481471.db2.gz YPSYYPPJHPYIGU-OAHLLOKOSA-N 0 0 279.742 3.933 10 0 CHAERN Cc1c(-c2nc(-c3ccsc3)no2)cnn1C(C)(C)C ZINC000109476902 525511457 /nfs/dbraw/zinc/51/14/57/525511457.db2.gz QIDYRXPLBCRLQM-UHFFFAOYSA-N 0 0 288.376 3.725 10 0 CHAERN C[C@H](N[C@@H](C)c1ccc(Br)cc1)c1cc[nH]n1 ZINC000049515651 525527585 /nfs/dbraw/zinc/52/75/85/525527585.db2.gz LPBQCMYHEVEYIQ-UWVGGRQHSA-N 0 0 294.196 3.584 10 0 CHAERN Cc1cc([C@H](CO)Nc2ccccc2C)c(C)s1 ZINC000049688028 525535639 /nfs/dbraw/zinc/53/56/39/525535639.db2.gz YUNUWMOLZDGACS-HNNXBMFYSA-N 0 0 261.390 3.819 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1C(N)=S)c1ccncc1 ZINC000052904803 525668746 /nfs/dbraw/zinc/66/87/46/525668746.db2.gz JDFNKSPYQJBHMW-VIFPVBQESA-N 0 0 291.807 3.542 10 0 CHAERN C[C@H](Nc1nc2ccc(N)cc2s1)c1ccco1 ZINC000063103532 525678837 /nfs/dbraw/zinc/67/88/37/525678837.db2.gz YDPXJFBTYOHMQT-QMMMGPOBSA-N 0 0 259.334 3.645 10 0 CHAERN Cc1cc2ncc([C@H](C)N[C@H](C)c3ccc(C)o3)c(C)n2n1 ZINC000121613325 525683764 /nfs/dbraw/zinc/68/37/64/525683764.db2.gz WIHVFBGDRBENQU-QWHCGFSZSA-N 0 0 298.390 3.659 10 0 CHAERN C[C@@H](Nc1c(N)ccc(F)c1F)C1CCCCC1 ZINC000053167800 525695106 /nfs/dbraw/zinc/69/51/06/525695106.db2.gz ZSHCVDXALLPFBQ-SECBINFHSA-N 0 0 254.324 3.928 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=S)cc1)C1CCCCC1 ZINC000052343437 525703168 /nfs/dbraw/zinc/70/31/68/525703168.db2.gz ZPTOVXMXOYARGZ-LLVKDONJSA-N 0 0 262.422 3.702 10 0 CHAERN Cc1ccc([C@@H](C)NCc2cc(F)c(F)c(F)c2)o1 ZINC000062706463 525731096 /nfs/dbraw/zinc/73/10/96/525731096.db2.gz BPCRIBSAKFVGRV-SECBINFHSA-N 0 0 269.266 3.856 10 0 CHAERN COc1cccc(-c2noc(N)c2-c2cccs2)c1 ZINC000052902123 525740440 /nfs/dbraw/zinc/74/04/40/525740440.db2.gz CWRWFDQAJAKVAP-UHFFFAOYSA-N 0 0 272.329 3.661 10 0 CHAERN Cc1c(Cl)cccc1N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600880 525759260 /nfs/dbraw/zinc/75/92/60/525759260.db2.gz UFBYTTOEKPSCOP-TXEJJXNPSA-N 0 0 263.768 3.739 10 0 CHAERN Cc1ccc(-c2nc3c(s2)C(=O)CCC3)cc1C ZINC000050329757 525820594 /nfs/dbraw/zinc/82/05/94/525820594.db2.gz QMGDWHWSIHQNHO-UHFFFAOYSA-N 0 0 257.358 3.946 10 0 CHAERN CS[C@@H]1CCCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000125805845 525821241 /nfs/dbraw/zinc/82/12/41/525821241.db2.gz PHRBPFFHUHCCOX-CHWSQXEVSA-N 0 0 296.436 3.576 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCC[C@H]2C)c(Br)c1 ZINC000061694666 525868015 /nfs/dbraw/zinc/86/80/15/525868015.db2.gz QQWVREHYZDEFBG-GHMZBOCLSA-N 0 0 298.224 3.881 10 0 CHAERN Cc1ccc([C@H](C)N[C@H](C)c2csc(C)n2)o1 ZINC000036960578 525943162 /nfs/dbraw/zinc/94/31/62/525943162.db2.gz MGIHWNHEGZINER-ZJUUUORDSA-N 0 0 250.367 3.765 10 0 CHAERN Cc1ccc([C@](C)(O)c2cc(F)cc(F)c2)cc1C ZINC000055193099 526049141 /nfs/dbraw/zinc/04/91/41/526049141.db2.gz ODBXPKARUXRNRT-INIZCTEOSA-N 0 0 262.299 3.837 10 0 CHAERN C[C@H](c1ccc(Cl)s1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626733 526054741 /nfs/dbraw/zinc/05/47/41/526054741.db2.gz RDRZHJXXZGLKFZ-BBBLOLIVSA-N 0 0 269.797 3.658 10 0 CHAERN COc1cccc(C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000061845899 526081251 /nfs/dbraw/zinc/08/12/51/526081251.db2.gz RRXSFLTWLPFQJA-HNNXBMFYSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]32)c(F)c1 ZINC000135148047 526132330 /nfs/dbraw/zinc/13/23/30/526132330.db2.gz VYWMRMSHVNXAMF-IUODEOHRSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H](c1cccs1)N(C)c1cc(N)cc(F)c1 ZINC000049727143 526145618 /nfs/dbraw/zinc/14/56/18/526145618.db2.gz KJEVTCOXJGDXRK-VIFPVBQESA-N 0 0 250.342 3.667 10 0 CHAERN Cc1cc(Br)cc2nc(C3CC3)oc21 ZINC000062536491 526160972 /nfs/dbraw/zinc/16/09/72/526160972.db2.gz CHZSXDLZTZQJJC-UHFFFAOYSA-N 0 0 252.111 3.776 10 0 CHAERN Cc1nn(Cc2ccccc2Br)c(C)c1C ZINC000049600700 526295749 /nfs/dbraw/zinc/29/57/49/526295749.db2.gz BMZHXXCUQNQGLO-UHFFFAOYSA-N 0 0 279.181 3.619 10 0 CHAERN O[C@H](Cc1ccc(Cl)s1)Cc1cc(F)cc(F)c1 ZINC000053785985 526296255 /nfs/dbraw/zinc/29/62/55/526296255.db2.gz BQGYOWVXAGDHIA-NSHDSACASA-N 0 0 288.746 3.826 10 0 CHAERN O[C@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774106 526299602 /nfs/dbraw/zinc/29/96/02/526299602.db2.gz ACUTXIRNUQITBX-CYBMUJFWSA-N 0 0 270.225 3.926 10 0 CHAERN Cc1csc(-c2ccc(NC(=O)N[C@H]3C[C@@H]3C)cc2)n1 ZINC000076037146 526301710 /nfs/dbraw/zinc/30/17/10/526301710.db2.gz QNLHRCCWYBIKTN-ZANVPECISA-N 0 0 287.388 3.648 10 0 CHAERN Fc1cc(Cl)ccc1NCCOc1ccccc1 ZINC000049136470 526302451 /nfs/dbraw/zinc/30/24/51/526302451.db2.gz RPAHIPYJQRYCIZ-UHFFFAOYSA-N 0 0 265.715 3.970 10 0 CHAERN Fc1ccc2oc(CN3CCC[C@H]3c3ccco3)nc2c1 ZINC000151533407 526378129 /nfs/dbraw/zinc/37/81/29/526378129.db2.gz AXWITFLQBCMSPC-ZDUSSCGKSA-N 0 0 286.306 3.897 10 0 CHAERN Fc1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000135769755 526395615 /nfs/dbraw/zinc/39/56/15/526395615.db2.gz WQEMNUJSWZNZOZ-DTWKUNHWSA-N 0 0 262.250 3.754 10 0 CHAERN Fc1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000135769791 526396164 /nfs/dbraw/zinc/39/61/64/526396164.db2.gz WQEMNUJSWZNZOZ-IUCAKERBSA-N 0 0 262.250 3.754 10 0 CHAERN Cc1nc(-c2cccc(NCC3CCOCC3)c2)cs1 ZINC000052177365 526594340 /nfs/dbraw/zinc/59/43/40/526594340.db2.gz PTHRSUAHESYPLI-UHFFFAOYSA-N 0 0 288.416 3.957 10 0 CHAERN O=C(CCc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000054669122 526622306 /nfs/dbraw/zinc/62/23/06/526622306.db2.gz MCQGFZZKOHSPJD-MRXNPFEDSA-N 0 0 254.329 3.901 10 0 CHAERN O=C(c1ccncc1)c1cccc(Cl)c1Cl ZINC000055199265 526851061 /nfs/dbraw/zinc/85/10/61/526851061.db2.gz BJTKVNUODKCCRB-UHFFFAOYSA-N 0 0 252.100 3.619 10 0 CHAERN Cc1nc(CNc2ccc(C(F)(F)F)cn2)c(C)s1 ZINC000301846644 526897917 /nfs/dbraw/zinc/89/79/17/526897917.db2.gz UJYRLJAGNNHQJQ-UHFFFAOYSA-N 0 0 287.310 3.786 10 0 CHAERN Cc1nc(Cc2ccccc2Cl)nc(N)c1C(C)C ZINC000061687256 526927538 /nfs/dbraw/zinc/92/75/38/526927538.db2.gz MGRIPQYXBKTZNJ-UHFFFAOYSA-N 0 0 275.783 3.735 10 0 CHAERN Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@@H](C)O ZINC000061681820 526928223 /nfs/dbraw/zinc/92/82/23/526928223.db2.gz VBNXQGWHHLOLKW-GFCCVEGCSA-N 0 0 261.390 3.712 10 0 CHAERN O=C1CCCC[C@@H]1c1cccc(Br)c1 ZINC000062624957 526971784 /nfs/dbraw/zinc/97/17/84/526971784.db2.gz FIZBQUWTWGNXBC-LLVKDONJSA-N 0 0 253.139 3.676 10 0 CHAERN O=C1CCCC[C@@H]1c1ccccc1Br ZINC000062624961 526972002 /nfs/dbraw/zinc/97/20/02/526972002.db2.gz MFBQZDFSKORVFG-SNVBAGLBSA-N 0 0 253.139 3.676 10 0 CHAERN O=C1CCCC[C@@H]1CCOc1ccc(Br)cc1 ZINC000049596758 526972691 /nfs/dbraw/zinc/97/26/91/526972691.db2.gz HGWNETBRKXXDIY-LLVKDONJSA-N 0 0 297.192 3.977 10 0 CHAERN O=C1CCCc2c1ccn2[C@H]1CCCc2sccc21 ZINC000061366761 526984768 /nfs/dbraw/zinc/98/47/68/526984768.db2.gz DGQVGZBBVNWPHL-AWEZNQCLSA-N 0 0 271.385 3.994 10 0 CHAERN Cc1nc([C@@H](C)N[C@@H](C)c2cccs2)cs1 ZINC000036915423 527032354 /nfs/dbraw/zinc/03/23/54/527032354.db2.gz NCQJOVRPIIUBNA-BDAKNGLRSA-N 0 0 252.408 3.925 10 0 CHAERN Cc1nc([C@@H](C)Nc2ncccc2Br)cs1 ZINC000309828138 527035230 /nfs/dbraw/zinc/03/52/30/527035230.db2.gz XVMDXVCPYYMERA-SSDOTTSWSA-N 0 0 298.209 3.782 10 0 CHAERN Cc1nc([C@@H](C)Nc2ccccc2[C@@H](C)O)cs1 ZINC000049542885 527035416 /nfs/dbraw/zinc/03/54/16/527035416.db2.gz YRWFLKSWSQIFNJ-NXEZZACHSA-N 0 0 262.378 3.678 10 0 CHAERN Cc1nc2cc(N3CCC[C@@H](C)[C@@H]3C)c(N)cc2s1 ZINC000050564107 527123424 /nfs/dbraw/zinc/12/34/24/527123424.db2.gz YAAUHKQDNXSCTC-ZJUUUORDSA-N 0 0 275.421 3.812 10 0 CHAERN CC(C)(c1noc([C@H]2CCC(=O)c3cccn32)n1)C1CCC1 ZINC000333048948 527383292 /nfs/dbraw/zinc/38/32/92/527383292.db2.gz BSDUVOPLWYHCBH-CYBMUJFWSA-N 0 0 299.374 3.515 10 0 CHAERN Nc1c(Cl)cc(Cl)cc1-c1nc(-c2ccco2)no1 ZINC000054444896 527431130 /nfs/dbraw/zinc/43/11/30/527431130.db2.gz FXBNGIVMVSSWSL-UHFFFAOYSA-N 0 0 296.113 3.886 10 0 CHAERN Nc1ccc(OCc2cccs2)cc1C(F)(F)F ZINC000049584495 527497321 /nfs/dbraw/zinc/49/73/21/527497321.db2.gz AWZWKCVENGWAJX-UHFFFAOYSA-N 0 0 273.279 3.928 10 0 CHAERN Nc1ccc2oc(Cc3cccc(Cl)c3)nc2c1 ZINC000052944743 527510676 /nfs/dbraw/zinc/51/06/76/527510676.db2.gz KNAOZSPNVOIDSP-UHFFFAOYSA-N 0 0 258.708 3.654 10 0 CHAERN Nc1nc(CSc2ccccc2)nc2sccc21 ZINC000050833813 527552703 /nfs/dbraw/zinc/55/27/03/527552703.db2.gz HHQZWOSJIAITAW-UHFFFAOYSA-N 0 0 273.386 3.566 10 0 CHAERN O[C@@H](c1ccc(Cl)cc1)c1cccc(F)c1F ZINC000054213446 527666249 /nfs/dbraw/zinc/66/62/49/527666249.db2.gz FXVLPKVMVNOLHL-ZDUSSCGKSA-N 0 0 254.663 3.700 10 0 CHAERN O[C@H](CC1CCOCC1)c1cccc2ccccc21 ZINC000054438723 527683624 /nfs/dbraw/zinc/68/36/24/527683624.db2.gz XMOPTDSQUAOAMR-QGZVFWFLSA-N 0 0 256.345 3.690 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000087409032 527700318 /nfs/dbraw/zinc/70/03/18/527700318.db2.gz VFPWNVNCYFOVLI-QMMMGPOBSA-N 0 0 299.296 3.642 10 0 CHAERN CC1(C)C[C@H]1c1noc([C@H]2CC23CCSCC3)n1 ZINC000334541521 527767307 /nfs/dbraw/zinc/76/73/07/527767307.db2.gz DGJISUGCQVOVNB-VHSXEESVSA-N 0 0 264.394 3.584 10 0 CHAERN CCSC[C@H](C)N(C)c1nc(CC)nc2sccc21 ZINC000301846258 529196002 /nfs/dbraw/zinc/19/60/02/529196002.db2.gz UFIATWZQUXIZQX-JTQLQIEISA-N 0 0 295.477 3.832 10 0 CHAERN S=c1ccc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000236695512 570244813 /nfs/dbraw/zinc/24/48/13/570244813.db2.gz BRUJYOUXDYGNNW-UHFFFAOYSA-N 0 0 257.145 3.739 10 0 CHAERN COC(OC)[C@@H](C)Sc1ccccc1Br ZINC000616572061 570408962 /nfs/dbraw/zinc/40/89/62/570408962.db2.gz JHSUOCGEBFBKIM-MRVPVSSYSA-N 0 0 291.210 3.549 10 0 CHAERN Clc1nc(C(Cl)(Cl)Cl)nc2c1CSC2 ZINC000685959886 566823850 /nfs/dbraw/zinc/82/38/50/566823850.db2.gz UNXKSYIOCLULTF-UHFFFAOYSA-N 0 0 290.002 3.704 10 0 CHAERN Cc1cc(-c2ccc(Br)cc2)cc(F)n1 ZINC000667385470 566933693 /nfs/dbraw/zinc/93/36/93/566933693.db2.gz LGSXSNAJIKEYJG-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN CC(=O)C[C@H](C)Sc1cccc(Br)c1 ZINC000082794416 566943716 /nfs/dbraw/zinc/94/37/16/566943716.db2.gz VSEWTRJWWHGHKI-VIFPVBQESA-N 0 0 273.195 3.909 10 0 CHAERN O=C(c1ccccc1)c1cc(Cl)ncc1Cl ZINC000000400024 566946502 /nfs/dbraw/zinc/94/65/02/566946502.db2.gz MPGTWOBJHXAXOG-UHFFFAOYSA-N 0 0 252.100 3.619 10 0 CHAERN O=C1[C@@H]2[C@@H](C[C@@H]2c2ccc(F)cc2)CN1Cc1ccccc1 ZINC000669372338 566949251 /nfs/dbraw/zinc/94/92/51/566949251.db2.gz MKUKVMKYVKARPS-CGTJXYLNSA-N 0 0 295.357 3.588 10 0 CHAERN CCC(CC)N=[S@@](=O)(c1cccc(N)c1)N(C)C(C)C ZINC000675075194 567024711 /nfs/dbraw/zinc/02/47/11/567024711.db2.gz MNUGVZAJKMPNFV-FQEVSTJZSA-N 0 0 297.468 3.540 10 0 CHAERN CC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 ZINC000259487379 567111179 /nfs/dbraw/zinc/11/11/79/567111179.db2.gz POKHGNLPWWNFQB-UHFFFAOYSA-N 0 0 269.728 3.890 10 0 CHAERN CCC(C)(C)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685962136 567210577 /nfs/dbraw/zinc/21/05/77/567210577.db2.gz VVIPQUXQWRIRPT-ZDUSSCGKSA-N 0 0 291.391 3.697 10 0 CHAERN C=CCSCC(=O)c1cccc(Br)c1 ZINC000388696676 567218909 /nfs/dbraw/zinc/21/89/09/567218909.db2.gz MLUYAVZEUODBGC-UHFFFAOYSA-N 0 0 271.179 3.551 10 0 CHAERN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000002036738 567843911 /nfs/dbraw/zinc/84/39/11/567843911.db2.gz VOXZDWNPVJITMN-FLXSYLCISA-N 0 0 272.388 3.609 10 0 biogenic,in-vitro CHAERN Cc1c(C=O)c2ccccn2c1C(=O)c1ccccc1Cl ZINC000002522275 567847528 /nfs/dbraw/zinc/84/75/28/567847528.db2.gz RBQULCZBYXGJHP-UHFFFAOYSA-N 0 0 297.741 3.945 10 0 CHAERN Fc1cccc(F)c1COCc1c(F)cccc1F ZINC000003172365 567851971 /nfs/dbraw/zinc/85/19/71/567851971.db2.gz UEGXABPZEXKSPG-UHFFFAOYSA-N 0 0 270.225 3.960 10 0 CHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(C)c2)c1 ZINC000003481228 567852650 /nfs/dbraw/zinc/85/26/50/567852650.db2.gz LEBUYAILCLENAQ-JXMROGBWSA-N 0 0 297.354 3.664 10 0 CHAERN CC/C(=C\c1cc(Br)cs1)[N+](=O)[O-] ZINC000042906030 567891959 /nfs/dbraw/zinc/89/19/59/567891959.db2.gz NOUNFDINPKJINR-QPJJXVBHSA-N 0 0 262.128 3.538 10 0 CHAERN Brc1ccc2ncn(C3CCC3)c2c1 ZINC000237992386 567894893 /nfs/dbraw/zinc/89/48/93/567894893.db2.gz XEKSUJMRNKUYKM-UHFFFAOYSA-N 0 0 251.127 3.524 10 0 CHAERN Fc1cccc(Cl)c1-c1cc(Br)ncn1 ZINC000409429393 567899733 /nfs/dbraw/zinc/89/97/33/567899733.db2.gz JKYOKYYZKKMUAA-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN Nc1ccc(Cl)cc1-c1cc(Cl)cnc1F ZINC000725241198 567907937 /nfs/dbraw/zinc/90/79/37/567907937.db2.gz AKDGWNZZXDJVBK-UHFFFAOYSA-N 0 0 257.095 3.777 10 0 CHAERN Cc1c(Cl)ccc(I)c1Cl ZINC000094568763 567908809 /nfs/dbraw/zinc/90/88/09/567908809.db2.gz MASVEKJPYGDTGF-UHFFFAOYSA-N 0 0 286.927 3.906 10 0 CHAERN C[C@]12C[C@H](c3ccccc3)[C@@H]1C(=O)N(Cc1ccccc1)C2 ZINC000725262648 567922963 /nfs/dbraw/zinc/92/29/63/567922963.db2.gz NEFGMXAGRPULNG-QWFCFKBJSA-N 0 0 291.394 3.839 10 0 CHAERN C[C@@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265689 567923572 /nfs/dbraw/zinc/92/35/72/567923572.db2.gz UKHBHSHFNLUYFV-SECBINFHSA-N 0 0 291.192 3.964 10 0 CHAERN CCC(F)(F)c1n[nH]c(=S)n1C1CCCCC1 ZINC000725265883 567923630 /nfs/dbraw/zinc/92/36/30/567923630.db2.gz SHQWRHGKYADUNU-UHFFFAOYSA-N 0 0 261.341 3.574 10 0 CHAERN COC(C)(C)c1nc2cccc(Br)c2cc1O ZINC000725267734 567923964 /nfs/dbraw/zinc/92/39/64/567923964.db2.gz UTKNUWSFQINTGP-UHFFFAOYSA-N 0 0 296.164 3.584 10 0 CHAERN CCc1ccc2c(c1)C[C@H](O)[C@H](C1CCCCC1)N2 ZINC000725267993 567924154 /nfs/dbraw/zinc/92/41/54/567924154.db2.gz DVSLHNXDKYOHBH-IRXDYDNUSA-N 0 0 259.393 3.527 10 0 CHAERN Cn1cc(C(F)F)c(-c2cccc(Cl)c2F)n1 ZINC000725270714 567924671 /nfs/dbraw/zinc/92/46/71/567924671.db2.gz RKLGBGQOONROFK-UHFFFAOYSA-N 0 0 260.646 3.817 10 0 CHAERN CC(C)[NH+](C(C)C)[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000725271490 567925000 /nfs/dbraw/zinc/92/50/00/567925000.db2.gz NRYHJZQCGXZFTQ-WOPDTQHZSA-N 0 0 295.345 3.537 10 0 CHAERN CCNc1c(N)cnc2cc(Cl)c(Cl)c(Cl)c21 ZINC000584882380 570229401 /nfs/dbraw/zinc/22/94/01/570229401.db2.gz FKFADLINNBDYMK-UHFFFAOYSA-N 0 0 290.581 3.631 10 0 CHAERN COC(=O)c1ccccc1COCc1ccccc1Cl ZINC000035973476 570232993 /nfs/dbraw/zinc/23/29/93/570232993.db2.gz CIVZWFOFIKEKPD-UHFFFAOYSA-N 0 0 290.746 3.843 10 0 CHAERN CC(C)n1nc(-c2ccsc2)c2c1CCSC2 ZINC000409440586 570245014 /nfs/dbraw/zinc/24/50/14/570245014.db2.gz UOJHDOURPWZSNV-UHFFFAOYSA-N 0 0 264.419 3.982 10 0 CHAERN CC(C)c1nc2cc(C(C)C)cc(Br)n2n1 ZINC000725248257 570256075 /nfs/dbraw/zinc/25/60/75/570256075.db2.gz PQTVLUXMKGIBGN-UHFFFAOYSA-N 0 0 282.185 3.739 10 0 CHAERN CCOc1ccc(-c2ccc(Cl)nn2)cc1OCC ZINC000088674673 570273995 /nfs/dbraw/zinc/27/39/95/570273995.db2.gz IRERUAMIDZCPFX-UHFFFAOYSA-N 0 0 278.739 3.594 10 0 CHAERN CCN1CCO[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000048547126 570298577 /nfs/dbraw/zinc/29/85/77/570298577.db2.gz ZPERLSNOHOAQQL-SFHVURJKSA-N 0 0 283.371 3.616 10 0 CHAERN O=C1CC2(CCC2)Oc2c(Cl)cc(Cl)cc21 ZINC000087493453 570337298 /nfs/dbraw/zinc/33/72/98/570337298.db2.gz CBMHTMNEVVLUDZ-UHFFFAOYSA-N 0 0 257.116 3.881 10 0 CHAERN Fc1cc(Cl)ccc1-c1cnc(Br)cn1 ZINC000669382617 570352901 /nfs/dbraw/zinc/35/29/01/570352901.db2.gz DIKVJPJOVFFTGE-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN CCC1(CC)C(=O)[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384313 570352913 /nfs/dbraw/zinc/35/29/13/570352913.db2.gz SJGKVWNCQXXPAF-QWHCGFSZSA-N 0 0 295.423 3.781 10 0 CHAERN Fc1c(Cl)nc(C(Cl)(Cl)Cl)nc1Cl ZINC000226002444 570371879 /nfs/dbraw/zinc/37/18/79/570371879.db2.gz JVRRXMMCYSMDQG-UHFFFAOYSA-N 0 0 284.332 3.749 10 0 CHAERN CCCc1nn2c(c1Br)NCC[C@H]2C(C)C ZINC000233389129 570411365 /nfs/dbraw/zinc/41/13/65/570411365.db2.gz NYVQFWGQJJXYRZ-JTQLQIEISA-N 0 0 286.217 3.611 10 0 CHAERN CC(C)CCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406031970 570411547 /nfs/dbraw/zinc/41/15/47/570411547.db2.gz VYVNGHFMQBURHZ-AWEZNQCLSA-N 0 0 291.391 3.697 10 0 CHAERN C[C@H](NC(=O)OCc1ccccc1)C(=O)CCC(C)(C)C ZINC000406025447 570411900 /nfs/dbraw/zinc/41/19/00/570411900.db2.gz QIMNRVLFZRPQJL-ZDUSSCGKSA-N 0 0 291.391 3.697 10 0 CHAERN O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1 ZINC000013538893 581099564 /nfs/dbraw/zinc/09/95/64/581099564.db2.gz IQNTXIMXKCURDC-YBEGLDIGSA-N 0 0 287.322 3.569 10 0 in-vitro CHAERN C[C@H]1CCC(C)(C)C[C@H]1[NH2+]Cc1ccccc1C(=O)[O-] ZINC000717530381 955142860 /nfs/dbraw/zinc/14/28/60/955142860.db2.gz GHLPIIQJCROYKQ-SWLSCSKDSA-N 0 0 275.392 3.689 10 0 CHAERN CCC(CC)CNC(=O)Nc1cccc([C@H](C)OC)c1 ZINC000105032751 1125475180 /nfs/dbraw/zinc/47/51/80/1125475180.db2.gz MJUKWNDXHHDYMB-LBPRGKRZSA-N 0 0 278.396 3.952 10 0 CHAERN CC(C)CC1([NH2+]Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000701907456 977053029 /nfs/dbraw/zinc/05/30/29/977053029.db2.gz CBUDTEIACXJLAP-UHFFFAOYSA-N 0 0 281.783 3.707 10 0 CHAERN CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711617740 977556542 /nfs/dbraw/zinc/55/65/42/977556542.db2.gz QTTMBWKJVSNKRM-LZWOXQAQSA-N 0 0 267.413 3.532 10 0 CHAERN CC(C)Oc1ccc(NC[C@H]2CCCOC2)cc1Cl ZINC000104421887 1122988883 /nfs/dbraw/zinc/98/88/83/1122988883.db2.gz BYXDXDBJQCPMCD-GFCCVEGCSA-N 0 0 283.799 3.966 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)cs1 ZINC000187078198 1126908422 /nfs/dbraw/zinc/90/84/22/1126908422.db2.gz TZTJRFFVSMWFCL-SCOAYWHSSA-N 0 0 298.411 3.828 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(C)c2)cs1 ZINC000187058319 1126908769 /nfs/dbraw/zinc/90/87/69/1126908769.db2.gz XIIAJIAKWFBGDZ-HNNXBMFYSA-N 0 0 286.400 3.737 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1C[C@@H]2CCCCC[C@H]21 ZINC000362841844 1127651337 /nfs/dbraw/zinc/65/13/37/1127651337.db2.gz WYNZMAOPYUYKJJ-DZGCQCFKSA-N 0 0 268.360 3.573 10 0 CHAERN CCCOc1cccc(NC(=O)/C=C\c2ncccc2C)c1 ZINC000588451996 1118798411 /nfs/dbraw/zinc/79/84/11/1118798411.db2.gz ANFUDJZNKSDMFY-KTKRTIGZSA-N 0 0 296.370 3.831 10 0 CHAERN CCN(C(=O)/C=C\c1ncccc1C)[C@@H]1CCCC[C@@H]1C ZINC000588452652 1118798577 /nfs/dbraw/zinc/79/85/77/1118798577.db2.gz MBVNEUAJQMYZBJ-VTCQZUJXSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC23CCCC3)cs1 ZINC000335848600 1118799093 /nfs/dbraw/zinc/79/90/93/1118799093.db2.gz VALKQIIZFAPFNO-OCCSQVGLSA-N 0 0 290.432 3.695 10 0 CHAERN CCc1ccc(OC(=O)/C=C\c2ncccc2C)c(OC)c1 ZINC000588453740 1118800116 /nfs/dbraw/zinc/80/01/16/1118800116.db2.gz RGDNVBHNVKGPFS-NTMALXAHSA-N 0 0 297.354 3.580 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@H](c1ccccn1)C(C)C ZINC000588456386 1118803469 /nfs/dbraw/zinc/80/34/69/1118803469.db2.gz DEGAEHLZROWZHA-LPADLIQXSA-N 0 0 296.370 3.739 10 0 CHAERN O=C(Nc1cnc(C2CC2)nc1)c1cccc2ccccc21 ZINC000103019943 1118954290 /nfs/dbraw/zinc/95/42/90/1118954290.db2.gz ZIEHSSFLXJIZRO-UHFFFAOYSA-N 0 0 289.338 3.760 10 0 CHAERN C[C@@H](COC(=O)/C=C\c1cccnc1)Cc1ccc(F)cc1 ZINC000588492684 1118980288 /nfs/dbraw/zinc/98/02/88/1118980288.db2.gz FADOYKSSWQJELV-DEBLGDTFSA-N 0 0 299.345 3.656 10 0 CHAERN Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)sc1C ZINC000336366299 1119048014 /nfs/dbraw/zinc/04/80/14/1119048014.db2.gz VEPFXJKGGXVRAI-AWEZNQCLSA-N 0 0 292.448 3.656 10 0 CHAERN C/C(=C/C(=O)NCCc1cn(C)c2cc(C)ccc12)C1CC1 ZINC000588540478 1119155295 /nfs/dbraw/zinc/15/52/95/1119155295.db2.gz VNEAZIYBVCZBFU-KAMYIIQDSA-N 0 0 296.414 3.502 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)O[C@@H]1CCc2cccnc21 ZINC000588573801 1119333399 /nfs/dbraw/zinc/33/33/99/1119333399.db2.gz LOVZWCRXLGVYTC-WKTRQSJXSA-N 0 0 299.757 3.979 10 0 CHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCCC(=O)N2)n1 ZINC000329588986 1119441612 /nfs/dbraw/zinc/44/16/12/1119441612.db2.gz NDEIOGDSVMRKRX-VWYCJHECSA-N 0 0 263.341 3.545 10 0 CHAERN COc1c(C)cc(C[N@H+](C)Cc2cnc(C)s2)cc1C ZINC000101566113 1119660481 /nfs/dbraw/zinc/66/04/81/1119660481.db2.gz OFRHWYWMRQDUIB-UHFFFAOYSA-N 0 0 290.432 3.709 10 0 CHAERN C[C@@H](OC(=O)C1CCC1)c1cnc2ccccc2c1 ZINC000102133395 1122885012 /nfs/dbraw/zinc/88/50/12/1122885012.db2.gz JVALFYINKGZCSN-LLVKDONJSA-N 0 0 255.317 3.639 10 0 CHAERN O=C(Nc1ccc(O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000105508234 1123054415 /nfs/dbraw/zinc/05/44/15/1123054415.db2.gz ZNVKLPAHWABDMK-UHFFFAOYSA-N 0 0 296.301 3.574 10 0 CHAERN CCOCCO[C@@H](C)C(=O)Oc1ccc([C@@H](C)CC)cc1 ZINC000105755264 1123066211 /nfs/dbraw/zinc/06/62/11/1123066211.db2.gz QCHJIJFVDMTRHD-KBPBESRZSA-N 0 0 294.391 3.547 10 0 CHAERN CCC(C)(C)c1ccc(OC(=O)c2ncoc2C)cc1 ZINC000105755046 1123066333 /nfs/dbraw/zinc/06/63/33/1123066333.db2.gz TXNURNXCUMDKJU-UHFFFAOYSA-N 0 0 273.332 3.890 10 0 CHAERN CCOCCO[C@H](C)C(=O)Oc1ccc([C@@H](C)CC)cc1 ZINC000105755258 1123066359 /nfs/dbraw/zinc/06/63/59/1123066359.db2.gz QCHJIJFVDMTRHD-UONOGXRCSA-N 0 0 294.391 3.547 10 0 CHAERN Cc1ccc(CC(=O)Oc2ccccc2OC(F)F)s1 ZINC000105982267 1123095342 /nfs/dbraw/zinc/09/53/42/1123095342.db2.gz IPXLJDAINVEVFL-UHFFFAOYSA-N 0 0 298.310 3.806 10 0 CHAERN Cc1cc(NC(=O)c2cccn2C2CCCC2)ccc1O ZINC000182602071 1123175078 /nfs/dbraw/zinc/17/50/78/1123175078.db2.gz SWDJCSPEKXAOEB-UHFFFAOYSA-N 0 0 284.359 3.870 10 0 CHAERN Cc1cc([C@@H](C)N[C@H](C)c2nc(C(C)(C)C)no2)c(C)o1 ZINC000183793704 1123193995 /nfs/dbraw/zinc/19/39/95/1123193995.db2.gz ZJGMHXWAQXTRSE-GHMZBOCLSA-N 0 0 291.395 3.989 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)C[C@H]1C ZINC000335676513 1123392863 /nfs/dbraw/zinc/39/28/63/1123392863.db2.gz QVDLRHILNQIYPN-LLVKDONJSA-N 0 0 293.798 3.840 10 0 CHAERN Cc1ccc(C(=O)N2CCOc3ccccc32)cc1Cl ZINC000102986521 1123596179 /nfs/dbraw/zinc/59/61/79/1123596179.db2.gz XUBQYHMYGLAJLL-UHFFFAOYSA-N 0 0 287.746 3.688 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@H]2CCC(C)(C)O2)n1 ZINC000329754119 1123652341 /nfs/dbraw/zinc/65/23/41/1123652341.db2.gz KORRBQJDLLQOCZ-JHJVBQTASA-N 0 0 294.395 3.795 10 0 CHAERN CC1(C)C[C@H]1c1noc(-c2noc3c2CCCCC3)n1 ZINC000329757835 1123652860 /nfs/dbraw/zinc/65/28/60/1123652860.db2.gz NFYZQFBKCSTPDE-JTQLQIEISA-N 0 0 273.336 3.507 10 0 CHAERN O=C(c1cc(Cl)c2ccccc2n1)N1C[C@H]2CCC[C@H]21 ZINC000449903499 1124890370 /nfs/dbraw/zinc/89/03/70/1124890370.db2.gz BKGDNIOLOVWURA-MEBBXXQBSA-N 0 0 286.762 3.513 10 0 CHAERN CCCCC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207301 1125323549 /nfs/dbraw/zinc/32/35/49/1125323549.db2.gz BOJFMERVFJFCDA-LBPRGKRZSA-N 0 0 281.346 3.861 10 0 CHAERN CC(C)Oc1ccc(CCCOC(=O)c2cccnc2)cc1 ZINC000103674802 1131967132 /nfs/dbraw/zinc/96/71/32/1131967132.db2.gz NFZXSPRDFIWXBT-UHFFFAOYSA-N 0 0 299.370 3.658 10 0 CHAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000004074069 230368602 /nfs/dbraw/zinc/36/86/02/230368602.db2.gz ULAADVBNYHGIBP-APAFKAMOSA-N 0 0 286.415 3.912 10 0 CHAERN O=C(NCCC1CCCCC1)Nc1ccc2c[nH]nc2c1 ZINC000095583542 185012159 /nfs/dbraw/zinc/01/21/59/185012159.db2.gz PFROEVUKWMTSNP-UHFFFAOYSA-N 0 0 286.379 3.655 10 0 CHAERN CC(C)(C)c1nccc(OC2CC2)c1Br ZINC000095724342 185020452 /nfs/dbraw/zinc/02/04/52/185020452.db2.gz YVHIBLLBCOCUIB-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)Oc1ccc(OC2CC2)cc1Br ZINC000095724348 185020498 /nfs/dbraw/zinc/02/04/98/185020498.db2.gz SPGREAQBIRMOPV-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CSc1cc(OC2CC2)ccc1Br ZINC000095732213 185022696 /nfs/dbraw/zinc/02/26/96/185022696.db2.gz BXAYEVMKESVWTF-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN Clc1ncc(-c2ccc(Br)cc2)o1 ZINC000095761432 185026172 /nfs/dbraw/zinc/02/61/72/185026172.db2.gz SCTOIAATFFMPML-UHFFFAOYSA-N 0 0 258.502 3.758 10 0 CHAERN FC(F)(F)c1ccc(Br)nc1Cl ZINC000095763743 185026227 /nfs/dbraw/zinc/02/62/27/185026227.db2.gz JTMOVCZBQJEIDB-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN CCc1nc(Cl)cc(N[C@H](C)c2ccc(OC)cc2)n1 ZINC000082509521 178075866 /nfs/dbraw/zinc/07/58/66/178075866.db2.gz AIEUIOQBNBBFNZ-SNVBAGLBSA-N 0 0 291.782 3.874 10 0 CHAERN CC(C)CCNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509733 178076713 /nfs/dbraw/zinc/07/67/13/178076713.db2.gz MQPWSHSPXGGTDS-UHFFFAOYSA-N 0 0 255.793 3.886 10 0 CHAERN C[C@H](CSC(F)(F)F)NC(=O)OCc1ccccc1 ZINC000095918478 185030859 /nfs/dbraw/zinc/03/08/59/185030859.db2.gz FCOKAVPKKDPGKU-SECBINFHSA-N 0 0 293.310 3.554 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(F)cc(Cl)c1F ZINC000095930270 185031952 /nfs/dbraw/zinc/03/19/52/185031952.db2.gz IIZKSRAPDUPLRQ-UHFFFAOYSA-N 0 0 263.671 3.965 10 0 CHAERN CC(C)(C)OC(=O)NC[C@@H]1CCc2ccc(Cl)cc21 ZINC000095930547 185032543 /nfs/dbraw/zinc/03/25/43/185032543.db2.gz XPIDTAMFETWZMK-NSHDSACASA-N 0 0 281.783 3.895 10 0 CHAERN COC(=O)c1cc2c(cc(Br)cc2F)s1 ZINC000095935932 185034426 /nfs/dbraw/zinc/03/44/26/185034426.db2.gz XEGDUZMNLBMBHT-UHFFFAOYSA-N 0 0 289.125 3.590 10 0 CHAERN CC[C@@H](C)Nc1ccc(Br)c(OC)c1 ZINC000096034148 185068233 /nfs/dbraw/zinc/06/82/33/185068233.db2.gz RFVRAFNUMNUSEZ-MRVPVSSYSA-N 0 0 258.159 3.668 10 0 CHAERN CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000082718601 178233833 /nfs/dbraw/zinc/23/38/33/178233833.db2.gz YYTUSUNHSLVBTO-MRVPVSSYSA-N 0 0 257.177 3.528 10 0 CHAERN Cc1ccc2c(C)cc(Br)nc2c1C ZINC000082788559 178293564 /nfs/dbraw/zinc/29/35/64/178293564.db2.gz MHIBXRXFJRJNDI-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN CC[C@@H](O)c1cc2cc(Br)ccc2o1 ZINC000083160723 178345121 /nfs/dbraw/zinc/34/51/21/178345121.db2.gz FGDYGMMRKYVPDH-SECBINFHSA-N 0 0 255.111 3.639 10 0 CHAERN Oc1cccc(NCc2cc(Cl)ccc2F)c1 ZINC000083385644 178394634 /nfs/dbraw/zinc/39/46/34/178394634.db2.gz XONCPXFCWKHXOH-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NC(=O)N2CCCC2)cc1 ZINC000096997558 185149782 /nfs/dbraw/zinc/14/97/82/185149782.db2.gz GXDQKGOFWVWSCU-AWEZNQCLSA-N 0 0 274.408 3.752 10 0 CHAERN Cc1cnccc1-c1nc(-c2ccc(N)cc2)cs1 ZINC000083495454 178523781 /nfs/dbraw/zinc/52/37/81/178523781.db2.gz WONMSTLWGPRDQI-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN Cc1cc(N2C[C@H](C)Cc3ccccc32)nc(Cl)n1 ZINC000104163994 136526001 /nfs/dbraw/zinc/52/60/01/136526001.db2.gz GYTPNYHKASJKKY-SNVBAGLBSA-N 0 0 273.767 3.769 10 0 CHAERN CCOC(=O)c1ccc2nc(-c3ccc(CC)cc3)cn2c1 ZINC000085347585 179029065 /nfs/dbraw/zinc/02/90/65/179029065.db2.gz YTYPDTOPQGIREN-UHFFFAOYSA-N 0 0 294.354 3.740 10 0 CHAERN CCOC(=O)c1c(N)sc(-c2ccccc2)c1Cl ZINC000098181229 185699067 /nfs/dbraw/zinc/69/90/67/185699067.db2.gz DGTQGILYTMBQJA-UHFFFAOYSA-N 0 0 281.764 3.827 10 0 CHAERN CCC[C@H](CC)Nc1ccc(N)c(OC(C)(C)C)n1 ZINC000103937493 185864550 /nfs/dbraw/zinc/86/45/50/185864550.db2.gz VURGAJUWPXVJQP-NSHDSACASA-N 0 0 265.401 3.832 10 0 CHAERN CCCc1nc2sc3c(c2c(NCC)n1)CCCC3 ZINC000103983465 185875216 /nfs/dbraw/zinc/87/52/16/185875216.db2.gz JRGLIICTKFQPSB-UHFFFAOYSA-N 0 0 275.421 3.954 10 0 CHAERN CCCc1cccc2c(=O)c3c([nH]c12)CCCCC3 ZINC000104063193 185889927 /nfs/dbraw/zinc/88/99/27/185889927.db2.gz KNKGRZAMSOYRPZ-UHFFFAOYSA-N 0 0 255.361 3.750 10 0 CHAERN Cc1ccc(CNc2cnnc3ccccc32)s1 ZINC000104103123 185895184 /nfs/dbraw/zinc/89/51/84/185895184.db2.gz HVTSOXNXKMDFCV-UHFFFAOYSA-N 0 0 255.346 3.612 10 0 CHAERN COc1cc(Oc2cc(C)ccc2C)c(N)cc1F ZINC000104126531 185899182 /nfs/dbraw/zinc/89/91/82/185899182.db2.gz OAZMNZNHHMPCTK-UHFFFAOYSA-N 0 0 261.296 3.826 10 0 CHAERN CCOc1cc(N2CCCC[C@@H]2CC)c(N)cc1F ZINC000104127698 185900361 /nfs/dbraw/zinc/90/03/61/185900361.db2.gz PVFJRFFHKPCBDO-NSHDSACASA-N 0 0 266.360 3.576 10 0 CHAERN COc1cc(N[C@H](C)C2CCCCC2)c(N)cc1F ZINC000104137612 185907853 /nfs/dbraw/zinc/90/78/53/185907853.db2.gz OOJGSQAZKFMMSC-SNVBAGLBSA-N 0 0 266.360 3.797 10 0 CHAERN Cc1c2cnn([C@@H]3CCCCO3)c2ccc1Br ZINC000087493375 179435442 /nfs/dbraw/zinc/43/54/42/179435442.db2.gz BLULUEKZLRADOB-ZDUSSCGKSA-N 0 0 295.180 3.806 10 0 CHAERN CCCN(CC1CC1)c1cc(Br)ccc1C=O ZINC000104184650 185918236 /nfs/dbraw/zinc/91/82/36/185918236.db2.gz XKMFSPWYZRCDNX-UHFFFAOYSA-N 0 0 296.208 3.888 10 0 CHAERN Cc1nc(Cl)c(C)c(Nc2cc(F)c(F)c(F)c2)n1 ZINC000104214145 185933615 /nfs/dbraw/zinc/93/36/15/185933615.db2.gz NGKKGNOBAJCKJJ-UHFFFAOYSA-N 0 0 287.672 3.908 10 0 CHAERN CCCC(CCC)NC(=O)c1ccc2[nH]ccc2c1 ZINC000089208844 179754700 /nfs/dbraw/zinc/75/47/00/179754700.db2.gz CGEGEDKXBIBVOQ-UHFFFAOYSA-N 0 0 258.365 3.867 10 0 CHAERN COc1ccc(C=O)c2cc(-c3ccccc3)oc21 ZINC000090530553 179998369 /nfs/dbraw/zinc/99/83/69/179998369.db2.gz MLLUEKSLVITXGB-UHFFFAOYSA-N 0 0 252.269 3.921 10 0 CHAERN Cc1noc(-c2ccc(Br)cc2)c1C ZINC000090549514 180001521 /nfs/dbraw/zinc/00/15/21/180001521.db2.gz KSRHVJOTSVMAIM-UHFFFAOYSA-N 0 0 252.111 3.721 10 0 CHAERN COc1ccc2c(cccc2-c2csc(N)n2)c1 ZINC000090548405 180001620 /nfs/dbraw/zinc/00/16/20/180001620.db2.gz DHDIVNVRBCMBDO-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN NC(=O)c1cn(CC2CCCCC2)c2c1cccc2Cl ZINC000090585792 180009650 /nfs/dbraw/zinc/00/96/50/180009650.db2.gz LVKORNXRBAYKCW-UHFFFAOYSA-N 0 0 290.794 3.974 10 0 CHAERN Nc1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12 ZINC000090599949 180011379 /nfs/dbraw/zinc/01/13/79/180011379.db2.gz BQQQPQIBKHLDDY-UHFFFAOYSA-N 0 0 250.223 3.922 10 0 CHAERN C[C@H](Cc1nc(-c2cccc(O)c2)no1)C(C)(C)C ZINC000104439262 186002638 /nfs/dbraw/zinc/00/26/38/186002638.db2.gz QSPBNLXVCCFPAZ-SNVBAGLBSA-N 0 0 260.337 3.667 10 0 CHAERN O=C1CCCc2cc(NCc3ccccc3)ccc21 ZINC000091366501 180142930 /nfs/dbraw/zinc/14/29/30/180142930.db2.gz FAIKDTZYKSTSQF-UHFFFAOYSA-N 0 0 251.329 3.818 10 0 CHAERN CCOc1cccc(-c2ccc(-c3c[nH][nH]c3=O)cc2)c1 ZINC000091692425 180228138 /nfs/dbraw/zinc/22/81/38/180228138.db2.gz BJIORFWOGURSKO-UHFFFAOYSA-N 0 0 280.327 3.848 10 0 CHAERN Cc1cc(N)sc1-c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000106037958 186099447 /nfs/dbraw/zinc/09/94/47/186099447.db2.gz MGFHRCTYJCYCMI-WCBMZHEXSA-N 0 0 277.393 3.982 10 0 CHAERN Cc1cc(-c2ccc(Br)cc2)c(N)o1 ZINC000106517914 186123129 /nfs/dbraw/zinc/12/31/29/186123129.db2.gz VNNNTNGYGQPRNS-UHFFFAOYSA-N 0 0 252.111 3.600 10 0 CHAERN CCCNc1cc(CC)nc(-c2ccc(C)cc2)n1 ZINC000111819761 186459482 /nfs/dbraw/zinc/45/94/82/186459482.db2.gz SADGIQDHXSSCLS-UHFFFAOYSA-N 0 0 255.365 3.836 10 0 CHAERN Clc1ss/c(=N/c2ccccn2)c1Cl ZINC000000069946 169525394 /nfs/dbraw/zinc/52/53/94/169525394.db2.gz RRGKLDYMLXTTEX-XYOKQWHBSA-N 0 0 263.174 3.744 10 0 CHAERN Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C ZINC000000415537 169634933 /nfs/dbraw/zinc/63/49/33/169634933.db2.gz LERBRJLVKFXYFJ-UHFFFAOYSA-N 0 0 265.765 3.832 10 0 CHAERN O=C1CCC[C@H](c2ccccc2Br)C1 ZINC000077435421 184591784 /nfs/dbraw/zinc/59/17/84/184591784.db2.gz XFJPERNCKOQTGS-VIFPVBQESA-N 0 0 253.139 3.676 10 0 CHAERN CCN(C(=S)NC(=O)c1ccccc1C)c1ccccc1 ZINC000000511470 169659504 /nfs/dbraw/zinc/65/95/04/169659504.db2.gz AIJIZUIXMMXCSB-UHFFFAOYSA-N 0 0 298.411 3.536 10 0 CHAERN COc1ccc([C@@H](Nc2cc(C)c(C)nn2)C(C)C)cc1 ZINC000302282457 533135386 /nfs/dbraw/zinc/13/53/86/533135386.db2.gz JHLLZZMEYZTTBJ-KRWDZBQOSA-N 0 0 285.391 3.911 10 0 CHAERN COCC[C@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000171207365 335059237 /nfs/dbraw/zinc/05/92/37/335059237.db2.gz RGDFTUHLZRRCBV-UONOGXRCSA-N 0 0 292.423 3.595 10 0 CHAERN CCOC(=O)Cc1cnc(Nc2ccc(Cl)cc2)s1 ZINC000098181430 256840387 /nfs/dbraw/zinc/84/03/87/256840387.db2.gz RRGDGUJBTNWKBX-UHFFFAOYSA-N 0 0 296.779 3.646 10 0 CHAERN Cc1cc(Br)c2ccncc2c1Cl ZINC000521401931 256845266 /nfs/dbraw/zinc/84/52/66/256845266.db2.gz RXOWRCDJMYCFAT-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1cc(O)ccc1NCc1cc(F)c(F)c(F)c1 ZINC000080360528 177645148 /nfs/dbraw/zinc/64/51/48/177645148.db2.gz NBRJGOYLMNDFGY-UHFFFAOYSA-N 0 0 267.250 3.730 10 0 CHAERN CC(C)N(C(=O)N[C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000179635726 260061193 /nfs/dbraw/zinc/06/11/93/260061193.db2.gz ZSCDTWCCCVYEEI-INIZCTEOSA-N 0 0 290.382 3.786 10 0 CHAERN CCCn1ccc2cc(NC(=O)N[C@H]3C[C@H]3C)ccc21 ZINC000171404879 335064840 /nfs/dbraw/zinc/06/48/40/335064840.db2.gz IPTGWOUZWLTIGV-RISCZKNCSA-N 0 0 271.364 3.581 10 0 CHAERN Cc1ccccc1CCC(=O)N[C@H]1CCOc2ccccc21 ZINC000171431061 335065722 /nfs/dbraw/zinc/06/57/22/335065722.db2.gz KVVKOCFVXFRBLL-KRWDZBQOSA-N 0 0 295.382 3.568 10 0 CHAERN c1ccc2c(c1)CCCN2Cc1ccc2c(c1)CCN2 ZINC000036895838 134826288 /nfs/dbraw/zinc/82/62/88/134826288.db2.gz CORUQLUPLYKYEN-UHFFFAOYSA-N 0 0 264.372 3.607 10 0 CHAERN C[C@H](Nc1ccc(F)cc1Br)C1CC1 ZINC000020430508 171195498 /nfs/dbraw/zinc/19/54/98/171195498.db2.gz VLILMCRMZXXZKW-ZETCQYMHSA-N 0 0 258.134 3.799 10 0 CHAERN O=C(Nc1ccc2[nH]ccc2c1)OCc1ccccc1 ZINC000001694179 169744214 /nfs/dbraw/zinc/74/42/14/169744214.db2.gz KPYMUJUAWXIUFD-UHFFFAOYSA-N 0 0 266.300 3.917 10 0 CHAERN CN(C)c1ccc([C@H]2CNN=C2C(=O)c2ccccc2)cc1 ZINC000004707259 170003196 /nfs/dbraw/zinc/00/31/96/170003196.db2.gz RTOXCONWHOTFEV-IAGOWNOFSA-N 0 0 293.370 3.554 10 0 CHAERN Fc1cccc2c(OCCc3ccccc3)ccnc12 ZINC000005117349 170067908 /nfs/dbraw/zinc/06/79/08/170067908.db2.gz LSFOXCHGNMRDKE-UHFFFAOYSA-N 0 0 267.303 3.995 10 0 CHAERN CC(=O)Oc1ccc2c(c1)Sc1ccccc1N2 ZINC000005283696 170082849 /nfs/dbraw/zinc/08/28/49/170082849.db2.gz KTCUOBWXTKQAHI-UHFFFAOYSA-N 0 0 257.314 3.820 10 0 CHAERN CCCC[C@H](c1ccncc1)n1nnc2ccccc21 ZINC000005310113 170084812 /nfs/dbraw/zinc/08/48/12/170084812.db2.gz YVKIJBDRTNUBDC-OAHLLOKOSA-N 0 0 266.348 3.606 10 0 CHAERN CCCC[C@@H](c1ccccn1)n1nnc2ccccc21 ZINC000005309772 170084928 /nfs/dbraw/zinc/08/49/28/170084928.db2.gz ZKPUCBKTJQXBQJ-HNNXBMFYSA-N 0 0 266.348 3.606 10 0 CHAERN CCOC(=O)[C@@H](c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000005459743 170101195 /nfs/dbraw/zinc/10/11/95/170101195.db2.gz RLYXKRXVQQDHNH-GFCCVEGCSA-N 0 0 285.265 3.685 10 0 CHAERN CCCCc1c2c(nc3c1CCC[C@@H]3O)CCCC2 ZINC000005499265 170104865 /nfs/dbraw/zinc/10/48/65/170104865.db2.gz KASONYUJHMHLCL-INIZCTEOSA-N 0 0 259.393 3.673 10 0 CHAERN CC(=O)Nc1ccccc1C(=O)Nc1ccc(C)c(C)c1 ZINC000005547024 170111730 /nfs/dbraw/zinc/11/17/30/170111730.db2.gz PSLKYZFEELJKRA-UHFFFAOYSA-N 0 0 282.343 3.514 10 0 CHAERN CCOc1ccccc1Nc1nc2ccccc2c(=O)s1 ZINC000005569011 170114801 /nfs/dbraw/zinc/11/48/01/170114801.db2.gz XYWBFRHHDQECBN-UHFFFAOYSA-N 0 0 298.367 3.799 10 0 CHAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)c1ccccc1O ZINC000005732753 170135146 /nfs/dbraw/zinc/13/51/46/170135146.db2.gz XQPZKMWBRDTOGK-UXEPBGEESA-N 0 0 274.360 3.764 10 0 CHAERN CC(C)COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000005759351 170137776 /nfs/dbraw/zinc/13/77/76/170137776.db2.gz ARZBHIWSBXERKM-SFHVURJKSA-N 0 0 290.403 3.654 10 0 in-man CHAERN O=Cc1c(OC(=O)Cc2ccccc2)ccc2ccccc21 ZINC000005772992 170139178 /nfs/dbraw/zinc/13/91/78/170139178.db2.gz BQFIXKTVEPRDEH-UHFFFAOYSA-N 0 0 290.318 3.800 10 0 CHAERN Clc1ccccc1CN1CNc2nc3ccccc3n2C1 ZINC000005819101 170143496 /nfs/dbraw/zinc/14/34/96/170143496.db2.gz SRCRVKZYFSIIDN-UHFFFAOYSA-N 0 0 298.777 3.532 10 0 CHAERN Cc1cccc2c1ncn2Cc1c(F)cccc1F ZINC000005931370 170157338 /nfs/dbraw/zinc/15/73/38/170157338.db2.gz VPEWBYMJUVSDBS-UHFFFAOYSA-N 0 0 258.271 3.671 10 0 CHAERN COc1cccc(-c2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000006186692 170181439 /nfs/dbraw/zinc/18/14/39/170181439.db2.gz MQAORACEMOVBSY-UHFFFAOYSA-N 0 0 290.388 3.803 10 0 CHAERN Cc1ccc(OCCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000006376712 170195985 /nfs/dbraw/zinc/19/59/85/170195985.db2.gz SPLNTWSWZFGMJN-UHFFFAOYSA-N 0 0 291.297 3.681 10 0 CHAERN COc1ccc(C=O)cc1COc1ccc(Cl)c(F)c1 ZINC000006406402 170199182 /nfs/dbraw/zinc/19/91/82/170199182.db2.gz HCALSMRQIIJJDD-UHFFFAOYSA-N 0 0 294.709 3.879 10 0 CHAERN CC(C)c1ccccc1NC(=S)N1CCCCC1 ZINC000006541170 170211634 /nfs/dbraw/zinc/21/16/34/170211634.db2.gz JPXSKSOSFHDKQK-UHFFFAOYSA-N 0 0 262.422 3.993 10 0 CHAERN Cc1ccc2onc(CC(=O)Nc3ccc(C)c(F)c3)c2c1 ZINC000006838121 170247980 /nfs/dbraw/zinc/24/79/80/170247980.db2.gz JIBQRRQZYCFXMK-UHFFFAOYSA-N 0 0 298.317 3.765 10 0 CHAERN CCc1ccccc1N[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000007057564 170264995 /nfs/dbraw/zinc/26/49/95/170264995.db2.gz PWMLKMSRHBTFGO-AWEZNQCLSA-N 0 0 282.387 3.997 10 0 CHAERN C[C@H](NC(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000007597635 170292262 /nfs/dbraw/zinc/29/22/62/170292262.db2.gz XUOAWXPVGLUHQE-JTQLQIEISA-N 0 0 277.726 3.970 10 0 CHAERN Cc1ccccc1/C=C/C(=O)Nc1ccc(F)cc1F ZINC000008034223 170315131 /nfs/dbraw/zinc/31/51/31/170315131.db2.gz LSLBZPRHXRZNLV-RMKNXTFCSA-N 0 0 273.282 3.925 10 0 CHAERN COc1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 ZINC000008162999 170322225 /nfs/dbraw/zinc/32/22/25/170322225.db2.gz ANXGNCAVETUDFP-CQSZACIVSA-N 0 0 299.370 3.718 10 0 CHAERN CCOC(=O)c1c(C)c(Oc2ccccc2)sc1N ZINC000008228696 170325855 /nfs/dbraw/zinc/32/58/55/170325855.db2.gz NTFKTKOXMUQXDQ-UHFFFAOYSA-N 0 0 277.345 3.608 10 0 CHAERN CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000008276622 170328689 /nfs/dbraw/zinc/32/86/89/170328689.db2.gz FADUECMVWFKFJO-MKLFLIHKSA-N 0 0 287.403 3.793 10 0 CHAERN CC[C@H]1CCc2c(sc3ncnc(Cl)c23)C1 ZINC000008337268 170331805 /nfs/dbraw/zinc/33/18/05/170331805.db2.gz YDDAEOUSSYPWIV-ZETCQYMHSA-N 0 0 252.770 3.860 10 0 CHAERN Cc1cccc(Cn2c3ccccc3nc2C(C)(C)O)c1 ZINC000008785921 170355834 /nfs/dbraw/zinc/35/58/34/170355834.db2.gz IZADYYKZJFMXTP-UHFFFAOYSA-N 0 0 280.371 3.620 10 0 CHAERN C[C@@H](SCC(=O)Nc1cccc(O)c1)c1ccccc1 ZINC000008906299 170358627 /nfs/dbraw/zinc/35/86/27/170358627.db2.gz RQMJUQVZCLXHBF-GFCCVEGCSA-N 0 0 287.384 3.825 10 0 CHAERN CCCn1cc(-c2csc(N)n2)c2ccccc21 ZINC000009330659 170372180 /nfs/dbraw/zinc/37/21/80/170372180.db2.gz IPYUEBJIACNVIF-UHFFFAOYSA-N 0 0 257.362 3.757 10 0 CHAERN OC[C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000011734404 170436815 /nfs/dbraw/zinc/43/68/15/170436815.db2.gz UGFUDZPDSVGJHK-CYBMUJFWSA-N 0 0 264.727 3.798 10 0 CHAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)Nc1ccccc1F ZINC000012977857 170524608 /nfs/dbraw/zinc/52/46/08/170524608.db2.gz UXVPUJVJNVPOLV-LLVKDONJSA-N 0 0 288.322 3.756 10 0 CHAERN Cc1ccc(CNC(=S)N2c3ccccc3C[C@H]2C)cc1 ZINC000013839097 170604028 /nfs/dbraw/zinc/60/40/28/170604028.db2.gz LVLDLAASMQBHAT-CQSZACIVSA-N 0 0 296.439 3.821 10 0 CHAERN CCOc1cccc(C(=O)Oc2cc(C)cc(C)c2)c1 ZINC000014781547 170645094 /nfs/dbraw/zinc/64/50/94/170645094.db2.gz OKKJLJPZOMYPIA-UHFFFAOYSA-N 0 0 270.328 3.921 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(F)cc1 ZINC000015686021 170674397 /nfs/dbraw/zinc/67/43/97/170674397.db2.gz NAOXWJYHSXEXEO-LBPRGKRZSA-N 0 0 257.308 3.625 10 0 CHAERN C[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2N1 ZINC000019471137 170804797 /nfs/dbraw/zinc/80/47/97/170804797.db2.gz SOVUZFAJRWAPNY-DARAHFNDSA-N 0 0 286.419 3.669 10 0 CHAERN C[C@@H](C(c1ccccc1)c1ccccc1)n1nccc1N ZINC000019689308 170841725 /nfs/dbraw/zinc/84/17/25/170841725.db2.gz FQMOJUPSFVWWPH-AWEZNQCLSA-N 0 0 277.371 3.858 10 0 CHAERN C[C@@H](Sc1ccccc1F)C(=O)Nc1ccccc1N ZINC000019846244 170894635 /nfs/dbraw/zinc/89/46/35/170894635.db2.gz CGBQQHYRYAFIPK-SNVBAGLBSA-N 0 0 290.363 3.527 10 0 CHAERN CC[C@H](C)SCCCC(=O)Nc1cc(N)ccc1F ZINC000019869725 170900616 /nfs/dbraw/zinc/90/06/16/170900616.db2.gz PFKZHGSOVIKHSM-JTQLQIEISA-N 0 0 284.400 3.658 10 0 CHAERN COc1ccc(OC)c(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019910495 170921658 /nfs/dbraw/zinc/92/16/58/170921658.db2.gz REVQRHOZJHRVTK-NSHDSACASA-N 0 0 273.332 3.583 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1cc2ccccc2o1 ZINC000019911719 170922326 /nfs/dbraw/zinc/92/23/26/170922326.db2.gz DVWSUYOZLAICJH-LLVKDONJSA-N 0 0 280.327 3.705 10 0 CHAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000019952110 170940146 /nfs/dbraw/zinc/94/01/46/170940146.db2.gz PWZVNJRUTTVSJS-SECBINFHSA-N 0 0 277.270 3.867 10 0 CHAERN COc1cc([C@H](C)Nc2cc(F)cc(F)c2)ccc1O ZINC000019961952 170943813 /nfs/dbraw/zinc/94/38/13/170943813.db2.gz AIPDYZDYDVKNGR-VIFPVBQESA-N 0 0 279.286 3.852 10 0 CHAERN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000020013163 170969169 /nfs/dbraw/zinc/96/91/69/170969169.db2.gz HFODSMXSGWLWIC-IUCAKERBSA-N 0 0 257.280 3.855 10 0 CHAERN NC(=O)c1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000020038881 170975217 /nfs/dbraw/zinc/97/52/17/170975217.db2.gz OEUNDCODDYYDLB-UHFFFAOYSA-N 0 0 295.169 3.704 10 0 CHAERN C[C@H](Sc1cccs1)C(=O)Nc1ccc(F)cc1N ZINC000020078096 170985039 /nfs/dbraw/zinc/98/50/39/170985039.db2.gz JYSMIHGJAXQQHY-QMMMGPOBSA-N 0 0 296.392 3.589 10 0 CHAERN CC[C@H](Nc1cccc(C(=O)NC)c1)c1ccc(C)cc1 ZINC000020124696 171007110 /nfs/dbraw/zinc/00/71/10/171007110.db2.gz XONYGZGKMWZLEK-KRWDZBQOSA-N 0 0 282.387 3.918 10 0 CHAERN CNC(=O)c1cccc(N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000020124725 171007177 /nfs/dbraw/zinc/00/71/77/171007177.db2.gz YVKJKGLEQPPKKZ-CQSZACIVSA-N 0 0 282.387 3.836 10 0 CHAERN Fc1ccc(CNCc2nc3ccccc3s2)cc1F ZINC000020135957 171023333 /nfs/dbraw/zinc/02/33/33/171023333.db2.gz BHKJPUSQDMBTDZ-UHFFFAOYSA-N 0 0 290.338 3.864 10 0 CHAERN C[C@H](NCc1nc2ccccc2s1)c1ccncc1 ZINC000020136137 171023789 /nfs/dbraw/zinc/02/37/89/171023789.db2.gz FQNIAFALSZWXGX-NSHDSACASA-N 0 0 269.373 3.542 10 0 CHAERN CCc1cccc(CC)c1NC(=O)Cc1cccc(N)c1 ZINC000020186074 171049531 /nfs/dbraw/zinc/04/95/31/171049531.db2.gz UZIWPFZXZUMJIV-UHFFFAOYSA-N 0 0 282.387 3.575 10 0 CHAERN Nc1cccc(CCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000020187140 171051503 /nfs/dbraw/zinc/05/15/03/171051503.db2.gz ZQNQAAFZDVPGHU-UHFFFAOYSA-N 0 0 292.741 3.633 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)CCc1cccc(N)c1 ZINC000020187134 171051615 /nfs/dbraw/zinc/05/16/15/171051615.db2.gz KJDXPFGDUPJZBJ-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN C[C@H](Nc1ccc(-c2nnco2)cc1)c1ccco1 ZINC000020186955 171051630 /nfs/dbraw/zinc/05/16/30/171051630.db2.gz INVPJEPZJROWCW-JTQLQIEISA-N 0 0 255.277 3.503 10 0 CHAERN CN(C(=O)c1cccc2ccccc21)c1ccc(O)cc1 ZINC000020210736 171073821 /nfs/dbraw/zinc/07/38/21/171073821.db2.gz ZWFWYOCRVQHQIR-UHFFFAOYSA-N 0 0 277.323 3.822 10 0 CHAERN CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1 ZINC000020211001 171075215 /nfs/dbraw/zinc/07/52/15/171075215.db2.gz SNSQIMHLCFYRAD-UHFFFAOYSA-N 0 0 295.260 3.688 10 0 CHAERN Cc1ccc(OCc2cscn2)c(Br)c1 ZINC000020253959 171106941 /nfs/dbraw/zinc/10/69/41/171106941.db2.gz WEAAEUGAQNXTMW-UHFFFAOYSA-N 0 0 284.178 3.793 10 0 CHAERN Cc1cc(C=O)cc(C)c1OCc1ccc(F)cc1 ZINC000020297933 171137952 /nfs/dbraw/zinc/13/79/52/171137952.db2.gz SKDBVXDPIVGXTG-UHFFFAOYSA-N 0 0 258.292 3.834 10 0 CHAERN CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000020311640 171144698 /nfs/dbraw/zinc/14/46/98/171144698.db2.gz NUAMYMNADGDCMW-UHFFFAOYSA-N 0 0 295.791 3.878 10 0 CHAERN CCCCCNc1ccc(I)cc1 ZINC000020359126 171158097 /nfs/dbraw/zinc/15/80/97/171158097.db2.gz NTYMFBRKMIPNNT-UHFFFAOYSA-N 0 0 289.160 3.893 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000020366651 171165145 /nfs/dbraw/zinc/16/51/45/171165145.db2.gz OJKLAGKHHIIZRS-NSHDSACASA-N 0 0 282.815 3.754 10 0 CHAERN CCC[C@H](C)NC(=O)[C@H](C)Nc1ccc(C)cc1Cl ZINC000020366659 171165207 /nfs/dbraw/zinc/16/52/07/171165207.db2.gz UJHOLVWMMXOANR-RYUDHWBXSA-N 0 0 282.815 3.754 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1cccc2ccccc21 ZINC000020366440 171165325 /nfs/dbraw/zinc/16/53/25/171165325.db2.gz MLVORVOHFDWCTK-CYBMUJFWSA-N 0 0 270.376 3.557 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1ccccc1C(C)C ZINC000020368021 171166168 /nfs/dbraw/zinc/16/61/68/171166168.db2.gz KBAADAFVBAAYTE-CYBMUJFWSA-N 0 0 262.397 3.527 10 0 CHAERN COc1ccc([C@H](N)c2cc3ccccc3o2)cc1F ZINC000020369199 171166989 /nfs/dbraw/zinc/16/69/89/171166989.db2.gz JCHQUUUNLJRPEH-INIZCTEOSA-N 0 0 271.291 3.629 10 0 CHAERN Nc1cccnc1Oc1ccc(Br)cc1Cl ZINC000020372837 171168775 /nfs/dbraw/zinc/16/87/75/171168775.db2.gz MBGYWNHDMOCXKU-UHFFFAOYSA-N 0 0 299.555 3.872 10 0 CHAERN COC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000020391124 171179841 /nfs/dbraw/zinc/17/98/41/171179841.db2.gz XCARQPIQFBVXEW-UHFFFAOYSA-N 0 0 262.692 3.919 10 0 CHAERN [NH3+][C@H](CCCC(=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000020423363 171190183 /nfs/dbraw/zinc/19/01/83/171190183.db2.gz ODHVYNBQMAJFPY-MRXNPFEDSA-N 0 0 275.392 3.989 10 0 CHAERN Cc1cc(CNc2ccc(F)cc2F)cc(C)c1O ZINC000020424248 171190758 /nfs/dbraw/zinc/19/07/58/171190758.db2.gz AYCZYELFPSJHDN-UHFFFAOYSA-N 0 0 263.287 3.899 10 0 CHAERN COc1cc(C)ccc1Oc1cccc(Cl)c1CO ZINC000020435073 171200432 /nfs/dbraw/zinc/20/04/32/171200432.db2.gz BYZKHXXELAZJBN-UHFFFAOYSA-N 0 0 278.735 3.942 10 0 CHAERN CCN(c1ccccc1)c1cccc(Cl)c1CO ZINC000020435012 171200926 /nfs/dbraw/zinc/20/09/26/171200926.db2.gz HKCQEFYKOHKXPT-UHFFFAOYSA-N 0 0 261.752 3.990 10 0 CHAERN CC(C)C[C@H](C)Oc1nc2ccccc2cc1C=O ZINC000020445107 171206263 /nfs/dbraw/zinc/20/62/63/171206263.db2.gz IPUKDAZUDDMOBW-LBPRGKRZSA-N 0 0 257.333 3.861 10 0 CHAERN Cc1ccc(N[C@H]2COc3cc(O)ccc32)c(Cl)c1 ZINC000020471144 171213744 /nfs/dbraw/zinc/21/37/44/171213744.db2.gz WOPJIFYNCVCSCR-AWEZNQCLSA-N 0 0 275.735 3.900 10 0 CHAERN CC[C@@H](C)CNc1ccc(I)cc1 ZINC000020477141 171220741 /nfs/dbraw/zinc/22/07/41/171220741.db2.gz YDJPHXZFBMCETA-SECBINFHSA-N 0 0 289.160 3.749 10 0 CHAERN CCCC[C@@H](CC)C(=O)Nc1cc(N)ccc1F ZINC000020481664 171222208 /nfs/dbraw/zinc/22/22/08/171222208.db2.gz MXLDDAMMHCMKPB-SNVBAGLBSA-N 0 0 252.333 3.563 10 0 CHAERN CC(C)CSCCC(=O)Nc1ccc(Cl)cc1N ZINC000020484206 171223876 /nfs/dbraw/zinc/22/38/76/171223876.db2.gz SJUOERMUGHIVKA-UHFFFAOYSA-N 0 0 286.828 3.640 10 0 CHAERN C[C@@H]1CCC[C@@H](OCc2cc(C(N)=S)ccc2F)C1 ZINC000020516037 171232478 /nfs/dbraw/zinc/23/24/78/171232478.db2.gz OMMZIIHJPJTJJL-ZWNOBZJWSA-N 0 0 281.396 3.555 10 0 CHAERN COC(C)(C)C[C@H](C)Nc1ccc(F)c(F)c1F ZINC000020524286 171237306 /nfs/dbraw/zinc/23/73/06/171237306.db2.gz VXBPLYYDFBYTFF-QMMMGPOBSA-N 0 0 261.287 3.719 10 0 CHAERN COc1cc(NC2[C@H](C)CCC[C@H]2C)cc(OC)c1 ZINC000020560447 171251477 /nfs/dbraw/zinc/25/14/77/171251477.db2.gz NJVLAHQJPOPCJR-VXGBXAGGSA-N 0 0 263.381 3.940 10 0 CHAERN Clc1ccccc1[C@H]1CC(c2ccccc2)=NN1 ZINC000020578295 171256287 /nfs/dbraw/zinc/25/62/87/171256287.db2.gz LOPBOYAHTDGZRK-OAHLLOKOSA-N 0 0 256.736 3.779 10 0 CHAERN Clc1cccc([C@H]2CC(c3ccccc3)=NN2)c1 ZINC000020578319 171256331 /nfs/dbraw/zinc/25/63/31/171256331.db2.gz UNAQHRILBXVEFV-OAHLLOKOSA-N 0 0 256.736 3.779 10 0 CHAERN Cc1cnn([C@H](C)c2ccc(Cl)cc2Cl)c1N ZINC000020578800 171256765 /nfs/dbraw/zinc/25/67/65/171256765.db2.gz NHINAMWVNFOWLY-MRVPVSSYSA-N 0 0 270.163 3.690 10 0 CHAERN COc1cc(Cl)c(C)cc1NC1N=NC(=S)S1 ZINC000020581543 171257101 /nfs/dbraw/zinc/25/71/01/171257101.db2.gz DPQCZHRUEHREHE-UHFFFAOYSA-N 0 0 287.797 3.541 10 0 CHAERN CC(C)CCn1c(=S)[nH]nc1-c1cccs1 ZINC000020591047 171261449 /nfs/dbraw/zinc/26/14/49/171261449.db2.gz JAZMVZVQUYQWQX-UHFFFAOYSA-N 0 0 253.396 3.715 10 0 CHAERN Cc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1N ZINC000020594671 171263773 /nfs/dbraw/zinc/26/37/73/171263773.db2.gz JRGFEHCBAKNUAU-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Nc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000020594675 171263795 /nfs/dbraw/zinc/26/37/95/171263795.db2.gz KNPMQZSQADNVFD-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN CC(C)Sc1ccccc1C(=O)n1nnc2ccccc21 ZINC000020612835 171267358 /nfs/dbraw/zinc/26/73/58/171267358.db2.gz XMWMYEJSALVVQU-UHFFFAOYSA-N 0 0 297.383 3.620 10 0 CHAERN Cc1ccc(C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C ZINC000021004133 171285088 /nfs/dbraw/zinc/28/50/88/171285088.db2.gz UURIYQJNQFEAOS-UHFFFAOYSA-N 0 0 293.366 3.883 10 0 CHAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000021014848 171289421 /nfs/dbraw/zinc/28/94/21/171289421.db2.gz ICTHMPLRHMUAAP-VXGBXAGGSA-N 0 0 288.391 3.539 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc(Cl)c2)c1O ZINC000021061344 171297120 /nfs/dbraw/zinc/29/71/20/171297120.db2.gz CWYLPZFHTPDCGO-UHFFFAOYSA-N 0 0 261.708 3.606 10 0 CHAERN COc1ccc(C2(CNC(=O)c3ccco3)CCCC2)cc1 ZINC000021691140 171319125 /nfs/dbraw/zinc/31/91/25/171319125.db2.gz ZDINUZDPOOYNIZ-UHFFFAOYSA-N 0 0 299.370 3.530 10 0 CHAERN Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000021953352 171340396 /nfs/dbraw/zinc/34/03/96/171340396.db2.gz RTBLJBXMSNVSLI-UHFFFAOYSA-N 0 0 295.161 3.901 10 0 CHAERN CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1 ZINC000021998709 171347556 /nfs/dbraw/zinc/34/75/56/171347556.db2.gz ZDZXUEVJHMDOAT-LJQANCHMSA-N 0 0 290.366 3.662 10 0 CHAERN Cc1ccc(N2C(=O)OC[C@H]2c2ccccc2)cc1 ZINC000021996757 171347597 /nfs/dbraw/zinc/34/75/97/171347597.db2.gz QENWQHDTOBJPJL-HNNXBMFYSA-N 0 0 253.301 3.693 10 0 CHAERN O=C(c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000022121786 171353820 /nfs/dbraw/zinc/35/38/20/171353820.db2.gz MYNUUPOPJUCZCU-UHFFFAOYSA-N 0 0 252.100 3.619 10 0 CHAERN O=Cc1c(Sc2ccc(F)c(F)c2)nc2sccn12 ZINC000022158158 171363507 /nfs/dbraw/zinc/36/35/07/171363507.db2.gz OLCLWHBUJSEBBO-UHFFFAOYSA-N 0 0 296.323 3.638 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)CCOC1CCCCC1 ZINC000022172667 171368886 /nfs/dbraw/zinc/36/88/86/171368886.db2.gz JZRSOKJCYQKFNB-UHFFFAOYSA-N 0 0 296.798 3.600 10 0 CHAERN CCOC(=O)c1ccc(NCc2ccc(C)cc2)cc1 ZINC000026482745 171487445 /nfs/dbraw/zinc/48/74/45/171487445.db2.gz ILWXVDRCQOLGJH-UHFFFAOYSA-N 0 0 269.344 3.784 10 0 CHAERN CC(C)n1c2ccccc2c(=O)nc1-c1ccccc1 ZINC000027652837 171527356 /nfs/dbraw/zinc/52/73/56/171527356.db2.gz BULRTSOYLYQZTC-UHFFFAOYSA-N 0 0 264.328 3.644 10 0 CHAERN O=C(Cc1ccccn1)c1ccc(Cl)cc1Cl ZINC000028013638 171544440 /nfs/dbraw/zinc/54/44/40/171544440.db2.gz SPRZMQVPVQYHAO-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN Nc1cc(Cl)c2ncc(-c3ccc(Cl)cc3)nc2n1 ZINC000031715724 171644205 /nfs/dbraw/zinc/64/42/05/171644205.db2.gz KSTIBNFZHIBNOI-UHFFFAOYSA-N 0 0 291.141 3.581 10 0 CHAERN O=[N+]([O-])/C=C/c1cc2cc(Cl)ccc2nc1Cl ZINC000032099811 171696676 /nfs/dbraw/zinc/69/66/76/171696676.db2.gz WDBDGRDWWSBWSR-ONEGZZNKSA-N 0 0 269.087 3.789 10 0 CHAERN O=C(/C=C\c1ccc(Cl)cc1Cl)n1cccn1 ZINC000033456342 171804294 /nfs/dbraw/zinc/80/42/94/171804294.db2.gz VKHNISLJFFXIOI-HYXAFXHYSA-N 0 0 267.115 3.544 10 0 CHAERN O[C@@H]1C[C@H](c2ccc(Cl)cc2)Oc2ccccc21 ZINC000033495075 171807419 /nfs/dbraw/zinc/80/74/19/171807419.db2.gz ANMJLLKPZCEAMJ-UKRRQHHQSA-N 0 0 260.720 3.897 10 0 CHAERN Cc1cccc(C(=O)c2ccc(Br)cc2)c1N ZINC000034376620 171838106 /nfs/dbraw/zinc/83/81/06/171838106.db2.gz RJDHAOMNCJWTTB-UHFFFAOYSA-N 0 0 290.160 3.571 10 0 CHAERN Cc1nn(-c2ccccc2)c2nc3ccccc3cc12 ZINC000034543622 171843987 /nfs/dbraw/zinc/84/39/87/171843987.db2.gz VXXHCSZPRKRCKI-UHFFFAOYSA-N 0 0 259.312 3.882 10 0 CHAERN CCOC(=O)c1c(O)cccc1/C=C/c1ccccc1 ZINC000034722843 171864388 /nfs/dbraw/zinc/86/43/88/171864388.db2.gz RLCIBDMBUMIIMC-VAWYXSNFSA-N 0 0 268.312 3.739 10 0 CHAERN O=C(Cc1ccsc1)c1nc2ccccc2s1 ZINC000034938341 171897888 /nfs/dbraw/zinc/89/78/88/171897888.db2.gz KHLHSRBUJQWITI-UHFFFAOYSA-N 0 0 259.355 3.783 10 0 CHAERN Oc1cccc(-c2nc(-c3ccccn3)cs2)c1 ZINC000034956351 171901811 /nfs/dbraw/zinc/90/18/11/171901811.db2.gz ORZLRVSGCZAPBG-UHFFFAOYSA-N 0 0 254.314 3.578 10 0 CHAERN Nc1nc(COc2cccc(Cl)c2Cl)cs1 ZINC000034960580 171905742 /nfs/dbraw/zinc/90/57/42/171905742.db2.gz XWXYDTGMJMLGBY-UHFFFAOYSA-N 0 0 275.160 3.611 10 0 CHAERN CC(C)(C)c1[nH]nc(N)c1-c1ccc(Br)cc1 ZINC000034975846 171910441 /nfs/dbraw/zinc/91/04/41/171910441.db2.gz RUEMGLRQQAWBJL-UHFFFAOYSA-N 0 0 294.196 3.719 10 0 CHAERN O=C(c1c[nH]c2ccc(Br)cc12)C1CCC1 ZINC000034977120 171911179 /nfs/dbraw/zinc/91/11/79/171911179.db2.gz XXUJYTCILMBAEE-UHFFFAOYSA-N 0 0 278.149 3.913 10 0 CHAERN O=C(Cn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000034979790 171912116 /nfs/dbraw/zinc/91/21/16/171912116.db2.gz HPZHQTGQXNVANI-UHFFFAOYSA-N 0 0 270.719 3.573 10 0 CHAERN Cc1nc(CN[C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000035010128 171928096 /nfs/dbraw/zinc/92/80/96/171928096.db2.gz DKNLJVDRQKZWJP-MRVPVSSYSA-N 0 0 268.332 3.581 10 0 CHAERN O=C(CN1CCCCC1)c1cc(Cl)ccc1Cl ZINC000035020087 171938632 /nfs/dbraw/zinc/93/86/32/171938632.db2.gz RCTUHNZXZKVTOX-UHFFFAOYSA-N 0 0 272.175 3.662 10 0 CHAERN C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000035135017 172002146 /nfs/dbraw/zinc/00/21/46/172002146.db2.gz UKLVMJJSNZOISO-LURJTMIESA-N 0 0 264.678 3.964 10 0 CHAERN COC(=O)[C@H](C)CSc1cccc(C(F)(F)F)c1 ZINC000035138098 172005460 /nfs/dbraw/zinc/00/54/60/172005460.db2.gz NDBUFTCLTUQSQT-MRVPVSSYSA-N 0 0 278.295 3.607 10 0 CHAERN Cc1cc(Br)ccc1NC[C@@H]1CCCCO1 ZINC000035150868 172014201 /nfs/dbraw/zinc/01/42/01/172014201.db2.gz INIQVJDUZGIOPD-LBPRGKRZSA-N 0 0 284.197 3.739 10 0 CHAERN CCc1cc(OCc2nnsc2Cl)ccc1Cl ZINC000035163618 172024375 /nfs/dbraw/zinc/02/43/75/172024375.db2.gz BGZFEPPYAQCLKE-UHFFFAOYSA-N 0 0 289.187 3.986 10 0 CHAERN CC(C)c1cccc(OCc2nnsc2Cl)c1 ZINC000035163649 172024744 /nfs/dbraw/zinc/02/47/44/172024744.db2.gz XKJLNJDTVNIKDK-UHFFFAOYSA-N 0 0 268.769 3.894 10 0 CHAERN O=C(CSc1ncccn1)c1cc(Cl)ccc1Cl ZINC000035182110 172035388 /nfs/dbraw/zinc/03/53/88/172035388.db2.gz RTNVAVJNCXLEAV-UHFFFAOYSA-N 0 0 299.182 3.758 10 0 CHAERN CC[C@H](C)SCCOc1ccccc1C(C)=O ZINC000035182636 172036104 /nfs/dbraw/zinc/03/61/04/172036104.db2.gz NRVMNKGPVKIORX-NSHDSACASA-N 0 0 252.379 3.800 10 0 CHAERN O=C(COc1ccc(F)cc1)c1ccccc1Cl ZINC000035183831 172037171 /nfs/dbraw/zinc/03/71/71/172037171.db2.gz MFKCEAVLSASMCH-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000035184096 172037203 /nfs/dbraw/zinc/03/72/03/172037203.db2.gz KKWBMLSFDLXAJU-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1ccccc1O[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035183786 172037219 /nfs/dbraw/zinc/03/72/19/172037219.db2.gz RULJLSSHZMQTAM-LLVKDONJSA-N 0 0 276.282 3.923 10 0 CHAERN O=C(COc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000035184114 172037606 /nfs/dbraw/zinc/03/76/06/172037606.db2.gz QTGBAOXIDAHBKZ-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN O=C(COc1cccc2ccccc21)c1ccco1 ZINC000035184141 172038252 /nfs/dbraw/zinc/03/82/52/172038252.db2.gz UBGRQZNIQCSVNQ-UHFFFAOYSA-N 0 0 252.269 3.695 10 0 CHAERN CCCCCNC(=O)c1cc(C)nc2ccc(F)cc21 ZINC000035219009 172059767 /nfs/dbraw/zinc/05/97/67/172059767.db2.gz OHGMSQSQUJGHSR-UHFFFAOYSA-N 0 0 274.339 3.602 10 0 CHAERN COC(=O)[C@@H](N[C@@H](c1ccc(Cl)cc1)C1CC1)C(C)C ZINC000035224658 172069543 /nfs/dbraw/zinc/06/95/43/172069543.db2.gz FJDLOWNDAJRWIB-LSDHHAIUSA-N 0 0 295.810 3.578 10 0 CHAERN Cc1c(N)cccc1OCc1ccccc1Br ZINC000035283159 172101303 /nfs/dbraw/zinc/10/13/03/172101303.db2.gz VNEOHKPHRLRDMF-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Nc1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000035283789 172101902 /nfs/dbraw/zinc/10/19/02/172101902.db2.gz KIRSCTADQRKBLD-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN [NH3+][C@@H](CCCCC(=O)[O-])c1csc2ccccc21 ZINC000035324462 172127014 /nfs/dbraw/zinc/12/70/14/172127014.db2.gz LEYCJPFVVYZUQB-LBPRGKRZSA-N 0 0 263.362 3.546 10 0 CHAERN Cc1nc2cc(OCc3ccccc3)c(N)cc2s1 ZINC000035342774 172135299 /nfs/dbraw/zinc/13/52/99/172135299.db2.gz BNQRYVVYEHWYNS-UHFFFAOYSA-N 0 0 270.357 3.766 10 0 CHAERN Nc1c2ncsc2ccc1NCc1ccc(F)cc1 ZINC000035344359 172136693 /nfs/dbraw/zinc/13/66/93/172136693.db2.gz LJVVYKXXIOIQFM-UHFFFAOYSA-N 0 0 273.336 3.630 10 0 CHAERN COc1cc(Cl)c(C(=O)c2ccsc2)cc1OC ZINC000035369599 172161572 /nfs/dbraw/zinc/16/15/72/172161572.db2.gz XCYHGVGHZAGHMQ-UHFFFAOYSA-N 0 0 282.748 3.650 10 0 CHAERN Cc1ccc(Cn2nc(C(C)C)c(CO)c2Cl)cc1 ZINC000035412661 172184682 /nfs/dbraw/zinc/18/46/82/172184682.db2.gz SCEDMVMKLYWPDT-UHFFFAOYSA-N 0 0 278.783 3.509 10 0 CHAERN COc1ccc(C(=O)c2cc(C)ccc2C)cc1F ZINC000035423915 172192449 /nfs/dbraw/zinc/19/24/49/172192449.db2.gz ZPJPSKICSQTRTD-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN C[C@@H](CCc1ccco1)Nc1c(F)cccc1F ZINC000035451932 172205131 /nfs/dbraw/zinc/20/51/31/172205131.db2.gz WWIZKSXZVPGPEZ-JTQLQIEISA-N 0 0 251.276 3.991 10 0 CHAERN CN[C@@H](c1cc(C)ccc1C)C(F)(F)C(F)(F)F ZINC000035489431 172223968 /nfs/dbraw/zinc/22/39/68/172223968.db2.gz PYCIZDUNPHOOCY-JTQLQIEISA-N 0 0 267.241 3.762 10 0 CHAERN CCCN[C@@H](c1ccc(OC)cc1C)C(F)(F)F ZINC000035579811 172275766 /nfs/dbraw/zinc/27/57/66/172275766.db2.gz VEGPHSMSLAPMSN-LBPRGKRZSA-N 0 0 261.287 3.607 10 0 CHAERN C[C@H](O)c1ccc2ccccc2c1OCc1cscn1 ZINC000035627959 172306990 /nfs/dbraw/zinc/30/69/90/172306990.db2.gz ZXMICAVJFFOERC-NSHDSACASA-N 0 0 285.368 3.929 10 0 CHAERN Cc1ccc(OCc2ccccc2F)c([C@@H](C)O)c1 ZINC000035630372 172311365 /nfs/dbraw/zinc/31/13/65/172311365.db2.gz YWFKPEVDDIWZEJ-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN C[C@@H](O)c1ccc(N(C)Cc2cccc(F)c2)c(F)c1 ZINC000035631519 172313581 /nfs/dbraw/zinc/31/35/81/172313581.db2.gz MQHHQJVCGLBWBE-LLVKDONJSA-N 0 0 277.314 3.655 10 0 CHAERN Cc1ccc(CN(C)c2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035631498 172313844 /nfs/dbraw/zinc/31/38/44/172313844.db2.gz BIJCNFOTOHPBIN-CYBMUJFWSA-N 0 0 273.351 3.824 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCCCCC2)c(F)c1 ZINC000035631509 172313890 /nfs/dbraw/zinc/31/38/90/172313890.db2.gz XZSWNLGJPPXKHZ-GFCCVEGCSA-N 0 0 251.345 3.650 10 0 CHAERN COc1cccc(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035632145 172314591 /nfs/dbraw/zinc/31/45/91/172314591.db2.gz TXQJXWJWFKGZFP-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN CCN(Cc1ccccc1)c1ccccc1[C@@H](C)O ZINC000035650521 172326743 /nfs/dbraw/zinc/32/67/43/172326743.db2.gz QPWIGWUNLWOQTK-CQSZACIVSA-N 0 0 255.361 3.766 10 0 CHAERN OCc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000035662568 172340372 /nfs/dbraw/zinc/34/03/72/172340372.db2.gz VODVSFQJDKITRO-UHFFFAOYSA-N 0 0 261.148 3.807 10 0 CHAERN Nc1cccnc1Sc1ccc2ccccc2c1 ZINC000035676439 172347302 /nfs/dbraw/zinc/34/73/02/172347302.db2.gz JEGHYZFNDGPFGC-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)Nc2cnn(C)c2)cc1 ZINC000035737700 172391165 /nfs/dbraw/zinc/39/11/65/172391165.db2.gz QEJNJUARKLKTAK-CYBMUJFWSA-N 0 0 257.381 3.792 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(F)c(F)c1 ZINC000035738857 172392778 /nfs/dbraw/zinc/39/27/78/172392778.db2.gz NYCZWGNTBCYXDK-ZJUUUORDSA-N 0 0 251.276 3.970 10 0 CHAERN COC(=O)C[C@@H](C)Sc1cccc(C(F)(F)F)c1 ZINC000035741120 172394609 /nfs/dbraw/zinc/39/46/09/172394609.db2.gz KTNUKCGMAZLUSO-MRVPVSSYSA-N 0 0 278.295 3.749 10 0 CHAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000035748217 172395445 /nfs/dbraw/zinc/39/54/45/172395445.db2.gz IKOHPMJQUFBXBF-YUMQZZPRSA-N 0 0 276.163 3.507 10 0 CHAERN C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000035748220 172395849 /nfs/dbraw/zinc/39/58/49/172395849.db2.gz IKOHPMJQUFBXBF-JGVFFNPUSA-N 0 0 276.163 3.507 10 0 CHAERN COC(=O)[C@H](C)CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035758577 172398336 /nfs/dbraw/zinc/39/83/36/172398336.db2.gz KTDWHJKLAMUVAH-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CC(C)c1nn(-c2ccccc2Br)cc1C=O ZINC000035778976 172412069 /nfs/dbraw/zinc/41/20/69/172412069.db2.gz AQLUAJBQRJYVTN-UHFFFAOYSA-N 0 0 293.164 3.571 10 0 CHAERN Cc1ccc2c(c1)CCN(C(=O)C(C)C)[C@@H]2c1cccnc1 ZINC000036114091 172444337 /nfs/dbraw/zinc/44/43/37/172444337.db2.gz VWDNVUFAWWYKIB-GOSISDBHSA-N 0 0 294.398 3.520 10 0 CHAERN Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Cl)O2 ZINC000036142617 172466686 /nfs/dbraw/zinc/46/66/86/172466686.db2.gz QVZPBRSNSJZPQE-OAHLLOKOSA-N 0 0 287.746 3.937 10 0 CHAERN COc1ccc([C@H](O)CC(C)C)cc1Br ZINC000036174974 172494992 /nfs/dbraw/zinc/49/49/92/172494992.db2.gz JKBZLYOVEIPSKD-LLVKDONJSA-N 0 0 273.170 3.537 10 0 CHAERN Cc1ccc(Oc2ncc(N)cc2Br)cc1 ZINC000036251807 172545277 /nfs/dbraw/zinc/54/52/77/172545277.db2.gz MJLVMERVGAECGG-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN FC(F)(F)c1cccc(Cl)c1NC1CCOCC1 ZINC000036304560 172598464 /nfs/dbraw/zinc/59/84/64/172598464.db2.gz DHSIJPIKSBFNTM-UHFFFAOYSA-N 0 0 279.689 3.950 10 0 CHAERN CCC[C@@H](C)C(=O)Nc1c(C)cc(Br)cc1N ZINC000036738940 172669836 /nfs/dbraw/zinc/66/98/36/172669836.db2.gz YUFMNSBKAZZBOK-MRVPVSSYSA-N 0 0 299.212 3.714 10 0 CHAERN COc1ccc(C(=O)c2cccs2)c(Cl)c1 ZINC000036767298 172684990 /nfs/dbraw/zinc/68/49/90/172684990.db2.gz SLMDWWUOGUPJJN-UHFFFAOYSA-N 0 0 252.722 3.641 10 0 CHAERN CCC[C@@H](C)N(C)c1cc2nc(C)sc2cc1N ZINC000036790102 172709729 /nfs/dbraw/zinc/70/97/29/172709729.db2.gz UZZNWNSQPRDXBZ-SECBINFHSA-N 0 0 263.410 3.812 10 0 CHAERN Fc1ccc2c(c1)[nH]c(=S)n2Cc1ccccc1 ZINC000036891013 172784748 /nfs/dbraw/zinc/78/47/48/172784748.db2.gz FAXWMANUQNPGOK-UHFFFAOYSA-N 0 0 258.321 3.886 10 0 CHAERN Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000037009747 172867615 /nfs/dbraw/zinc/86/76/15/172867615.db2.gz UWMOEJYWIFRNKV-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(Cl)c(C(N)=O)c1 ZINC000037045835 172911655 /nfs/dbraw/zinc/91/16/55/172911655.db2.gz MXGIXSIABXGOSW-NXEZZACHSA-N 0 0 280.799 3.676 10 0 CHAERN COC(=O)c1ccc(Cl)c(NC[C@@H]2CC=CCC2)c1 ZINC000037047821 172914601 /nfs/dbraw/zinc/91/46/01/172914601.db2.gz FYQHGHDUGHBVEH-LLVKDONJSA-N 0 0 279.767 3.895 10 0 CHAERN COc1nc(Nc2ccc(Cl)c(Cl)c2)ccc1N ZINC000037067365 172929910 /nfs/dbraw/zinc/92/99/10/172929910.db2.gz YHBGPWAGLTVMQP-UHFFFAOYSA-N 0 0 284.146 3.723 10 0 CHAERN CCCCCCOc1ccc(N)c(OC(C)(C)C)n1 ZINC000037077477 172935120 /nfs/dbraw/zinc/93/51/20/172935120.db2.gz BXJVFNOQLYGACL-UHFFFAOYSA-N 0 0 266.385 3.800 10 0 CHAERN COc1ccc(NCc2cccc(Cl)c2)cc1O ZINC000037134733 172975298 /nfs/dbraw/zinc/97/52/98/172975298.db2.gz AAYOFFNDKLKEAC-UHFFFAOYSA-N 0 0 263.724 3.666 10 0 CHAERN COc1ccc(N[C@@H](C)c2ccccc2F)cc1O ZINC000037134778 172975469 /nfs/dbraw/zinc/97/54/69/172975469.db2.gz AYPQADGQGBHOBR-JTQLQIEISA-N 0 0 261.296 3.713 10 0 CHAERN NC(=S)c1cc(C(F)(F)F)ccc1NCC1CCC1 ZINC000037180944 173013652 /nfs/dbraw/zinc/01/36/52/173013652.db2.gz QOEIYLGRSUBNEE-UHFFFAOYSA-N 0 0 288.338 3.552 10 0 CHAERN CCOc1ccc(CSc2ccc(N)cc2)cc1 ZINC000037181792 173013713 /nfs/dbraw/zinc/01/37/13/173013713.db2.gz HLFWNNMFDSKXSM-UHFFFAOYSA-N 0 0 259.374 3.960 10 0 CHAERN CC[C@@H](Nc1cccnc1)c1ccc2c(c1)CCO2 ZINC000037187222 173017332 /nfs/dbraw/zinc/01/73/32/173017332.db2.gz NVARCVSLLDPOHL-OAHLLOKOSA-N 0 0 254.333 3.580 10 0 CHAERN Nc1ccc(SCc2ccc(Cl)cc2)cn1 ZINC000037192693 173022490 /nfs/dbraw/zinc/02/24/90/173022490.db2.gz QCIIOPNUHJEUQT-UHFFFAOYSA-N 0 0 250.754 3.610 10 0 CHAERN Clc1cccc(NCc2cnc3ccccc3n2)c1 ZINC000037202464 173026235 /nfs/dbraw/zinc/02/62/35/173026235.db2.gz MTUDMFLOODNKQY-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN COc1ccccc1C[C@H](C)Nc1cccnc1Cl ZINC000037283659 173090746 /nfs/dbraw/zinc/09/07/46/173090746.db2.gz XJUQIWCHQDXXAX-NSHDSACASA-N 0 0 276.767 3.787 10 0 CHAERN COC(=O)CCCOc1cc(C)ccc1C(C)(C)C ZINC000037286922 173093541 /nfs/dbraw/zinc/09/35/41/173093541.db2.gz PGSJAMDMFMFMQB-UHFFFAOYSA-N 0 0 264.365 3.625 10 0 CHAERN CCOC(=O)c1ccccc1NCC1CCCCC1 ZINC000037301473 173107579 /nfs/dbraw/zinc/10/75/79/173107579.db2.gz FLCVOLMHKSLSJI-UHFFFAOYSA-N 0 0 261.365 3.856 10 0 CHAERN COC(=O)c1ccccc1N[C@H](C)c1ccc(C)o1 ZINC000037308260 173110982 /nfs/dbraw/zinc/11/09/82/173110982.db2.gz LXFUTQNYFKGHMY-LLVKDONJSA-N 0 0 259.305 3.548 10 0 CHAERN CCOC(=O)c1ccccc1N[C@@H](C)c1ccco1 ZINC000037308415 173111080 /nfs/dbraw/zinc/11/10/80/173111080.db2.gz FPLFWLUWAUJHBA-NSHDSACASA-N 0 0 259.305 3.629 10 0 CHAERN Cc1cccc(-c2[nH]nc(N)c2-c2ccccc2C)c1 ZINC000037348282 173143842 /nfs/dbraw/zinc/14/38/42/173143842.db2.gz RXGNZHBEUQPUFT-UHFFFAOYSA-N 0 0 263.344 3.943 10 0 CHAERN CCOc1ccc(-c2c(N)onc2[C@H](C)CC)cc1 ZINC000037351015 173144630 /nfs/dbraw/zinc/14/46/30/173144630.db2.gz PJDHHFNIHXURDM-SNVBAGLBSA-N 0 0 260.337 3.836 10 0 CHAERN O=C(c1c(F)cccc1F)c1c(F)cc(F)cc1F ZINC000037358883 173148561 /nfs/dbraw/zinc/14/85/61/173148561.db2.gz UTBPFVZGTYDXOH-UHFFFAOYSA-N 0 0 272.172 3.613 10 0 CHAERN Cc1ccccc1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000037368085 173157916 /nfs/dbraw/zinc/15/79/16/173157916.db2.gz OLPRUVROMONXEX-UHFFFAOYSA-N 0 0 253.276 3.846 10 0 CHAERN C[C@@H]1CCC[C@H](Oc2ccc3ncccc3c2N)C1 ZINC000037378652 173167316 /nfs/dbraw/zinc/16/73/16/173167316.db2.gz RJUSUMQQHGPPTM-NEPJUHHUSA-N 0 0 256.349 3.775 10 0 CHAERN C[C@](O)(Cc1cccc(Br)c1)c1ccccc1 ZINC000037530483 173252754 /nfs/dbraw/zinc/25/27/54/173252754.db2.gz ZBYOVDJLZXAOCI-HNNXBMFYSA-N 0 0 291.188 3.899 10 0 CHAERN COc1ccccc1[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000037531144 173253295 /nfs/dbraw/zinc/25/32/95/173253295.db2.gz AIAURAQUSCNRIU-MRXNPFEDSA-N 0 0 276.763 3.799 10 0 CHAERN COc1cccc([C@@H](O)Cc2ccccc2Cl)c1 ZINC000037532155 173253370 /nfs/dbraw/zinc/25/33/70/173253370.db2.gz HCUIJANPZOCMIU-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN Cc1cc(C)cc([C@]2(O)CCc3ccccc3C2)c1 ZINC000037745902 173668126 /nfs/dbraw/zinc/66/81/26/173668126.db2.gz ZVQONAFPBFQMTL-SFHVURJKSA-N 0 0 252.357 3.680 10 0 CHAERN CCOC(=O)[C@@H](Nc1ccccc1)C1CCCCC1 ZINC000037954270 173895858 /nfs/dbraw/zinc/89/58/58/173895858.db2.gz XGPCWEUYIODONI-HNNXBMFYSA-N 0 0 261.365 3.611 10 0 CHAERN CCc1c(C)nc2c(OC)cc(OC)cc2c1Cl ZINC000038004128 173966072 /nfs/dbraw/zinc/96/60/72/173966072.db2.gz QNUQBZRDLBPCJN-UHFFFAOYSA-N 0 0 265.740 3.776 10 0 CHAERN CCCOc1cccc(CNc2cccnc2N(C)C)c1 ZINC000038038313 174038494 /nfs/dbraw/zinc/03/84/94/174038494.db2.gz PQHLCHRCAJLRHS-UHFFFAOYSA-N 0 0 285.391 3.549 10 0 CHAERN Nc1cc(F)c(Oc2ccc(F)c(F)c2)c(F)c1 ZINC000038040382 174040356 /nfs/dbraw/zinc/04/03/56/174040356.db2.gz FYMLHHNFXGUMPI-UHFFFAOYSA-N 0 0 257.186 3.618 10 0 CHAERN Nc1cc(F)c(Nc2ccc(F)cc2F)c(F)c1 ZINC000038040009 174040405 /nfs/dbraw/zinc/04/04/05/174040405.db2.gz PVSWCYNKSFNALY-UHFFFAOYSA-N 0 0 256.202 3.569 10 0 CHAERN CCn1c(CN[C@H](C)c2ccc(C)o2)nc2ccccc21 ZINC000038046805 174055706 /nfs/dbraw/zinc/05/57/06/174055706.db2.gz SLXAUETVYFAMNG-CYBMUJFWSA-N 0 0 283.375 3.808 10 0 CHAERN Cc1cccc2oc([C@@H]3CNc4ccccc4O3)nc21 ZINC000038052763 174064204 /nfs/dbraw/zinc/06/42/04/174064204.db2.gz GBXOULNAVVDUFJ-AWEZNQCLSA-N 0 0 266.300 3.682 10 0 CHAERN Clc1ccc(COc2cccc3c2NCCC3)cn1 ZINC000038056208 174067070 /nfs/dbraw/zinc/06/70/70/174067070.db2.gz KKOBIIIIJBLBOU-UHFFFAOYSA-N 0 0 274.751 3.672 10 0 CHAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000038066003 174077357 /nfs/dbraw/zinc/07/73/57/174077357.db2.gz DRSDOEMXIOLIRK-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000038066550 174077374 /nfs/dbraw/zinc/07/73/74/174077374.db2.gz JUYSLGXMEAVGLR-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000038065996 174077727 /nfs/dbraw/zinc/07/77/27/174077727.db2.gz XXUNPHBZTWMLCH-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN COc1ccc(Cl)cc1-c1ccc(C=O)c(F)c1 ZINC000038069672 174080970 /nfs/dbraw/zinc/08/09/70/174080970.db2.gz QTDSQNURWLOSGO-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN COCCc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000038071778 174082567 /nfs/dbraw/zinc/08/25/67/174082567.db2.gz SCBIQAYZWRHRBH-UHFFFAOYSA-N 0 0 254.329 3.745 10 0 CHAERN C[C@H]1Cc2cc(-c3ccc(C=O)c(F)c3)ccc2O1 ZINC000038071926 174082637 /nfs/dbraw/zinc/08/26/37/174082637.db2.gz POPWJSAHMNJUNS-JTQLQIEISA-N 0 0 256.276 3.629 10 0 CHAERN C[C@H](Nc1nc2ccccc2o1)c1ccc(N)cc1 ZINC000038074704 174084684 /nfs/dbraw/zinc/08/46/84/174084684.db2.gz QEHDZWNMMCRZOW-JTQLQIEISA-N 0 0 253.305 3.583 10 0 CHAERN Nc1ccc(Oc2nc3ccccc3o2)c(Cl)c1 ZINC000038074671 174084706 /nfs/dbraw/zinc/08/47/06/174084706.db2.gz XUNSXMCHKWGPJU-UHFFFAOYSA-N 0 0 260.680 3.856 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)Nc2cccc(F)c2)c1 ZINC000038076225 174086952 /nfs/dbraw/zinc/08/69/52/174086952.db2.gz TUGPTJIUKOCZAM-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN CCOc1cccc(C(=O)c2ccccc2Cl)c1 ZINC000038078354 174088957 /nfs/dbraw/zinc/08/89/57/174088957.db2.gz WXXLVRVMRCYDIJ-UHFFFAOYSA-N 0 0 260.720 3.970 10 0 CHAERN CCCOc1ccc(Oc2cncc(Cl)n2)cc1 ZINC000038082380 174091115 /nfs/dbraw/zinc/09/11/15/174091115.db2.gz BOCWDBMOQVVPFL-UHFFFAOYSA-N 0 0 264.712 3.711 10 0 CHAERN Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(O)cc2)s1 ZINC000038090067 174103403 /nfs/dbraw/zinc/10/34/03/174103403.db2.gz FYWMSRYOFPKTFY-LLVKDONJSA-N 0 0 275.373 3.595 10 0 CHAERN Brc1cnc2nc(-c3ccccc3)oc2c1 ZINC000038219307 174137354 /nfs/dbraw/zinc/13/73/54/174137354.db2.gz NEMQPGCBCYNISV-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN COc1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000038777637 174154491 /nfs/dbraw/zinc/15/44/91/174154491.db2.gz LMISAFRBGGHVQM-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN CCc1cnn2c1nc(-c1ccccc1)cc2Cl ZINC000039956129 174179004 /nfs/dbraw/zinc/17/90/04/174179004.db2.gz XUDAKWNTVKTGRD-UHFFFAOYSA-N 0 0 257.724 3.612 10 0 CHAERN CCc1nc2ccccc2n1Cc1ccc(OC)cc1 ZINC000040227335 174208483 /nfs/dbraw/zinc/20/84/83/174208483.db2.gz GJJPEIFEIBLJDC-UHFFFAOYSA-N 0 0 266.344 3.656 10 0 CHAERN Cn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225622 174208933 /nfs/dbraw/zinc/20/89/33/174208933.db2.gz KPVMBKXJZSUNSN-UHFFFAOYSA-N 0 0 256.736 3.818 10 0 CHAERN CCC(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12 ZINC000040359506 174246372 /nfs/dbraw/zinc/24/63/72/174246372.db2.gz HSBWREBSZYFCSL-UHFFFAOYSA-N 0 0 262.740 3.854 10 0 CHAERN FC(F)(F)c1ccc2c(c1)ncn2Cc1ccco1 ZINC000040409560 174253974 /nfs/dbraw/zinc/25/39/74/174253974.db2.gz BDYHJJWKNKRHCW-UHFFFAOYSA-N 0 0 266.222 3.696 10 0 CHAERN CCn1nc(Cc2ccccc2Cl)c2ccccc2c1=O ZINC000040564059 174336253 /nfs/dbraw/zinc/33/62/53/174336253.db2.gz YCPFNWMQJIRPLA-UHFFFAOYSA-N 0 0 298.773 3.661 10 0 CHAERN Nc1c(Cl)ncnc1Sc1ccc(Cl)cc1 ZINC000040571722 174338424 /nfs/dbraw/zinc/33/84/24/174338424.db2.gz SETVQQWODALTFE-UHFFFAOYSA-N 0 0 272.160 3.517 10 0 CHAERN CCN(c1cccc(C)c1)c1ncnc(NC(C)(C)C)c1N ZINC000040661683 174366082 /nfs/dbraw/zinc/36/60/82/174366082.db2.gz IXMVSVUQWVXEKC-UHFFFAOYSA-N 0 0 299.422 3.736 10 0 CHAERN Cc1cc(C)cc(Nc2ncnc(NC(C)(C)C)c2N)c1 ZINC000040680345 174374855 /nfs/dbraw/zinc/37/48/55/174374855.db2.gz MZKPTNIKFVUJCB-UHFFFAOYSA-N 0 0 285.395 3.630 10 0 CHAERN CCCNc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040707607 174379966 /nfs/dbraw/zinc/37/99/66/174379966.db2.gz ZSKQVEHSBBDNPR-UHFFFAOYSA-N 0 0 294.811 3.685 10 0 CHAERN Nc1sc2cnccc2c1C(=O)c1ccccc1Cl ZINC000040753982 174396249 /nfs/dbraw/zinc/39/62/49/174396249.db2.gz VTSLBOKLTPUQDF-UHFFFAOYSA-N 0 0 288.759 3.763 10 0 CHAERN CCCCC(=O)NC(=S)Nc1ccc(Cl)cc1C ZINC000040898251 174429300 /nfs/dbraw/zinc/42/93/00/174429300.db2.gz LCXZLXUTOWYAPK-UHFFFAOYSA-N 0 0 284.812 3.652 10 0 CHAERN Cc1cccc2c(NC(=O)c3cccc(F)c3)ccnc12 ZINC000041057879 174465540 /nfs/dbraw/zinc/46/55/40/174465540.db2.gz NTYQAYICGTUEKM-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN Cc1occc1C(=O)Nc1ccnc2c(F)cccc12 ZINC000041058136 174465793 /nfs/dbraw/zinc/46/57/93/174465793.db2.gz BTVYFGHYBPYMEP-UHFFFAOYSA-N 0 0 270.263 3.528 10 0 CHAERN CCOc1ccccc1[C@@H](O)Cc1ccccc1F ZINC000041347152 174528746 /nfs/dbraw/zinc/52/87/46/174528746.db2.gz QAGCVXVKAFQPAP-HNNXBMFYSA-N 0 0 260.308 3.501 10 0 CHAERN COc1ccccc1NCCOc1cc(C)cc(C)c1 ZINC000041404157 174546682 /nfs/dbraw/zinc/54/66/82/174546682.db2.gz COTHVDWOCLWFPE-UHFFFAOYSA-N 0 0 271.360 3.803 10 0 CHAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1Cl ZINC000042289868 174675285 /nfs/dbraw/zinc/67/52/85/174675285.db2.gz ODURMLRHNXGAPV-RNCFNFMXSA-N 0 0 267.756 3.658 10 0 CHAERN CC(C)N(Cc1cccs1)c1cc(N)cc(F)c1 ZINC000042517563 174768740 /nfs/dbraw/zinc/76/87/40/174768740.db2.gz XAZGWEWFOCZKDI-UHFFFAOYSA-N 0 0 264.369 3.884 10 0 CHAERN Cc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 ZINC000043465593 175052867 /nfs/dbraw/zinc/05/28/67/175052867.db2.gz QDNCTWGSGILVRL-UHFFFAOYSA-N 0 0 291.420 3.542 10 0 CHAERN CCOC(=O)c1ccc(OCc2ccccc2)cc1C ZINC000043503422 175059319 /nfs/dbraw/zinc/05/93/19/175059319.db2.gz IHGIPRPBWSHPNH-UHFFFAOYSA-N 0 0 270.328 3.751 10 0 CHAERN Cc1cccc(OCc2sccc2Br)c1N ZINC000043674199 175088051 /nfs/dbraw/zinc/08/80/51/175088051.db2.gz FDASORBIOXDDMJ-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN O=C1CCCC[C@H]1Cc1sccc1Br ZINC000043676106 175088213 /nfs/dbraw/zinc/08/82/13/175088213.db2.gz FUWQNVGYYBHRDT-QMMMGPOBSA-N 0 0 273.195 3.812 10 0 CHAERN Cc1ccc(N)cc1OCc1cc(Br)cs1 ZINC000043686623 175094359 /nfs/dbraw/zinc/09/43/59/175094359.db2.gz VNYKHVNWSDJSII-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Cn1ccnc1SCc1cc(Br)cs1 ZINC000043687736 175094804 /nfs/dbraw/zinc/09/48/04/175094804.db2.gz SQIDFOLUULHSRL-UHFFFAOYSA-N 0 0 289.223 3.536 10 0 CHAERN Oc1ccc(OCc2cc(Br)cs2)cc1 ZINC000043687959 175094955 /nfs/dbraw/zinc/09/49/55/175094955.db2.gz CZMHEJLACRSMBM-UHFFFAOYSA-N 0 0 285.162 3.795 10 0 CHAERN Cc1nccn1C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000044181116 175151518 /nfs/dbraw/zinc/15/15/18/175151518.db2.gz IKGZRXPCTLSNPT-GOSISDBHSA-N 0 0 278.355 3.592 10 0 CHAERN CC1(C)C[C@@H]1n1c(=S)[nH]nc1-c1cccs1 ZINC000045135834 175313509 /nfs/dbraw/zinc/31/35/09/175313509.db2.gz WTJLCMFOCMDSPG-QMMMGPOBSA-N 0 0 251.380 3.640 10 0 CHAERN CCOC(=O)c1cc2c(nc1C)-c1ccccc1CCC2 ZINC000045287359 175353858 /nfs/dbraw/zinc/35/38/58/175353858.db2.gz FWUUSODSRLMPCV-UHFFFAOYSA-N 0 0 281.355 3.722 10 0 CHAERN O=C(COc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000047820623 175413809 /nfs/dbraw/zinc/41/38/09/175413809.db2.gz CMWSFRBPQRAGTC-UHFFFAOYSA-N 0 0 270.206 3.560 10 0 CHAERN C[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1N ZINC000070828226 176007894 /nfs/dbraw/zinc/00/78/94/176007894.db2.gz PWCQOMNHXIPBSI-KWQFWETISA-N 0 0 269.186 3.632 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1cc(F)ccc1F ZINC000071167948 176049522 /nfs/dbraw/zinc/04/95/22/176049522.db2.gz VTQCDTWXRFUTOX-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN C[C@H](CNc1ccccc1)Oc1cc(F)ccc1F ZINC000071168973 176050158 /nfs/dbraw/zinc/05/01/58/176050158.db2.gz CTOYAPYLDZRJLF-LLVKDONJSA-N 0 0 263.287 3.844 10 0 CHAERN Cc1c(Cl)nnc(O[C@@H](C)c2ccccc2)c1C ZINC000071170668 176051339 /nfs/dbraw/zinc/05/13/39/176051339.db2.gz KSCGPUCAWUCEKK-NSHDSACASA-N 0 0 262.740 3.887 10 0 CHAERN CCCOC(=O)c1c(Cl)ccc(SCC)c1N ZINC000071414057 176158986 /nfs/dbraw/zinc/15/89/86/176158986.db2.gz UCRPVCOAWVSPKJ-UHFFFAOYSA-N 0 0 273.785 3.601 10 0 CHAERN COc1ccc(OC)c(-c2nc3ccc(N)cc3s2)c1 ZINC000071642996 176239540 /nfs/dbraw/zinc/23/95/40/176239540.db2.gz UTKUVRVDDZCBBG-UHFFFAOYSA-N 0 0 286.356 3.563 10 0 CHAERN CCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000071973493 176305918 /nfs/dbraw/zinc/30/59/18/176305918.db2.gz HSWYQPMJNOZBCF-UHFFFAOYSA-N 0 0 253.143 3.586 10 0 CHAERN COc1ccccc1-c1ccc(Br)cn1 ZINC000072191844 176336198 /nfs/dbraw/zinc/33/61/98/176336198.db2.gz ANGPUYMWRRGPEB-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN Clc1cccc(-n2nccc2-c2cccnc2)c1 ZINC000072190564 176336236 /nfs/dbraw/zinc/33/62/36/176336236.db2.gz WPZRNLAGIRLGOW-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Cc1cc(=O)c2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000072237286 176346196 /nfs/dbraw/zinc/34/61/96/176346196.db2.gz HZTJWRCVESLAMX-UHFFFAOYSA-N 0 0 261.630 3.509 10 0 CHAERN Fc1ccc(-n2c(=S)[nH]c3cccc(F)c32)cc1 ZINC000075953829 176844245 /nfs/dbraw/zinc/84/42/45/176844245.db2.gz VABAVAJSMUTRLF-UHFFFAOYSA-N 0 0 262.284 3.966 10 0 CHAERN CC[C@@H](CCCCO[C@@H]1CCCCO1)C(=O)OC(C)C ZINC000077292403 177250343 /nfs/dbraw/zinc/25/03/43/177250343.db2.gz RICKYRZOKCFSNA-GJZGRUSLSA-N 0 0 286.412 3.678 10 0 in-vitro CHAERN Cc1ccc(C)c(NC(=O)c2ccc3nc(N)sc3c2)c1 ZINC000078430391 177341166 /nfs/dbraw/zinc/34/11/66/177341166.db2.gz QMTFEMOPCWOREK-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C ZINC000078519842 177349335 /nfs/dbraw/zinc/34/93/35/177349335.db2.gz LMEUPVSLUWJDIU-YDHLFZDLSA-N 0 0 260.381 3.544 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[C@H]32)c1 ZINC000336366296 226940480 /nfs/dbraw/zinc/94/04/80/226940480.db2.gz UZLWNARXLBWDRP-ZWNOBZJWSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1ccccc1C1CC(NCC(F)(F)C(F)F)C1 ZINC000191776024 227165968 /nfs/dbraw/zinc/16/59/68/227165968.db2.gz BUEFCCKDTQQZPN-UHFFFAOYSA-N 0 0 275.289 3.731 10 0 CHAERN c1ccc2c(c1)CCC[C@@H]2Nc1nnc(C2CC2)s1 ZINC000301663884 227632967 /nfs/dbraw/zinc/63/29/67/227632967.db2.gz NMKABWGPCJNJHS-ZDUSSCGKSA-N 0 0 271.389 3.905 10 0 CHAERN C[C@H]1CCN(c2c(F)c(F)nc(F)c2F)C[C@@H](C)C1 ZINC000301786167 227677879 /nfs/dbraw/zinc/67/78/79/227677879.db2.gz WCTZBYIDCQUBGJ-YUMQZZPRSA-N 0 0 276.277 3.510 10 0 CHAERN Cc1cc(C)c(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(C)c1 ZINC000336183841 228208427 /nfs/dbraw/zinc/20/84/27/228208427.db2.gz VRNQIKJUAJVTTH-KBPBESRZSA-N 0 0 258.365 3.628 10 0 CHAERN C[C@H]1CC(c2noc(-c3cnc(C4CC4)nc3)n2)C[C@H](C)C1 ZINC000333233420 228194554 /nfs/dbraw/zinc/19/45/54/228194554.db2.gz YOOUOJZKSHEJMA-GHMZBOCLSA-N 0 0 298.390 3.944 10 0 CHAERN Cc1nc(C2CC2)oc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333251469 228194810 /nfs/dbraw/zinc/19/48/10/228194810.db2.gz RZMBVAHBWBFKMX-UHFFFAOYSA-N 0 0 287.363 3.988 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179452738 260048694 /nfs/dbraw/zinc/04/86/94/260048694.db2.gz JFSVGMKJABCMHC-IAQYHMDHSA-N 0 0 263.356 3.611 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cc(-n3cnnn3)ccc2C)s1 ZINC000037011875 260062476 /nfs/dbraw/zinc/06/24/76/260062476.db2.gz BKKZNOAWFYAYFC-GFCCVEGCSA-N 0 0 299.403 3.514 10 0 CHAERN O=C(Nc1ccc(Cl)c(F)c1)c1ccc2c(c1)CCN2 ZINC000037030499 260063297 /nfs/dbraw/zinc/06/32/97/260063297.db2.gz UNIWIZLGONPXRP-UHFFFAOYSA-N 0 0 290.725 3.699 10 0 CHAERN Cc1ccc(N[C@H]2CC(=O)N(C)c3ccccc32)cc1F ZINC000037213291 260074971 /nfs/dbraw/zinc/07/49/71/260074971.db2.gz AWLJSKJWWJYZEP-HNNXBMFYSA-N 0 0 284.334 3.654 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C2)CC(C)(C)C1 ZINC000180092953 260092891 /nfs/dbraw/zinc/09/28/91/260092891.db2.gz AIXGQRRPJREEIG-CJNGLKHVSA-N 0 0 271.404 3.991 10 0 CHAERN O=Cc1cc(Br)c(Cl)cc1Cl ZINC000307272924 260137018 /nfs/dbraw/zinc/13/70/18/260137018.db2.gz GVXNZEOOJQBXKS-UHFFFAOYSA-N 0 0 253.910 3.568 10 0 CHAERN CCCn1ccc(CNc2ccccc2-n2cccn2)c1 ZINC000091011004 260264512 /nfs/dbraw/zinc/26/45/12/260264512.db2.gz HYWXXTLCHAERPZ-UHFFFAOYSA-N 0 0 280.375 3.696 10 0 CHAERN CCCn1ccc(CNc2ccc3oc(C)nc3c2)c1 ZINC000091009829 260264805 /nfs/dbraw/zinc/26/48/05/260264805.db2.gz YGKROFQXPSYQCV-UHFFFAOYSA-N 0 0 269.348 3.960 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cs1 ZINC000408153720 260297125 /nfs/dbraw/zinc/29/71/25/260297125.db2.gz LIRKGXSFULBTTK-MRBYEJRBSA-N 0 0 295.452 3.636 10 0 CHAERN CC[C@@H](NC(=O)c1cc(N)ccc1C)c1cccs1 ZINC000049528222 260663158 /nfs/dbraw/zinc/66/31/58/260663158.db2.gz YXHMTIYLKBCKBM-CYBMUJFWSA-N 0 0 274.389 3.520 10 0 CHAERN CC(C)=CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151687044 261054289 /nfs/dbraw/zinc/05/42/89/261054289.db2.gz UTUIEEHEMPLZHK-OAHLLOKOSA-N 0 0 285.387 3.905 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)o1 ZINC000153072855 261073106 /nfs/dbraw/zinc/07/31/06/261073106.db2.gz AMBMBPJLSBXAPC-LSDHHAIUSA-N 0 0 291.391 3.601 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C2=C(C)OCCC2)o1 ZINC000153277105 261075735 /nfs/dbraw/zinc/07/57/35/261075735.db2.gz GGRYIEQNBGRXKR-HNNXBMFYSA-N 0 0 289.375 3.726 10 0 CHAERN CCc1nc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000154386605 261091139 /nfs/dbraw/zinc/09/11/39/261091139.db2.gz XNHMIOYAUFLYQW-LBPRGKRZSA-N 0 0 287.407 3.780 10 0 CHAERN CC(C)[C@@H](C)NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000154442658 261091635 /nfs/dbraw/zinc/09/16/35/261091635.db2.gz QHKQQBNWMUXDQB-WDEREUQCSA-N 0 0 269.335 3.619 10 0 CHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1Cc2ccccc2C1 ZINC000154675139 261093939 /nfs/dbraw/zinc/09/39/39/261093939.db2.gz BWHWIIJTGISQMA-SJORKVTESA-N 0 0 269.388 3.745 10 0 CHAERN CCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000155520668 261102896 /nfs/dbraw/zinc/10/28/96/261102896.db2.gz OKKVUGZGYPZPMO-HOTGVXAUSA-N 0 0 272.392 3.651 10 0 CHAERN CC(C)(NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000156289989 261119097 /nfs/dbraw/zinc/11/90/97/261119097.db2.gz OOEZGHITNAIAIU-STQMWFEESA-N 0 0 292.448 3.711 10 0 CHAERN O=C(Nc1ccc(O)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000173374701 261163038 /nfs/dbraw/zinc/16/30/38/261163038.db2.gz YXIRVQWWKHUCDJ-LSDHHAIUSA-N 0 0 259.349 3.547 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc3ccn(C)c3c2)o1 ZINC000173833196 261171129 /nfs/dbraw/zinc/17/11/29/261171129.db2.gz QJFXPXVIFBYMAW-LBPRGKRZSA-N 0 0 297.358 3.962 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000174325225 261182893 /nfs/dbraw/zinc/18/28/93/261182893.db2.gz QVFPCCYIZUDHDH-JTQLQIEISA-N 0 0 288.313 3.957 10 0 CHAERN C[C@H](Nc1ncc(Cl)cc1Br)C1CC1 ZINC000159547181 261188172 /nfs/dbraw/zinc/18/81/72/261188172.db2.gz WKTRRTDUFRRVEM-LURJTMIESA-N 0 0 275.577 3.708 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000174979902 261205118 /nfs/dbraw/zinc/20/51/18/261205118.db2.gz ASFNSKDOBNBGPN-XUJVJEKNSA-N 0 0 293.357 3.763 10 0 CHAERN CC(C)[C@H](C)NC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000175297571 261217032 /nfs/dbraw/zinc/21/70/32/261217032.db2.gz GVILRJJXHIETFA-JTQLQIEISA-N 0 0 284.350 3.544 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)c1cc[nH]n1 ZINC000102613887 261268557 /nfs/dbraw/zinc/26/85/57/261268557.db2.gz BZDFHZRMKRLQOG-UHFFFAOYSA-N 0 0 291.782 3.506 10 0 CHAERN Fc1ccc(SCCc2ccncc2)cc1F ZINC000102664708 261270307 /nfs/dbraw/zinc/27/03/07/261270307.db2.gz AZUVGQDUVBBSCI-UHFFFAOYSA-N 0 0 251.301 3.695 10 0 CHAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103403966 261282112 /nfs/dbraw/zinc/28/21/12/261282112.db2.gz MECMCCIIAWMEDH-STQMWFEESA-N 0 0 295.448 3.647 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000162633027 261289193 /nfs/dbraw/zinc/28/91/93/261289193.db2.gz DQOLMSLWPNQWAH-LRDDRELGSA-N 0 0 255.361 3.707 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(F)c(F)c1F ZINC000176762232 261309040 /nfs/dbraw/zinc/30/90/40/261309040.db2.gz LKUFMTHQAXSDGA-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN COc1ccsc1C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000105959912 261319042 /nfs/dbraw/zinc/31/90/42/261319042.db2.gz GTHPAEXXHNQCKI-SNVBAGLBSA-N 0 0 291.372 3.716 10 0 CHAERN CC(=O)c1c(F)cccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000105881096 261362282 /nfs/dbraw/zinc/36/22/82/261362282.db2.gz PPOAAYBNKKWXIQ-SNVBAGLBSA-N 0 0 289.272 3.807 10 0 CHAERN CCC1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000177827659 261370523 /nfs/dbraw/zinc/37/05/23/261370523.db2.gz AOZCICARUMAQKK-WDEREUQCSA-N 0 0 277.330 3.804 10 0 CHAERN C[C@H](CC(=O)Nc1ccc2c(c1)CCN2)C(C)(C)C ZINC000108943495 261389438 /nfs/dbraw/zinc/38/94/38/261389438.db2.gz WGUFOLWKUGFWNM-LLVKDONJSA-N 0 0 260.381 3.665 10 0 CHAERN Clc1ncccc1CN1CCCC[C@H]1c1nccs1 ZINC000171081351 261457441 /nfs/dbraw/zinc/45/74/41/261457441.db2.gz VYHDRGUVXCZBFG-LBPRGKRZSA-N 0 0 293.823 3.919 10 0 CHAERN c1csc([C@H]2CCCCN2c2ccnc(C3CC3)n2)n1 ZINC000171986155 261489796 /nfs/dbraw/zinc/48/97/96/261489796.db2.gz JIMWIUFNBYKXBQ-GFCCVEGCSA-N 0 0 286.404 3.542 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)C2CC2)o1 ZINC000178512779 261747110 /nfs/dbraw/zinc/74/71/10/261747110.db2.gz DMQKXLGSGWCFHE-SWLSCSKDSA-N 0 0 275.392 3.942 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2nccs2)CC(C)(C)C1 ZINC000180343034 261855149 /nfs/dbraw/zinc/85/51/49/261855149.db2.gz NZLRBSXEVABYSW-VXGBXAGGSA-N 0 0 280.437 3.564 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCCOC(C)C)o1 ZINC000182853768 261953437 /nfs/dbraw/zinc/95/34/37/261953437.db2.gz RDWDXEMCNSTXAU-OAHLLOKOSA-N 0 0 293.407 3.847 10 0 CHAERN C[C@@H](CSCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000183293132 261970622 /nfs/dbraw/zinc/97/06/22/261970622.db2.gz LHMOBXZJVNBEIB-LBPRGKRZSA-N 0 0 287.432 3.729 10 0 CHAERN CCc1nnc(CSCCCCc2ccccc2)n1C ZINC000184833468 262031021 /nfs/dbraw/zinc/03/10/21/262031021.db2.gz LDMUKGCJNPVXAL-UHFFFAOYSA-N 0 0 289.448 3.634 10 0 CHAERN Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2C[C@H]2C)c1C ZINC000186526719 262316022 /nfs/dbraw/zinc/31/60/22/262316022.db2.gz OWZIQDQOFRBVFG-YGRLFVJLSA-N 0 0 269.344 3.702 10 0 CHAERN CC(C)(C)[C@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270150 262342604 /nfs/dbraw/zinc/34/26/04/262342604.db2.gz QZBFKIMYTMLBCT-CQCMJFKXSA-N 0 0 289.423 3.583 10 0 CHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000055274565 262344510 /nfs/dbraw/zinc/34/45/10/262344510.db2.gz OQTRPOVHSBAOLV-NWDGAFQWSA-N 0 0 271.282 3.538 10 0 CHAERN C[C@H]1C[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000052291686 264057566 /nfs/dbraw/zinc/05/75/66/264057566.db2.gz SQXSGVWMYFWOKL-YLWLKBPMSA-N 0 0 250.651 3.574 10 0 CHAERN CCc1nc(Cl)c(C)c(N[C@H](C)c2ccco2)n1 ZINC000093536615 264510460 /nfs/dbraw/zinc/51/04/60/264510460.db2.gz ZCEIPUFYCAZIEK-SECBINFHSA-N 0 0 265.744 3.767 10 0 CHAERN C[C@@H](Nc1noc(-c2ccccc2)n1)c1cccc(O)c1 ZINC000184563701 264812750 /nfs/dbraw/zinc/81/27/50/264812750.db2.gz JDKSURIMYOERHA-LLVKDONJSA-N 0 0 281.315 3.615 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncc(Cl)cn2)cc1F ZINC000095016437 265285503 /nfs/dbraw/zinc/28/55/03/265285503.db2.gz VTWLMHMUESYBHX-SECBINFHSA-N 0 0 265.719 3.751 10 0 CHAERN CCC[C@H](CC)NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114826743 266700621 /nfs/dbraw/zinc/70/06/21/266700621.db2.gz BANZSONKLWVNMQ-OLZOCXBDSA-N 0 0 295.452 3.611 10 0 CHAERN Clc1ncc(CN2C[C@@H]3CCCCC[C@H]32)s1 ZINC000363037927 267073583 /nfs/dbraw/zinc/07/35/83/267073583.db2.gz PYRYKPMMJISWBY-GXSJLCMTSA-N 0 0 256.802 3.561 10 0 CHAERN O=C(c1ccc(Cl)cc1O)N1CCC[C@@H]1c1ccco1 ZINC000116048113 267121246 /nfs/dbraw/zinc/12/12/46/267121246.db2.gz YAHUNVZHJCOAAM-GFCCVEGCSA-N 0 0 291.734 3.616 10 0 CHAERN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccco1 ZINC000116043430 267121260 /nfs/dbraw/zinc/12/12/60/267121260.db2.gz ICSBDYWYFUBLQH-MRXNPFEDSA-N 0 0 281.355 3.746 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)o1 ZINC000116420863 267151809 /nfs/dbraw/zinc/15/18/09/267151809.db2.gz IFTWFNLTYAXCML-CHWSQXEVSA-N 0 0 288.347 3.789 10 0 CHAERN CCc1nc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cs1 ZINC000119531508 267344007 /nfs/dbraw/zinc/34/40/07/267344007.db2.gz AXTJNJCOAIZJFE-KGLIPLIRSA-N 0 0 292.448 3.538 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1C[C@@H]2CCCCC[C@@H]21 ZINC000371171038 267359017 /nfs/dbraw/zinc/35/90/17/267359017.db2.gz SHEHILFFPDFSIA-LRDDRELGSA-N 0 0 268.360 3.573 10 0 CHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc2ccccc2c1 ZINC000123421560 268052607 /nfs/dbraw/zinc/05/26/07/268052607.db2.gz HTRHVEHQMAAKJK-IIYDPXPESA-N 0 0 283.371 3.585 10 0 CHAERN CC(C)n1ccnc1CN1CCCc2cccc(F)c21 ZINC000170958061 327679623 /nfs/dbraw/zinc/67/96/23/327679623.db2.gz REYXFGRHUZVXDG-UHFFFAOYSA-N 0 0 273.355 3.556 10 0 CHAERN CSCc1ccccc1NC(=O)N1CCS[C@@H](C)C1 ZINC000184811613 327833558 /nfs/dbraw/zinc/83/35/58/327833558.db2.gz FHTWDWBPHSKOFU-NSHDSACASA-N 0 0 296.461 3.519 10 0 CHAERN Cc1ccc(C)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117559156 327902615 /nfs/dbraw/zinc/90/26/15/327902615.db2.gz SGGNKFQYYNJFTG-SUMWQHHRSA-N 0 0 281.355 3.807 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)NCCC2CCCC2)o1 ZINC000048059904 328039523 /nfs/dbraw/zinc/03/95/23/328039523.db2.gz UEHJALMDFGEUNB-GFCCVEGCSA-N 0 0 264.369 3.529 10 0 CHAERN Cc1cscc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000176730356 329176412 /nfs/dbraw/zinc/17/64/12/329176412.db2.gz RTEMMLPXRAXYMC-GFCCVEGCSA-N 0 0 261.346 3.627 10 0 CHAERN CCn1ccnc1CSCc1c(F)cccc1F ZINC000182837546 329245382 /nfs/dbraw/zinc/24/53/82/329245382.db2.gz GNSLCRUEKDIDGH-UHFFFAOYSA-N 0 0 268.332 3.615 10 0 CHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccccc2)cc1C ZINC000101603930 328360670 /nfs/dbraw/zinc/36/06/70/328360670.db2.gz YMSJLUKSUWQZLU-UHFFFAOYSA-N 0 0 298.386 3.976 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(F)c(C)c2)o1 ZINC000343175211 328428197 /nfs/dbraw/zinc/42/81/97/328428197.db2.gz FLXWREMIWBNITF-GFCCVEGCSA-N 0 0 275.323 3.835 10 0 CHAERN CC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000109105467 326824701 /nfs/dbraw/zinc/82/47/01/326824701.db2.gz DVGNEQDBNUPSGJ-QWHCGFSZSA-N 0 0 293.357 3.765 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)NCc2ccccn2)cc1 ZINC000053248325 326933646 /nfs/dbraw/zinc/93/36/46/326933646.db2.gz TVNDEPVHBYYNSO-AWEZNQCLSA-N 0 0 297.402 3.765 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(C)cc(Cl)c2)o1 ZINC000339394336 327010323 /nfs/dbraw/zinc/01/03/23/327010323.db2.gz QRHGVQZFCIISSO-LLVKDONJSA-N 0 0 264.756 3.796 10 0 CHAERN C[C@H](COCc1ccccc1)[NH2+]Cc1ccc(Cl)o1 ZINC000344690224 327048122 /nfs/dbraw/zinc/04/81/22/327048122.db2.gz WMZBYGYXYYFPOY-GFCCVEGCSA-N 0 0 279.767 3.628 10 0 CHAERN C[C@@H](NCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000047865991 327113194 /nfs/dbraw/zinc/11/31/94/327113194.db2.gz LGOLXHYUEBTCMN-LLVKDONJSA-N 0 0 285.372 3.649 10 0 CHAERN Oc1cncc(/C=C\c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000569401651 327172384 /nfs/dbraw/zinc/17/23/84/327172384.db2.gz AJTCVJVGIHFJGE-PLNGDYQASA-N 0 0 299.717 3.661 10 0 CHAERN C[C@H]1C[C@H](c2noc(-c3cncc(F)c3)n2)C[C@@H](C)C1 ZINC000408222878 327297805 /nfs/dbraw/zinc/29/78/05/327297805.db2.gz CACJACMHISOUHA-URLYPYJESA-N 0 0 275.327 3.810 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000151215974 327458678 /nfs/dbraw/zinc/45/86/78/327458678.db2.gz KZQWLMTUTBFVIM-RISCZKNCSA-N 0 0 273.401 3.749 10 0 CHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000151582848 327480202 /nfs/dbraw/zinc/48/02/02/327480202.db2.gz SWOSEUJZLKWTPF-SUMWQHHRSA-N 0 0 296.370 3.563 10 0 CHAERN CCCCN(C(=O)[C@@H](C)COC)[C@H](C)c1ccccc1 ZINC000103373342 328768275 /nfs/dbraw/zinc/76/82/75/328768275.db2.gz IFXUWTXCJRSGTN-LSDHHAIUSA-N 0 0 277.408 3.659 10 0 CHAERN O=C(Cc1ccsc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042850101 328772573 /nfs/dbraw/zinc/77/25/73/328772573.db2.gz MVGOETPDAFGKRY-MNOVXSKESA-N 0 0 291.338 3.528 10 0 CHAERN CCC(CC)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000043630478 328808287 /nfs/dbraw/zinc/80/82/87/328808287.db2.gz RQSYQAVQHPKVJD-SECBINFHSA-N 0 0 270.323 3.514 10 0 CHAERN C[C@H](NCCF)c1c(Cl)ccc(F)c1Cl ZINC000308833164 332828288 /nfs/dbraw/zinc/82/82/88/332828288.db2.gz UZRFJZXCZHWCQL-LURJTMIESA-N 0 0 254.107 3.753 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116042357 328933954 /nfs/dbraw/zinc/93/39/54/328933954.db2.gz POZBWCMNORPLOI-ZBFHGGJFSA-N 0 0 299.370 3.719 10 0 CHAERN Cc1cc(C(=O)N2CC=C(c3cccs3)CC2)c(C)o1 ZINC000117720408 328942867 /nfs/dbraw/zinc/94/28/67/328942867.db2.gz RYGCVXUJSAHEBC-UHFFFAOYSA-N 0 0 287.384 3.887 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171614757 329074882 /nfs/dbraw/zinc/07/48/82/329074882.db2.gz GSIRIMDCTBYQHS-OAHLLOKOSA-N 0 0 288.435 3.689 10 0 CHAERN Cn1c(CN2CCC[C@@H]2c2ccco2)nc2ccccc21 ZINC000172029509 329083474 /nfs/dbraw/zinc/08/34/74/329083474.db2.gz WCYRNSCVKALYPB-OAHLLOKOSA-N 0 0 281.359 3.503 10 0 CHAERN O=C(OCC(F)(F)F)N1CC=C(c2cccs2)CC1 ZINC000172221199 329084226 /nfs/dbraw/zinc/08/42/26/329084226.db2.gz HUJFFEQDFYRMKE-UHFFFAOYSA-N 0 0 291.294 3.536 10 0 CHAERN Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3ccco3)cc2n1 ZINC000172242070 329084235 /nfs/dbraw/zinc/08/42/35/329084235.db2.gz PJCRKNKJCRIHLM-CYBMUJFWSA-N 0 0 296.326 3.707 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)c1cccc(F)c1 ZINC000173047864 329142527 /nfs/dbraw/zinc/14/25/27/329142527.db2.gz XMEOIFUKPNOFOU-IUODEOHRSA-N 0 0 287.334 3.886 10 0 CHAERN CC(C)NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173368436 329146490 /nfs/dbraw/zinc/14/64/90/329146490.db2.gz OUBUXHOXPAAVLJ-GFCCVEGCSA-N 0 0 295.452 3.564 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173408535 329146693 /nfs/dbraw/zinc/14/66/93/329146693.db2.gz FHVKQSGLQAVRLP-TZMCWYRMSA-N 0 0 294.464 3.984 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)CC(C)(C)C)C2)n1 ZINC000173417765 329146947 /nfs/dbraw/zinc/14/69/47/329146947.db2.gz SGKQBJDOARJNCA-LBPRGKRZSA-N 0 0 280.437 3.594 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1CCC[C@H]1c1ccco1 ZINC000173584484 329149572 /nfs/dbraw/zinc/14/95/72/329149572.db2.gz SNODZASJHBYJJM-AWEZNQCLSA-N 0 0 280.327 3.738 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC3CCC3)C2)cc1 ZINC000173622893 329149981 /nfs/dbraw/zinc/14/99/81/329149981.db2.gz XUFFQEGQTZTDFF-CZUORRHYSA-N 0 0 287.403 3.590 10 0 CHAERN C[C@H](C(=O)N1CC=C(c2ccccc2)CC1)c1cccnc1 ZINC000173624983 329150020 /nfs/dbraw/zinc/15/00/20/329150020.db2.gz DDBAGWGKBGHCLW-HNNXBMFYSA-N 0 0 292.382 3.501 10 0 CHAERN CC(C)CC1(C(=O)N[C@@H]2CCOc3ccccc32)CCC1 ZINC000176335011 329174615 /nfs/dbraw/zinc/17/46/15/329174615.db2.gz HZZCPUBAZWPIKI-OAHLLOKOSA-N 0 0 287.403 3.843 10 0 CHAERN CC[C@H](NC(=O)N1CCC2(CCC2)C1)c1cccs1 ZINC000176849743 329179266 /nfs/dbraw/zinc/17/92/66/329179266.db2.gz NGYBHEQSRKCMGO-LBPRGKRZSA-N 0 0 278.421 3.785 10 0 CHAERN CCC(=CC(=O)N1CCC(Cc2ccccn2)CC1)CC ZINC000177745990 329186559 /nfs/dbraw/zinc/18/65/59/329186559.db2.gz QEOWPLWGRNYCHF-UHFFFAOYSA-N 0 0 286.419 3.609 10 0 CHAERN CCc1noc(-c2ccc(C)c(NCc3cc[nH]c3)c2)n1 ZINC000178254406 329195049 /nfs/dbraw/zinc/19/50/49/329195049.db2.gz VDMONRNKWOYAJJ-UHFFFAOYSA-N 0 0 282.347 3.548 10 0 CHAERN Cc1cnc([C@H](C)NCc2c(F)cccc2Cl)o1 ZINC000220925826 329204094 /nfs/dbraw/zinc/20/40/94/329204094.db2.gz IMIZFLGLLOUJPY-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422961 329208210 /nfs/dbraw/zinc/20/82/10/329208210.db2.gz WGSINSYBUDGCSD-CJNGLKHVSA-N 0 0 295.411 3.978 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cncc(F)c1 ZINC000179812966 329212396 /nfs/dbraw/zinc/21/23/96/329212396.db2.gz FBJOPYSMUHXWMU-NSHDSACASA-N 0 0 299.349 3.669 10 0 CHAERN CC1(C)[C@H](Nc2ccc(-c3ncco3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000180082042 329215136 /nfs/dbraw/zinc/21/51/36/329215136.db2.gz UXBJEUZKSKZQLE-XHSDSOJGSA-N 0 0 298.386 3.957 10 0 CHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000180367075 329215420 /nfs/dbraw/zinc/21/54/20/329215420.db2.gz JSYDNPSGEBBERO-GOEBONIOSA-N 0 0 291.439 3.690 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(C)c2cccnc2)CC(C)(C)C1 ZINC000180469513 329217498 /nfs/dbraw/zinc/21/74/98/329217498.db2.gz VBFLNFXCXKKEDM-STQMWFEESA-N 0 0 260.381 3.507 10 0 CHAERN CC(=O)c1cnc(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180614754 329221202 /nfs/dbraw/zinc/22/12/02/329221202.db2.gz LZLFVTHQNMSLPR-KOLCDFICSA-N 0 0 294.420 3.747 10 0 CHAERN C[C@H]1C[C@@H](C(=O)NCc2ccc(Cl)cn2)CC(C)(C)C1 ZINC000180616833 329221281 /nfs/dbraw/zinc/22/12/81/329221281.db2.gz OYSKFSANDYVWIF-NWDGAFQWSA-N 0 0 294.826 3.814 10 0 CHAERN C[C@H]1C[C@@H](C(=O)Nc2cnn(CC(F)F)c2)CC(C)(C)C1 ZINC000180610893 329221380 /nfs/dbraw/zinc/22/13/80/329221380.db2.gz WFOUJBHTVVPMHA-WDEREUQCSA-N 0 0 299.365 3.549 10 0 CHAERN CCn1ccnc1CNc1c(F)cc(Cl)cc1Cl ZINC000180872876 329223764 /nfs/dbraw/zinc/22/37/64/329223764.db2.gz YBPXZNSKZOCXIF-UHFFFAOYSA-N 0 0 288.153 3.961 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182195043 329240419 /nfs/dbraw/zinc/24/04/19/329240419.db2.gz AIUGQBSGEQXWCX-IIAWOOMASA-N 0 0 274.408 3.673 10 0 CHAERN CCn1c(C)nnc1CN[C@@H](C)c1oc2ccccc2c1C ZINC000183560951 329248637 /nfs/dbraw/zinc/24/86/37/329248637.db2.gz HHPMXKJGDLJELY-LBPRGKRZSA-N 0 0 298.390 3.512 10 0 CHAERN CCn1c(C)nnc1CN[C@H](C)c1oc2ccccc2c1C ZINC000183560968 329248699 /nfs/dbraw/zinc/24/86/99/329248699.db2.gz HHPMXKJGDLJELY-GFCCVEGCSA-N 0 0 298.390 3.512 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1F)[C@H](C)C2 ZINC000184241561 329258155 /nfs/dbraw/zinc/25/81/55/329258155.db2.gz KTPNBCDZKDKBQB-BDJLRTHQSA-N 0 0 299.349 3.584 10 0 CHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000184814653 329262801 /nfs/dbraw/zinc/26/28/01/329262801.db2.gz ORBMENWBTBVAJR-DLBZAZTESA-N 0 0 269.388 3.594 10 0 CHAERN COCCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000185191362 329267303 /nfs/dbraw/zinc/26/73/03/329267303.db2.gz DINQRIYTNHIPHK-XJKSGUPXSA-N 0 0 289.419 3.804 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2ncc(Cl)cc2F)C1 ZINC000227079734 329268251 /nfs/dbraw/zinc/26/82/51/329268251.db2.gz PZMBRUXQENSSAU-VHSXEESVSA-N 0 0 274.792 3.960 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000185456825 329273785 /nfs/dbraw/zinc/27/37/85/329273785.db2.gz PMFNZFYNCIAJGE-KBPBESRZSA-N 0 0 275.417 3.656 10 0 CHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CC=C(c2cccs2)CC1 ZINC000185456865 329273815 /nfs/dbraw/zinc/27/38/15/329273815.db2.gz PMFNZFYNCIAJGE-UONOGXRCSA-N 0 0 275.417 3.656 10 0 CHAERN Cc1cccc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185864713 329333939 /nfs/dbraw/zinc/33/39/39/329333939.db2.gz LQJNXESTJIRIKF-UHFFFAOYSA-N 0 0 289.382 3.742 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccsc1 ZINC000186537345 329344819 /nfs/dbraw/zinc/34/48/19/329344819.db2.gz VGWRPCHTCPJZOS-JTQLQIEISA-N 0 0 287.388 3.899 10 0 CHAERN CN1Cc2cc(N[C@@H]3CCc4ccccc43)ccc2NC1=O ZINC000186553131 329345264 /nfs/dbraw/zinc/34/52/64/329345264.db2.gz NZLKWGBNQVIFOE-QGZVFWFLSA-N 0 0 293.370 3.763 10 0 CHAERN Cc1ccc([C@@H](C)Nc2nc(C(F)(F)F)ns2)o1 ZINC000228775377 329346152 /nfs/dbraw/zinc/34/61/52/329346152.db2.gz ACUCUJIGWPFZHH-ZCFIWIBFSA-N 0 0 277.271 3.631 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3coc(C)c3)C2)cc1 ZINC000187148317 329353673 /nfs/dbraw/zinc/35/36/73/329353673.db2.gz KSTVJTUKLTZHQC-DOMZBBRYSA-N 0 0 299.370 3.615 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000187770724 329360397 /nfs/dbraw/zinc/36/03/97/329360397.db2.gz OLPVIJIBOAAHQL-HNNXBMFYSA-N 0 0 285.391 3.671 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000187781571 329360673 /nfs/dbraw/zinc/36/06/73/329360673.db2.gz XXCMFTGIERQREU-OAHLLOKOSA-N 0 0 297.402 3.977 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)c2cccnc2c1C ZINC000188405236 329368530 /nfs/dbraw/zinc/36/85/30/329368530.db2.gz BPVMYEUKDDQQLJ-KGLIPLIRSA-N 0 0 298.386 3.605 10 0 CHAERN CC(C)=CCN[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000188440943 329368780 /nfs/dbraw/zinc/36/87/80/329368780.db2.gz CLAJIVIBYNUASD-KRWDZBQOSA-N 0 0 270.351 3.866 10 0 CHAERN CC(C)C[C@H](C)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000189648491 329385170 /nfs/dbraw/zinc/38/51/70/329385170.db2.gz MTLFGUPNUPVHTQ-SWLSCSKDSA-N 0 0 290.407 3.503 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2oc(CC(C)C)nc2C)o1 ZINC000190121666 329392166 /nfs/dbraw/zinc/39/21/66/329392166.db2.gz HAVSMKONBFNMPT-NSHDSACASA-N 0 0 290.363 3.574 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3c(O)cccc32)o1 ZINC000190121725 329392284 /nfs/dbraw/zinc/39/22/84/329392284.db2.gz XLIKEPVJCPVWBM-IUODEOHRSA-N 0 0 299.370 3.591 10 0 CHAERN O=C(c1ccoc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190287171 329394291 /nfs/dbraw/zinc/39/42/91/329394291.db2.gz DTOILJOSBAMPAC-LLVKDONJSA-N 0 0 291.297 3.578 10 0 CHAERN CCC[C@@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190374985 329395734 /nfs/dbraw/zinc/39/57/34/329395734.db2.gz VOYXVQRIVBDQEN-WOPDTQHZSA-N 0 0 266.385 3.892 10 0 CHAERN CCc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c(O)c1 ZINC000191673049 329416714 /nfs/dbraw/zinc/41/67/14/329416714.db2.gz SKRMZQYRHGUFAM-CQSZACIVSA-N 0 0 285.343 3.525 10 0 CHAERN O=C(CCC1CCCC1)N1CCC[C@H]1c1ccco1 ZINC000116048231 329544758 /nfs/dbraw/zinc/54/47/58/329544758.db2.gz YHBRDUYTKHKEIP-AWEZNQCLSA-N 0 0 261.365 3.914 10 0 CHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1Cl ZINC000117561047 329546206 /nfs/dbraw/zinc/54/62/06/329546206.db2.gz BSQYOCDXXRCICR-MEBBXXQBSA-N 0 0 287.746 3.843 10 0 CHAERN CSC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125200583 329579212 /nfs/dbraw/zinc/57/92/12/329579212.db2.gz HWWUTLGVFXWPBM-SLEUVZQESA-N 0 0 277.433 3.740 10 0 CHAERN C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)C[C@@H](C)O1 ZINC000046037558 329603943 /nfs/dbraw/zinc/60/39/43/329603943.db2.gz NCACQUPXGYMZCI-CHWSQXEVSA-N 0 0 294.464 3.800 10 0 CHAERN CC(C)c1csc(C(C)(C)C(=O)OC(C)(C)C)n1 ZINC000302415248 332874464 /nfs/dbraw/zinc/87/44/64/332874464.db2.gz JBXMXICTXWIASC-UHFFFAOYSA-N 0 0 269.410 3.886 10 0 CHAERN CCC1CCC(NC(=O)CCC(=O)c2cccs2)CC1 ZINC000074385689 329864241 /nfs/dbraw/zinc/86/42/41/329864241.db2.gz PIKPPNVLVKWPOK-UHFFFAOYSA-N 0 0 293.432 3.796 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H](C)C(C)C)C2)cc1 ZINC000246606981 329868182 /nfs/dbraw/zinc/86/81/82/329868182.db2.gz BUNXIYMHOALIFI-IIAWOOMASA-N 0 0 289.419 3.692 10 0 CHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000247361880 329879758 /nfs/dbraw/zinc/87/97/58/329879758.db2.gz KEVMAAYXYOZEBM-RCCFBDPRSA-N 0 0 298.430 3.962 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccnc3ccccc32)o1 ZINC000247904860 329886105 /nfs/dbraw/zinc/88/61/05/329886105.db2.gz JMMPDCYLFVTZPZ-LBPRGKRZSA-N 0 0 280.327 3.627 10 0 CHAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(F)cn1 ZINC000248373908 329890141 /nfs/dbraw/zinc/89/01/41/329890141.db2.gz MKFYOABLSHVRQY-IOASZLSFSA-N 0 0 298.361 3.627 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2ncnc3sccc32)C1 ZINC000078586792 329967165 /nfs/dbraw/zinc/96/71/65/329967165.db2.gz HHJZTVXZMQOAEG-NXEZZACHSA-N 0 0 279.434 3.777 10 0 CHAERN Cc1ccccc1[C@@H](NC(=O)C[C@@H](O)C(C)C)C(C)(C)C ZINC000162093722 329971959 /nfs/dbraw/zinc/97/19/59/329971959.db2.gz SGCVKEUKZBECQW-NVXWUHKLSA-N 0 0 291.435 3.605 10 0 CHAERN C[C@@H](c1ccccc1F)N1CCCc2c(N)cccc21 ZINC000261888451 329988091 /nfs/dbraw/zinc/98/80/91/329988091.db2.gz SNCUXNXZPAFILU-LBPRGKRZSA-N 0 0 270.351 3.922 10 0 CHAERN C[C@H](CO)SCc1ncc(-c2ccccc2Cl)o1 ZINC000079100820 330000451 /nfs/dbraw/zinc/00/04/51/330000451.db2.gz OQZPTCWNCFZBOX-SECBINFHSA-N 0 0 283.780 3.609 10 0 CHAERN CSc1ccc([C@@H](C)[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000263437121 330055802 /nfs/dbraw/zinc/05/58/02/330055802.db2.gz UZHUVXOGHYHQPO-MFKMUULPSA-N 0 0 297.395 3.548 10 0 CHAERN Cc1ncsc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162776587 330114714 /nfs/dbraw/zinc/11/47/14/330114714.db2.gz CQMONNFHVPVXJY-IINYFYTJSA-N 0 0 286.400 3.820 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)CC2CCC2)c2ccccc21 ZINC000162799326 330118815 /nfs/dbraw/zinc/11/88/15/330118815.db2.gz RVXLNYJCBXNDSD-WBMJQRKESA-N 0 0 257.377 3.931 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000080728514 330148167 /nfs/dbraw/zinc/14/81/67/330148167.db2.gz WIVXJFSBYWKPBA-DCGLDWPTSA-N 0 0 295.386 3.517 10 0 CHAERN O=C1CCc2c1cccc2-c1ccc2c(c1)CCOC2 ZINC000527590180 330264840 /nfs/dbraw/zinc/26/48/40/330264840.db2.gz QCTLUJWSMKIVIR-UHFFFAOYSA-N 0 0 264.324 3.555 10 0 CHAERN Cc1ccc(C)c(CN2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000106369988 330337248 /nfs/dbraw/zinc/33/72/48/330337248.db2.gz CZQQJVMDDBRKSI-UHFFFAOYSA-N 0 0 297.446 3.719 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000107246207 330347819 /nfs/dbraw/zinc/34/78/19/330347819.db2.gz MCHVIYIPCPHQHD-OSWAYODCSA-N 0 0 284.186 3.622 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C=C3CCC3)C2)cc1 ZINC000087316622 330372651 /nfs/dbraw/zinc/37/26/51/330372651.db2.gz JYPVHRPAJFYXLT-CJNGLKHVSA-N 0 0 285.387 3.510 10 0 CHAERN Cc1ccc([C@@H](C)Nc2nc(C(C)C)ns2)o1 ZINC000087640945 330373842 /nfs/dbraw/zinc/37/38/42/330373842.db2.gz YQDSVQQRDLQXEJ-SECBINFHSA-N 0 0 251.355 3.736 10 0 CHAERN CCc1nsc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000088521341 330377317 /nfs/dbraw/zinc/37/73/17/330377317.db2.gz GGYHYHWKPDWDGD-VIFPVBQESA-N 0 0 265.357 3.721 10 0 CHAERN CCC(CC)CC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000119644457 330378024 /nfs/dbraw/zinc/37/80/24/330378024.db2.gz YTBZFQJRGGWAJF-LBPRGKRZSA-N 0 0 293.407 3.707 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119863513 330381005 /nfs/dbraw/zinc/38/10/05/330381005.db2.gz BWCBHAHOIWZJQG-RYUDHWBXSA-N 0 0 292.345 3.549 10 0 CHAERN CN(CCC1CC1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119863695 330381129 /nfs/dbraw/zinc/38/11/29/330381129.db2.gz BWCBHAHOIWZJQG-VXGBXAGGSA-N 0 0 292.345 3.549 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@@H]1CO2 ZINC000536956483 330383312 /nfs/dbraw/zinc/38/33/12/330383312.db2.gz WQFGKTODILHJLP-CFAJVAMVSA-N 0 0 295.423 3.639 10 0 CHAERN CC(=O)c1nnc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000536960179 330384067 /nfs/dbraw/zinc/38/40/67/330384067.db2.gz PJSRZBALMSRXGV-UHFFFAOYSA-N 0 0 284.212 3.504 10 0 CHAERN CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000120205955 330386274 /nfs/dbraw/zinc/38/62/74/330386274.db2.gz GEJBFYBJHBJFTF-UONOGXRCSA-N 0 0 278.396 3.871 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000120740334 330390826 /nfs/dbraw/zinc/39/08/26/330390826.db2.gz GIEQOBLOACAZCQ-VIFPVBQESA-N 0 0 296.317 3.544 10 0 CHAERN O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000121875966 330407138 /nfs/dbraw/zinc/40/71/38/330407138.db2.gz VQEUPLPLWLFTOT-IAGOWNOFSA-N 0 0 285.387 3.872 10 0 CHAERN COc1ccc([C@@H](C)Nc2cccc(Cl)n2)cc1OC ZINC000149795390 330577986 /nfs/dbraw/zinc/57/79/86/330577986.db2.gz VHDMAMGMLVIPTA-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN O=C(c1cc(Cl)c2ccccc2n1)N1C[C@@H]2CCC[C@H]21 ZINC000449903500 330954159 /nfs/dbraw/zinc/95/41/59/330954159.db2.gz BKGDNIOLOVWURA-ZUZCIYMTSA-N 0 0 286.762 3.513 10 0 CHAERN C[C@@H](NCC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000164093326 331162205 /nfs/dbraw/zinc/16/22/05/331162205.db2.gz JCRPARHORLVZMX-CYBMUJFWSA-N 0 0 285.387 3.832 10 0 CHAERN COCCOc1cc(C)ccc1N[C@@H](C)c1cncs1 ZINC000164932016 331305390 /nfs/dbraw/zinc/30/53/90/331305390.db2.gz ODXSJLVGSITMPX-LBPRGKRZSA-N 0 0 292.404 3.650 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc(C(F)(F)F)nn2)o1 ZINC000167069326 331307815 /nfs/dbraw/zinc/30/78/15/331307815.db2.gz BVIOSJLXWYYWDY-QMMMGPOBSA-N 0 0 271.242 3.570 10 0 CHAERN C[C@@H](NC(=O)CC1(C)CC1)c1cccc(Br)c1 ZINC000401563502 331709024 /nfs/dbraw/zinc/70/90/24/331709024.db2.gz OQANBXQOPHPYFT-SNVBAGLBSA-N 0 0 296.208 3.817 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1C ZINC000172816005 332948174 /nfs/dbraw/zinc/94/81/74/332948174.db2.gz GCZPUZDTJVAWFN-HUUCEWRRSA-N 0 0 289.423 3.675 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000172138941 335095842 /nfs/dbraw/zinc/09/58/42/335095842.db2.gz TUQIJPLEXNADFF-LBPRGKRZSA-N 0 0 282.815 3.568 10 0 CHAERN CCCc1cc(C(=O)N[C@@H](C)C(C)C)sc1C ZINC000252014444 334373313 /nfs/dbraw/zinc/37/33/13/334373313.db2.gz UVVMWOJGQYKKBB-JTQLQIEISA-N 0 0 253.411 3.783 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@H](C)CCc1ccccc1F ZINC000173234798 332967305 /nfs/dbraw/zinc/96/73/05/332967305.db2.gz MDTOYNWKYZIXHD-CHWSQXEVSA-N 0 0 265.372 3.555 10 0 CHAERN CC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000173464123 332972297 /nfs/dbraw/zinc/97/22/97/332972297.db2.gz SSTDHYXOJQCMCB-CJNGLKHVSA-N 0 0 278.396 3.871 10 0 CHAERN C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1cccc(Cl)c1 ZINC000174546090 333001870 /nfs/dbraw/zinc/00/18/70/333001870.db2.gz LQQQDRUVKFTKDJ-LEWSCRJBSA-N 0 0 292.810 3.698 10 0 CHAERN CC(C)N(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000175686065 333029200 /nfs/dbraw/zinc/02/92/00/333029200.db2.gz WYTSTDPPWFTMMI-WDEREUQCSA-N 0 0 292.345 3.690 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000175860127 333035610 /nfs/dbraw/zinc/03/56/10/333035610.db2.gz RCLJQZSPXSVWTK-VHSXEESVSA-N 0 0 284.762 3.734 10 0 CHAERN CC(C)(C)[C@@H](O)CSc1ccc2ccccc2n1 ZINC000310990426 333063360 /nfs/dbraw/zinc/06/33/60/333063360.db2.gz ZQPAVPFAMPNJLJ-ZDUSSCGKSA-N 0 0 261.390 3.734 10 0 CHAERN CC(C)(C)CNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000177927071 333065832 /nfs/dbraw/zinc/06/58/32/333065832.db2.gz HDDZYQLEGXEMBV-CYBMUJFWSA-N 0 0 290.407 3.634 10 0 CHAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000088234603 333087240 /nfs/dbraw/zinc/08/72/40/333087240.db2.gz BRIRQMCLGCBPEA-LBPRGKRZSA-N 0 0 287.334 3.634 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCCc2cccc(O)c2)CC(C)(C)C1 ZINC000183511190 333121038 /nfs/dbraw/zinc/12/10/38/333121038.db2.gz PLSRBLVFVCYCOE-HIFRSBDPSA-N 0 0 289.419 3.513 10 0 CHAERN CC(C)C[C@H](CCO)CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184105840 333124992 /nfs/dbraw/zinc/12/49/92/333124992.db2.gz ADACRZOVJRFCDV-JYJNAYRXSA-N 0 0 297.483 3.610 10 0 CHAERN CCc1nc([C@H](C)N[C@H](C)c2cncc(C)c2)cs1 ZINC000184353649 333127266 /nfs/dbraw/zinc/12/72/66/333127266.db2.gz UPPHAMAZBJMCII-NEPJUHHUSA-N 0 0 275.421 3.821 10 0 CHAERN CCc1nc([C@@H](C)N[C@@H](C)c2cncc(C)c2)cs1 ZINC000184353595 333127299 /nfs/dbraw/zinc/12/72/99/333127299.db2.gz UPPHAMAZBJMCII-NWDGAFQWSA-N 0 0 275.421 3.821 10 0 CHAERN CCCCOc1ccc(C(=O)N[C@H]2C[C@H]2C)c(Cl)c1 ZINC000184848356 333132614 /nfs/dbraw/zinc/13/26/14/333132614.db2.gz WEVQOKJYUOXCHN-YGRLFVJLSA-N 0 0 281.783 3.657 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000184866678 333132868 /nfs/dbraw/zinc/13/28/68/333132868.db2.gz JEJIEWBWRHMADN-USZNOCQGSA-N 0 0 277.330 3.516 10 0 CHAERN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410843 333170548 /nfs/dbraw/zinc/17/05/48/333170548.db2.gz LQXSHPOKIDVROE-ABAIWWIYSA-N 0 0 293.769 3.863 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccccc2OC(C)C)o1 ZINC000220916085 333170778 /nfs/dbraw/zinc/17/07/78/333170778.db2.gz LIYJWWANOMJVEM-CYBMUJFWSA-N 0 0 274.364 3.621 10 0 CHAERN CCCCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000189062870 333179452 /nfs/dbraw/zinc/17/94/52/333179452.db2.gz WNHCEDMXMNFFFD-GDBMZVCRSA-N 0 0 275.392 3.635 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N(CC1CCC1)c1ccccc1 ZINC000189126733 333181530 /nfs/dbraw/zinc/18/15/30/333181530.db2.gz OQFQNHPWTCUBDG-PBHICJAKSA-N 0 0 287.403 3.635 10 0 CHAERN CSC1(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000189612304 333196319 /nfs/dbraw/zinc/19/63/19/333196319.db2.gz ZBDBYNRAKOCFDZ-LBPRGKRZSA-N 0 0 277.433 3.883 10 0 CHAERN CCOC1CC(CCNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000190032221 333202163 /nfs/dbraw/zinc/20/21/63/333202163.db2.gz OQFXQWGNJKKDLA-JWMHWRSXSA-N 0 0 295.467 3.770 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000190266602 333204957 /nfs/dbraw/zinc/20/49/57/333204957.db2.gz FJCAPGTXXAKCSH-PSASIEDQSA-N 0 0 288.174 3.747 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000190623630 333209110 /nfs/dbraw/zinc/20/91/10/333209110.db2.gz KBIBNKQCCUQPOJ-VBQJREDUSA-N 0 0 289.419 3.802 10 0 CHAERN CN(C(=O)N1CCC[C@@H]1c1ccco1)c1ccc(F)cc1 ZINC000190666397 333209516 /nfs/dbraw/zinc/20/95/16/333209516.db2.gz VURBWLNHNKZJKF-CQSZACIVSA-N 0 0 288.322 3.812 10 0 CHAERN CCCN(C(=O)[C@@H]1CCCO[C@H]1C)c1ccc(Cl)cc1 ZINC000191572253 333221585 /nfs/dbraw/zinc/22/15/85/333221585.db2.gz MCUBSSBQSWPPEE-SWLSCSKDSA-N 0 0 295.810 3.898 10 0 CHAERN C[C@H](NC(=O)Nc1cnns1)c1ccc2ccccc2c1 ZINC000192319020 333234312 /nfs/dbraw/zinc/23/43/12/333234312.db2.gz AIRYMXNYSWKVKG-JTQLQIEISA-N 0 0 298.371 3.574 10 0 CHAERN C[C@@H](NCc1nc2ccccc2s1)c1cncc(F)c1 ZINC000225966086 333243870 /nfs/dbraw/zinc/24/38/70/333243870.db2.gz CYCHJIXURMOIRE-SNVBAGLBSA-N 0 0 287.363 3.681 10 0 CHAERN CCCCOCCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000195288961 333249572 /nfs/dbraw/zinc/24/95/72/333249572.db2.gz PRDRHYLXEPGSRZ-LBPRGKRZSA-N 0 0 298.814 3.517 10 0 CHAERN Cc1c(Cl)cccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000195393280 333252081 /nfs/dbraw/zinc/25/20/81/333252081.db2.gz ITRJRDYSZAXRPO-CQSZACIVSA-N 0 0 287.746 3.512 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1O ZINC000226713329 333267993 /nfs/dbraw/zinc/26/79/93/333267993.db2.gz QGIPHFBEBHIACU-NSHDSACASA-N 0 0 289.762 3.845 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)Cc2ccc(O)cc2)cc1 ZINC000194591037 333272972 /nfs/dbraw/zinc/27/29/72/333272972.db2.gz MPDNZOYLDBMMQU-AWEZNQCLSA-N 0 0 297.398 3.936 10 0 CHAERN CC1(C)[C@H](Nc2cccc(OC(F)F)c2)[C@H]2CCO[C@H]21 ZINC000227066589 333275357 /nfs/dbraw/zinc/27/53/57/333275357.db2.gz YLKJRBZAYASKEE-JHJVBQTASA-N 0 0 283.318 3.513 10 0 CHAERN COCCc1ccccc1N[C@H]1CCc2ccccc21 ZINC000228070422 333294046 /nfs/dbraw/zinc/29/40/46/333294046.db2.gz XIDNJPCFFCKFTO-SFHVURJKSA-N 0 0 267.372 3.975 10 0 CHAERN CCCC[C@@H](N[C@H](C)c1ccc(C)c(F)c1)C(=O)OC ZINC000230500065 333318737 /nfs/dbraw/zinc/31/87/37/333318737.db2.gz MZMKFWKUSBFHAZ-IUODEOHRSA-N 0 0 281.371 3.517 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000230923301 333322754 /nfs/dbraw/zinc/32/27/54/333322754.db2.gz KEIRVMAJPUDCBE-OLZOCXBDSA-N 0 0 279.453 3.995 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000231691152 333328218 /nfs/dbraw/zinc/32/82/18/333328218.db2.gz IAQNMPVLMMJGPQ-MLGOLLRUSA-N 0 0 270.376 3.703 10 0 CHAERN CCC1CCC(NC(=O)c2cc(O)ccc2Cl)CC1 ZINC000232898276 333345142 /nfs/dbraw/zinc/34/51/42/333345142.db2.gz WTTZPDKWQMAGPB-UHFFFAOYSA-N 0 0 281.783 3.744 10 0 CHAERN Cc1cnc([C@H](C)Nc2ccc(C(F)(F)F)cn2)o1 ZINC000235521672 333370322 /nfs/dbraw/zinc/37/03/22/333370322.db2.gz WPTZLJWTEDFKLI-QMMMGPOBSA-N 0 0 271.242 3.570 10 0 CHAERN Fc1cccc(C2CC(NCC(F)(F)C(F)F)C2)c1 ZINC000236211470 333373204 /nfs/dbraw/zinc/37/32/04/333373204.db2.gz HKTYWVZTVFGPJF-UHFFFAOYSA-N 0 0 279.252 3.562 10 0 CHAERN CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000072008612 333895179 /nfs/dbraw/zinc/89/51/79/333895179.db2.gz WWCMYLQODBTUHS-STQMWFEESA-N 0 0 277.408 3.586 10 0 CHAERN C[C@@H](N[C@@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000131223999 333910680 /nfs/dbraw/zinc/91/06/80/333910680.db2.gz QSZBMYOXDUIQLK-HTQZYQBOSA-N 0 0 278.154 3.572 10 0 CHAERN C[C@H](C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000131751621 333965641 /nfs/dbraw/zinc/96/56/41/333965641.db2.gz QWNFCPYTVPBXIJ-XJNFMUPTSA-N 0 0 271.404 3.827 10 0 CHAERN CC[C@H](C)NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000077826069 334115555 /nfs/dbraw/zinc/11/55/55/334115555.db2.gz UQVMRFLSEGSBBW-VHSXEESVSA-N 0 0 299.212 3.608 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000135416870 334129139 /nfs/dbraw/zinc/12/91/39/334129139.db2.gz FFZNWRUZTSGMRF-CMPLNLGQSA-N 0 0 264.394 3.717 10 0 CHAERN CC1CCC(CNc2cccc(CCCO)c2)CC1 ZINC000136226166 334150058 /nfs/dbraw/zinc/15/00/58/334150058.db2.gz OOJSUGYGYFSMGN-UHFFFAOYSA-N 0 0 261.409 3.850 10 0 CHAERN CCc1ncsc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136702536 334162119 /nfs/dbraw/zinc/16/21/19/334162119.db2.gz ADNRHKSXSVEMKL-VIFPVBQESA-N 0 0 294.807 3.850 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CCCC(C)(C)C2)c1 ZINC000079975824 334164637 /nfs/dbraw/zinc/16/46/37/334164637.db2.gz XHGUIUIKYPDVMH-CQSZACIVSA-N 0 0 274.408 3.735 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000080427819 334171297 /nfs/dbraw/zinc/17/12/97/334171297.db2.gz RJWSTCFXOYTILH-WBMJQRKESA-N 0 0 272.392 3.569 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3)nc2)C1 ZINC000080433303 334171454 /nfs/dbraw/zinc/17/14/54/334171454.db2.gz XJMQNOHGKDIMTN-ZIAGYGMSSA-N 0 0 259.397 3.672 10 0 CHAERN CCCNC(=O)c1cccc(N[C@H]2CC[C@@H](CC)C2)c1 ZINC000080430817 334171474 /nfs/dbraw/zinc/17/14/74/334171474.db2.gz YEJBWOHQJKSJSL-CJNGLKHVSA-N 0 0 274.408 3.817 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cccc(OCCOC)c2)C1 ZINC000080458076 334171828 /nfs/dbraw/zinc/17/18/28/334171828.db2.gz ILDTVBQQJGSPTD-DZGCQCFKSA-N 0 0 263.381 3.702 10 0 CHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245452989 334194287 /nfs/dbraw/zinc/19/42/87/334194287.db2.gz FDJCCVIHNBSZBH-OBPIAQAESA-N 0 0 289.341 3.660 10 0 CHAERN C[C@H]1COCC[C@@H]1Nc1cc(Cl)cc2cccnc21 ZINC000311527253 334224443 /nfs/dbraw/zinc/22/44/43/334224443.db2.gz XGCJYQBUSBSUHW-GWCFXTLKSA-N 0 0 276.767 3.725 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000245982561 334226447 /nfs/dbraw/zinc/22/64/47/334226447.db2.gz HDGSSNIHZYBRDD-IOASZLSFSA-N 0 0 275.392 3.555 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246108987 334233420 /nfs/dbraw/zinc/23/34/20/334233420.db2.gz RRHHGQOCLINNSI-IJLUTSLNSA-N 0 0 292.345 3.549 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000246368409 334254091 /nfs/dbraw/zinc/25/40/91/334254091.db2.gz NRKVUMPCFHFKGO-QBPKDAKJSA-N 0 0 275.436 3.851 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C2CC2)o1 ZINC000246498592 334260381 /nfs/dbraw/zinc/26/03/81/334260381.db2.gz MYSJOOADNZTFCR-JYJNAYRXSA-N 0 0 287.403 3.942 10 0 CHAERN CCC[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000246648396 334266228 /nfs/dbraw/zinc/26/62/28/334266228.db2.gz PGRCECOVQOBMRC-IIMNLJJBSA-N 0 0 282.334 3.514 10 0 CHAERN C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000246653418 334266510 /nfs/dbraw/zinc/26/65/10/334266510.db2.gz KHJCNIFGYMIIQF-HSMVNMDESA-N 0 0 272.392 3.723 10 0 CHAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000248471820 334303518 /nfs/dbraw/zinc/30/35/18/334303518.db2.gz JFTHCHNHQOLICJ-UEKVPHQBSA-N 0 0 296.361 3.856 10 0 CHAERN CCOC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248599718 334307810 /nfs/dbraw/zinc/30/78/10/334307810.db2.gz UGVMQHFRNUZGFM-OAGGEKHMSA-N 0 0 295.467 3.724 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1C=CCC1)[C@H](C)C2 ZINC000248611464 334308825 /nfs/dbraw/zinc/30/88/25/334308825.db2.gz WHFVNCBBPHOPEJ-HBUWYVDXSA-N 0 0 269.388 3.701 10 0 CHAERN CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000249282689 334331168 /nfs/dbraw/zinc/33/11/68/334331168.db2.gz OBGBKRLSOUYJJL-IIAWOOMASA-N 0 0 287.403 3.843 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NCC2(C3CC3)CCC2)o1 ZINC000152972669 334533446 /nfs/dbraw/zinc/53/34/46/334533446.db2.gz NSXPEPFDOQONSD-LBPRGKRZSA-N 0 0 276.380 3.529 10 0 CHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)C(C)C ZINC000154445635 334694558 /nfs/dbraw/zinc/69/45/58/334694558.db2.gz XXSLJXHYUQLDJG-VIFPVBQESA-N 0 0 278.783 3.904 10 0 CHAERN CCCN(C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000155427795 334721245 /nfs/dbraw/zinc/72/12/45/334721245.db2.gz WPDCLYSFSNWXRH-CQSZACIVSA-N 0 0 292.423 3.834 10 0 CHAERN O=C(Nc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1)C1CC1 ZINC000312676439 334752035 /nfs/dbraw/zinc/75/20/35/334752035.db2.gz YNEOLXSQUMJDFS-APHBMKBZSA-N 0 0 270.376 3.636 10 0 CHAERN O=C(C[C@H]1C=CCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000157645999 334779106 /nfs/dbraw/zinc/77/91/06/334779106.db2.gz GRPARVAKWHNSRD-LRDDRELGSA-N 0 0 273.351 3.676 10 0 CHAERN CCC(CC)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157895991 334787099 /nfs/dbraw/zinc/78/70/99/334787099.db2.gz RHWSGPDUAXAZQB-OAHLLOKOSA-N 0 0 263.356 3.756 10 0 CHAERN O=C(N[C@@H]1CC12CCCCC2)N1CCC[C@@H]1c1ccco1 ZINC000180592897 335611305 /nfs/dbraw/zinc/61/13/05/335611305.db2.gz AJDZOGGRQSSLFT-UKRRQHHQSA-N 0 0 288.391 3.849 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2Nc2ccccc2)O1 ZINC000180797318 335624705 /nfs/dbraw/zinc/62/47/05/335624705.db2.gz IWKHARPUEOADHJ-DYVFJYSZSA-N 0 0 296.370 3.936 10 0 CHAERN CC(C)c1nnc(CSc2ccc(Cl)cc2)n1C ZINC000194654857 336035902 /nfs/dbraw/zinc/03/59/02/336035902.db2.gz YLEKMNDXHPELTQ-UHFFFAOYSA-N 0 0 281.812 3.884 10 0 CHAERN CC(C)c1nnc(CSC2CCCCC2)n1C ZINC000194658454 336036326 /nfs/dbraw/zinc/03/63/26/336036326.db2.gz GTGHZVQFXWGLLN-UHFFFAOYSA-N 0 0 253.415 3.504 10 0 CHAERN FCC[C@@H]1CCC[C@H]1Nc1cncc(Br)c1 ZINC000381841671 336074074 /nfs/dbraw/zinc/07/40/74/336074074.db2.gz QKALACZHXXCKHY-JOYOIKCWSA-N 0 0 287.176 3.784 10 0 CHAERN COc1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000003075642 336142811 /nfs/dbraw/zinc/14/28/11/336142811.db2.gz YXZNZPZRBWWKDC-UHFFFAOYSA-N 0 0 297.383 3.773 10 0 CHAERN CC(C)c1ccn(-c2ccc(N)c(C(F)(F)F)c2)n1 ZINC000052884080 519848044 /nfs/dbraw/zinc/84/80/44/519848044.db2.gz UOHQJOHZHHQOPB-UHFFFAOYSA-N 0 0 269.270 3.597 10 0 CHAERN CCNc1snnc1CSc1cccc(Cl)c1 ZINC000054186546 520388620 /nfs/dbraw/zinc/38/86/20/520388620.db2.gz XYFPRMMAUPXRPO-UHFFFAOYSA-N 0 0 285.825 3.916 10 0 CHAERN CCNc1snnc1COc1ccccc1C(C)C ZINC000050831261 520388629 /nfs/dbraw/zinc/38/86/29/520388629.db2.gz VOZPGFJAURSNJV-UHFFFAOYSA-N 0 0 277.393 3.672 10 0 CHAERN CCCCN(CC)c1nc2c(s1)[C@@H](O)CC(C)(C)C2 ZINC000054910603 520484764 /nfs/dbraw/zinc/48/47/64/520484764.db2.gz WXTFZLGGNLRTGG-LBPRGKRZSA-N 0 0 282.453 3.775 10 0 CHAERN CCCC[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000050889703 521005875 /nfs/dbraw/zinc/00/58/75/521005875.db2.gz ZVDJSKKATXGDFO-MRVPVSSYSA-N 0 0 290.226 3.819 10 0 CHAERN CSCc1cc(Nc2ncccn2)ccc1Cl ZINC000301284416 533837665 /nfs/dbraw/zinc/83/76/65/533837665.db2.gz LXNMGWRAWHRGQO-UHFFFAOYSA-N 0 0 265.769 3.737 10 0 CHAERN C[C@@H]1C[C@H]1[C@H](Nc1ccc2nccnc2n1)c1ccccc1 ZINC000301309464 534046945 /nfs/dbraw/zinc/04/69/45/534046945.db2.gz XPAVNJPQFCRMMD-SUYBPPKGSA-N 0 0 290.370 3.834 10 0 CHAERN C[C@H]1C(=O)CC[C@H]1Cc1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000329372507 534157943 /nfs/dbraw/zinc/15/79/43/534157943.db2.gz BDBQOWWJFVYBGE-BJJPWKGXSA-N 0 0 290.407 3.767 10 0 CHAERN C[C@@H]1CC[C@H](C)N1c1ccnc2c(F)cc(F)cc12 ZINC000302498930 534228911 /nfs/dbraw/zinc/22/89/11/534228911.db2.gz LBJDXQPDICKMAI-AOOOYVTPSA-N 0 0 262.303 3.890 10 0 CHAERN C[C@@H]1[C@@H](C)CCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC000301490067 534233226 /nfs/dbraw/zinc/23/32/26/534233226.db2.gz LXRBIKURIOSZDT-NWDGAFQWSA-N 0 0 271.339 3.517 10 0 CHAERN CC(=O)c1ccc(N(C)[C@H](C)C2CC2)c(Br)c1 ZINC000061693713 518343893 /nfs/dbraw/zinc/34/38/93/518343893.db2.gz RDKARTRXLMJHGZ-SECBINFHSA-N 0 0 296.208 3.886 10 0 CHAERN C(SC1=NCCS1)[C@H]1CCC2(CCCCC2)O1 ZINC000191804167 518401971 /nfs/dbraw/zinc/40/19/71/518401971.db2.gz ZYOHIHLSXSAFHA-LLVKDONJSA-N 0 0 271.451 3.704 10 0 CHAERN CC(C)(C)OC(=O)c1cc(Br)cc2cc[nH]c21 ZINC000299889999 518858103 /nfs/dbraw/zinc/85/81/03/518858103.db2.gz SDMOTXWDDFBAMM-UHFFFAOYSA-N 0 0 296.164 3.886 10 0 CHAERN CC(C)(C)c1cccc(OCCCCC(N)=S)c1 ZINC000049583155 519053284 /nfs/dbraw/zinc/05/32/84/519053284.db2.gz LEPQPYIUSFRPHO-UHFFFAOYSA-N 0 0 265.422 3.819 10 0 CHAERN CC(C)COc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000138969936 519763748 /nfs/dbraw/zinc/76/37/48/519763748.db2.gz AAIOJBBRJLBBHR-KBPBESRZSA-N 0 0 287.407 3.856 10 0 CHAERN CC(C)[C@@H](C)CC(=O)NC1CCN(c2cccs2)CC1 ZINC000156173498 519790178 /nfs/dbraw/zinc/79/01/78/519790178.db2.gz GZBOWLXRESOCQD-ZDUSSCGKSA-N 0 0 294.464 3.515 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccncc2)cc1 ZINC000126833646 519839579 /nfs/dbraw/zinc/83/95/79/519839579.db2.gz JGBGOCDHYHVHRO-ZWKOTPCHSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1ccc([C@H](C)NCc2csnn2)cc1 ZINC000037044708 519840028 /nfs/dbraw/zinc/84/00/28/519840028.db2.gz JDWWJRWLIKBMQO-NSHDSACASA-N 0 0 261.394 3.512 10 0 CHAERN CC(C)c1ccn(-c2cc(Br)ccc2C=O)n1 ZINC000052884557 519848219 /nfs/dbraw/zinc/84/82/19/519848219.db2.gz OFHJVHZXHWVMGK-UHFFFAOYSA-N 0 0 293.164 3.571 10 0 CHAERN CC(C)c1csc([C@@H]2CCCN(Cc3ccon3)C2)n1 ZINC000127741034 519857165 /nfs/dbraw/zinc/85/71/65/519857165.db2.gz MCMPSJYIPFWNMG-GFCCVEGCSA-N 0 0 291.420 3.634 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)Cc1ccsc1 ZINC000049184551 519857916 /nfs/dbraw/zinc/85/79/16/519857916.db2.gz JDLOMZSRSXOPLI-SECBINFHSA-N 0 0 267.423 3.929 10 0 CHAERN CCCC1CCN(c2nc(C)c(C(C)=O)s2)CC1 ZINC000054862548 519904407 /nfs/dbraw/zinc/90/44/07/519904407.db2.gz NSAUPMGPYQVEEG-UHFFFAOYSA-N 0 0 266.410 3.671 10 0 CHAERN CCN(C(=O)[C@H](C)COC)[C@H](C)c1cc2ccccc2o1 ZINC000103385361 520037228 /nfs/dbraw/zinc/03/72/28/520037228.db2.gz KMDFACXFFFUTGZ-CHWSQXEVSA-N 0 0 289.375 3.625 10 0 CHAERN CCCNc1nc(Cc2cccs2)nc(C)c1CC ZINC000052901127 520187806 /nfs/dbraw/zinc/18/78/06/520187806.db2.gz SLHJVSIHXSRWNH-UHFFFAOYSA-N 0 0 275.421 3.822 10 0 CHAERN CCCNc1nc(CSC)nc(C)c1C(C)C ZINC000061687483 520188016 /nfs/dbraw/zinc/18/80/16/520188016.db2.gz LKTAHBAZHNHBLG-UHFFFAOYSA-N 0 0 253.415 3.593 10 0 CHAERN CCNc1c(C)c(C)nc2c(OC(F)F)cccc21 ZINC000050870833 520255338 /nfs/dbraw/zinc/25/53/38/520255338.db2.gz DOSJBRYJNNPGNZ-UHFFFAOYSA-N 0 0 266.291 3.885 10 0 CHAERN CCCOc1cc(C)ccc1N[C@@H](C)c1cn(C)nc1C ZINC000087409057 520306207 /nfs/dbraw/zinc/30/62/07/520306207.db2.gz QMZCEEQWYUQMKZ-ZDUSSCGKSA-N 0 0 287.407 3.999 10 0 CHAERN CCNc1ccccc1C(=O)N(C)[C@H](C)CC(C)C ZINC000050789347 520337104 /nfs/dbraw/zinc/33/71/04/520337104.db2.gz KYXVQNWLOJHRID-CYBMUJFWSA-N 0 0 262.397 3.625 10 0 CHAERN CCNc1nc2cc(OC)ccc2cc1CSCC ZINC000050833714 520360324 /nfs/dbraw/zinc/36/03/24/520360324.db2.gz HOLNEGUMRJVQTJ-UHFFFAOYSA-N 0 0 276.405 3.928 10 0 CHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CC1CCC1 ZINC000079957574 520511306 /nfs/dbraw/zinc/51/13/06/520511306.db2.gz VZDKXZHNQCPQLO-INIZCTEOSA-N 0 0 287.403 3.555 10 0 CHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CC1CCC1 ZINC000079957575 520512245 /nfs/dbraw/zinc/51/22/45/520512245.db2.gz VZDKXZHNQCPQLO-MRXNPFEDSA-N 0 0 287.403 3.555 10 0 CHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccs2)C12CCCC2 ZINC000150803676 520539497 /nfs/dbraw/zinc/53/94/97/520539497.db2.gz DELVZOADFIGNBZ-KGLIPLIRSA-N 0 0 293.432 3.558 10 0 CHAERN CCCCOCc1cc(Br)ccc1OC ZINC000049601167 520810071 /nfs/dbraw/zinc/81/00/71/520810071.db2.gz AUFCBSHGQWUJAP-UHFFFAOYSA-N 0 0 273.170 3.774 10 0 CHAERN CCN(CC)c1ncc(CN[C@H](C)c2ccc(C)o2)s1 ZINC000037280521 520932503 /nfs/dbraw/zinc/93/25/03/520932503.db2.gz GYLZKGXNGWFVRJ-GFCCVEGCSA-N 0 0 293.436 3.742 10 0 CHAERN CCCC[C@H](C)Nc1ccc(Cl)cc1C(N)=S ZINC000052859132 521152043 /nfs/dbraw/zinc/15/20/43/521152043.db2.gz TYIAFAIXTJGIBU-VIFPVBQESA-N 0 0 270.829 3.965 10 0 CHAERN CCCC[C@H](CC)C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925793 521170393 /nfs/dbraw/zinc/17/03/93/521170393.db2.gz RJDBXIMCGGJRJC-LSDHHAIUSA-N 0 0 269.429 3.922 10 0 CHAERN CCC(=O)c1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000054716262 521260793 /nfs/dbraw/zinc/26/07/93/521260793.db2.gz LJHOPGVQLROFBS-UHFFFAOYSA-N 0 0 283.158 3.831 10 0 CHAERN CCOC(=O)[C@H](c1cc(Cl)ccc1OC)C(C)C ZINC000052233241 521274943 /nfs/dbraw/zinc/27/49/43/521274943.db2.gz DYTKMYITYPCBFH-ZDUSSCGKSA-N 0 0 270.756 3.651 10 0 CHAERN CCCc1ccc(-c2csc(-c3nc[nH]n3)n2)cc1 ZINC000061844318 521388128 /nfs/dbraw/zinc/38/81/28/521388128.db2.gz KIHSWBAFLLSMIT-UHFFFAOYSA-N 0 0 270.361 3.548 10 0 CHAERN CCCc1ccc([C@H](O)COc2ccccc2)cc1 ZINC000055352121 521419241 /nfs/dbraw/zinc/41/92/41/521419241.db2.gz LMYFPUAVYXOTLJ-QGZVFWFLSA-N 0 0 256.345 3.752 10 0 CHAERN CCOc1ccccc1[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000062791781 521578970 /nfs/dbraw/zinc/57/89/70/521578970.db2.gz XKKROJBMXPACPN-HNNXBMFYSA-N 0 0 280.726 3.960 10 0 CHAERN CCOc1ccccc1[C@@H](O)c1ccc(F)c(C)c1 ZINC000055240247 521579320 /nfs/dbraw/zinc/57/93/20/521579320.db2.gz ZVUATUDYEHVNJT-INIZCTEOSA-N 0 0 260.308 3.615 10 0 CHAERN CCCN(CC1CC1)c1nc(Cl)nc2ccccc21 ZINC000052811634 521626735 /nfs/dbraw/zinc/62/67/35/521626735.db2.gz VZDMVJDMERHXRJ-UHFFFAOYSA-N 0 0 275.783 3.910 10 0 CHAERN CC[C@H](C)Oc1ccc(C(F)(F)F)cc1C(N)=S ZINC000048264664 521769049 /nfs/dbraw/zinc/76/90/49/521769049.db2.gz GUIUAZRFSWPRCI-ZETCQYMHSA-N 0 0 277.311 3.517 10 0 CHAERN Cc1cnc(N[C@H](C)c2cc(C)c(F)c(C)c2)nc1 ZINC000301819910 534591892 /nfs/dbraw/zinc/59/18/92/534591892.db2.gz ASDHTHBFJZKACJ-GFCCVEGCSA-N 0 0 259.328 3.714 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2sccc2C)c1 ZINC000070091116 521803531 /nfs/dbraw/zinc/80/35/31/521803531.db2.gz HJKYOMPOFUOPTJ-LBPRGKRZSA-N 0 0 288.416 3.898 10 0 CHAERN CCc1n[nH]c(=S)n1[C@H](C)c1ccccc1Cl ZINC000049510043 522133362 /nfs/dbraw/zinc/13/33/62/522133362.db2.gz IYUJRSOBVVULQV-MRVPVSSYSA-N 0 0 267.785 3.766 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000110924441 522178987 /nfs/dbraw/zinc/17/89/87/522178987.db2.gz DPXTVYNSIQLBQM-CYBMUJFWSA-N 0 0 299.370 3.583 10 0 CHAERN CC[C@H](Cc1ccc(OC)c(Br)c1)C(C)=O ZINC000049596748 522302282 /nfs/dbraw/zinc/30/22/82/522302282.db2.gz LDSLQJZXOKHFHR-LLVKDONJSA-N 0 0 285.181 3.615 10 0 CHAERN Clc1cc(N2CCC[C@H](c3nccs3)C2)ccn1 ZINC000302034651 534631624 /nfs/dbraw/zinc/63/16/24/534631624.db2.gz JNTQMUZISSQXHN-JTQLQIEISA-N 0 0 279.796 3.576 10 0 CHAERN COC(=O)c1occc1CN[C@@H](C)c1ccc(C)cc1C ZINC000037772153 522414448 /nfs/dbraw/zinc/41/44/48/522414448.db2.gz PEXHRIOQTWJMBU-ZDUSSCGKSA-N 0 0 287.359 3.534 10 0 CHAERN COC(C)(C)C[C@@H](C)Nc1ccc2ncccc2c1 ZINC000054107965 522508648 /nfs/dbraw/zinc/50/86/48/522508648.db2.gz FAGVIVPAXRVSRN-GFCCVEGCSA-N 0 0 258.365 3.850 10 0 CHAERN CNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000050775241 522580516 /nfs/dbraw/zinc/58/05/16/522580516.db2.gz QKERUOOPNINACI-UHFFFAOYSA-N 0 0 294.807 3.715 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N[C@H](C)CC(C)C ZINC000050749947 522629294 /nfs/dbraw/zinc/62/92/94/522629294.db2.gz DQMXLEIPLWJRED-SNVBAGLBSA-N 0 0 268.788 3.546 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N2CC(C)(C)CC(C)(C)C2)o1 ZINC000336450105 534650167 /nfs/dbraw/zinc/65/01/67/534650167.db2.gz PCRDZHRZJZZQSY-LBPRGKRZSA-N 0 0 293.411 3.512 10 0 CHAERN CC[C@@H](NC(=O)c1cc(N)c(C)s1)c1cccs1 ZINC000049528218 522775601 /nfs/dbraw/zinc/77/56/01/522775601.db2.gz DUVQEHSERTZXFW-SNVBAGLBSA-N 0 0 280.418 3.581 10 0 CHAERN CC[C@H](SC)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000132557531 522905099 /nfs/dbraw/zinc/90/50/99/522905099.db2.gz LNBGPEGSANTIKG-JSGCOSHPSA-N 0 0 281.421 3.783 10 0 CHAERN CCc1noc([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000114750163 522907942 /nfs/dbraw/zinc/90/79/42/522907942.db2.gz OBUSORNZSFAFBW-RKDXNWHRSA-N 0 0 297.761 3.836 10 0 CHAERN COCc1cc(Cl)nc(NCCC2=CCCCC2)n1 ZINC000057345805 522927472 /nfs/dbraw/zinc/92/74/72/522927472.db2.gz RZPLFFUOPPWKIO-UHFFFAOYSA-N 0 0 281.787 3.579 10 0 CHAERN CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000109086512 523241896 /nfs/dbraw/zinc/24/18/96/523241896.db2.gz LVSWZFLQENMWOC-BNOWGMLFSA-N 0 0 293.357 3.717 10 0 CHAERN CN(Cc1ccsc1)c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967294 523488446 /nfs/dbraw/zinc/48/84/46/523488446.db2.gz YAPCSJUDRSQBRB-UHFFFAOYSA-N 0 0 294.445 3.951 10 0 CHAERN CCc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000051722726 523944983 /nfs/dbraw/zinc/94/49/83/523944983.db2.gz WUAOPXRHKMHQER-JTQLQIEISA-N 0 0 265.303 3.971 10 0 CHAERN COCCNc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000057382388 523966105 /nfs/dbraw/zinc/96/61/05/523966105.db2.gz PYQSKNJTDIFSKI-UHFFFAOYSA-N 0 0 276.405 3.794 10 0 CHAERN CCc1ccc([C@@H](O)c2ccc(F)c(C)c2)s1 ZINC000063056488 524033400 /nfs/dbraw/zinc/03/34/00/524033400.db2.gz YARQBODKDUTAQK-AWEZNQCLSA-N 0 0 250.338 3.840 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCOC(C)C)o1 ZINC000128511866 524034663 /nfs/dbraw/zinc/03/46/63/524034663.db2.gz SIYGEHGJIPQALH-HNNXBMFYSA-N 0 0 293.407 3.711 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(C)on2)o1 ZINC000128303908 524053283 /nfs/dbraw/zinc/05/32/83/524053283.db2.gz FMEKXMGZSCSXPC-CQSZACIVSA-N 0 0 288.347 3.506 10 0 CHAERN COc1ccc(C[C@H](O)C2CCCC2)cc1Br ZINC000049598671 524155602 /nfs/dbraw/zinc/15/56/02/524155602.db2.gz RISHWCKCUKLJAN-ZDUSSCGKSA-N 0 0 299.208 3.551 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N(c2ccccc2)C2CCCC2)O1 ZINC000155692179 524330301 /nfs/dbraw/zinc/33/03/01/524330301.db2.gz HKANIECTKCFGTR-BBRMVZONSA-N 0 0 273.376 3.530 10 0 CHAERN COc1ccc(F)cc1[C@@H](O)Cc1cccc(Cl)c1 ZINC000052945452 524330954 /nfs/dbraw/zinc/33/09/54/524330954.db2.gz HAIZVVDZDDQWDF-AWEZNQCLSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1cc(C)cc(N(C)C[C@H]2CCCCCC2=O)c1 ZINC000053929698 524405179 /nfs/dbraw/zinc/40/51/79/524405179.db2.gz QWCPGWFAUSSTFK-OAHLLOKOSA-N 0 0 259.393 3.889 10 0 CHAERN C[C@@H]1CCC[C@H](Oc2ccc(C(N)=S)cc2Cl)C1 ZINC000062796438 524411889 /nfs/dbraw/zinc/41/18/89/524411889.db2.gz FTIXCVUJCKOAIY-KOLCDFICSA-N 0 0 283.824 3.932 10 0 CHAERN COc1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000127714249 524449351 /nfs/dbraw/zinc/44/93/51/524449351.db2.gz UYTGFHZUHUMYTC-CQSZACIVSA-N 0 0 288.416 3.879 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@@H](C)CC(C)C ZINC000037055366 524673271 /nfs/dbraw/zinc/67/32/71/524673271.db2.gz FQJDHIXXMZAZMM-NSHDSACASA-N 0 0 264.369 3.500 10 0 CHAERN Cc1ccc(Cl)cc1-c1ccc(C[C@@H](C)O)o1 ZINC000062771155 524717706 /nfs/dbraw/zinc/71/77/06/524717706.db2.gz JVDNGFYBNOTADN-SNVBAGLBSA-N 0 0 250.725 3.832 10 0 CHAERN Cc1cc(CN[C@@H](C)c2ccc(C(C)C)cc2)no1 ZINC000044296247 524765303 /nfs/dbraw/zinc/76/53/03/524765303.db2.gz SEGUEKUDKMAFIH-ZDUSSCGKSA-N 0 0 258.365 3.957 10 0 CHAERN Cc1cc(CO)ccc1N1c2ccccc2C[C@@H]1C ZINC000050560590 524793451 /nfs/dbraw/zinc/79/34/51/524793451.db2.gz ZUCKTLHBLJGDGE-ZDUSSCGKSA-N 0 0 253.345 3.570 10 0 CHAERN Cc1ccc(F)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1 ZINC000117567531 524823680 /nfs/dbraw/zinc/82/36/80/524823680.db2.gz HLNWCAMTZGNPNY-MEDUHNTESA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc(F)c([C@H](O)c2ccc(Cl)s2)c1 ZINC000052998957 524835947 /nfs/dbraw/zinc/83/59/47/524835947.db2.gz SSZRNXQDYJLPIF-LBPRGKRZSA-N 0 0 256.729 3.931 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000072094889 524846980 /nfs/dbraw/zinc/84/69/80/524846980.db2.gz IYSUSEOBKDROMA-CABZTGNLSA-N 0 0 285.309 3.508 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(SC(F)F)c1 ZINC000076037339 524850061 /nfs/dbraw/zinc/85/00/61/524850061.db2.gz ZTDOPNQITPIIIF-XVKPBYJWSA-N 0 0 272.320 3.531 10 0 CHAERN Cc1cc(Cl)ccc1N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600932 524889724 /nfs/dbraw/zinc/88/97/24/524889724.db2.gz OVLYNMYLKLXPTF-BETUJISGSA-N 0 0 263.768 3.739 10 0 CHAERN COc1ccc(OC)c([C@@H](O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000055234606 524889864 /nfs/dbraw/zinc/88/98/64/524889864.db2.gz WNYLYNWEKRPCCO-HSMVNMDESA-N 0 0 264.365 3.564 10 0 CHAERN Cc1ccc(N)c(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000052999678 524904474 /nfs/dbraw/zinc/90/44/74/524904474.db2.gz IHCJQIFBJOXBJS-UHFFFAOYSA-N 0 0 268.360 3.755 10 0 CHAERN Cc1cccc([S@](=O)Cc2ccc(Cl)cc2N)c1 ZINC000050445335 524911480 /nfs/dbraw/zinc/91/14/80/524911480.db2.gz CEOUNXOCXGTRSV-SFHVURJKSA-N 0 0 279.792 3.538 10 0 CHAERN COc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000050443532 524974238 /nfs/dbraw/zinc/97/42/38/524974238.db2.gz ABDTYXPKTTUXOT-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000189170402 525016893 /nfs/dbraw/zinc/01/68/93/525016893.db2.gz XMHGLFLGGSWENZ-CZUORRHYSA-N 0 0 296.370 3.502 10 0 CHAERN C[C@@H](NC(=O)C1CC=CC1)c1ccc2ccccc2c1 ZINC000077733863 525064637 /nfs/dbraw/zinc/06/46/37/525064637.db2.gz RCIUYKRCLBBWIN-CYBMUJFWSA-N 0 0 265.356 3.983 10 0 CHAERN C[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000084524622 525127703 /nfs/dbraw/zinc/12/77/03/525127703.db2.gz AALZHIPZGBNJNQ-DEYYWGMASA-N 0 0 297.398 3.627 10 0 CHAERN C[C@](O)(Cc1c(F)cccc1Cl)c1cccs1 ZINC000063077062 525186440 /nfs/dbraw/zinc/18/64/40/525186440.db2.gz LJWHNEGSEPXSGJ-ZDUSSCGKSA-N 0 0 270.756 3.991 10 0 CHAERN C[C@](O)(c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000055236725 525187196 /nfs/dbraw/zinc/18/71/96/525187196.db2.gz LXTZNOBVJAQSRR-AWEZNQCLSA-N 0 0 268.690 3.874 10 0 CHAERN Cc1ccccc1NCCN(CC(F)(F)F)C(C)C ZINC000053389908 525269685 /nfs/dbraw/zinc/26/96/85/525269685.db2.gz XUFQJLOIGVJEFR-UHFFFAOYSA-N 0 0 274.330 3.680 10 0 CHAERN Cc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000026460415 525295161 /nfs/dbraw/zinc/29/51/61/525295161.db2.gz BOXJHXMCIHNPLA-UHFFFAOYSA-N 0 0 289.400 3.721 10 0 CHAERN Cc1cc(Nc2cccc(Cl)c2F)nc(Cl)n1 ZINC000052814105 525306905 /nfs/dbraw/zinc/30/69/05/525306905.db2.gz HGEKUQKSNABQIE-UHFFFAOYSA-N 0 0 272.110 3.975 10 0 CHAERN Cc1ccc(OS(=O)(=O)c2cc(C)c(C)cc2C)cc1 ZINC000026459346 525454640 /nfs/dbraw/zinc/45/46/40/525454640.db2.gz ROZJNGIJTSQPIW-UHFFFAOYSA-N 0 0 290.384 3.688 10 0 CHAERN C[C@H](N[C@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743518 525626303 /nfs/dbraw/zinc/62/63/03/525626303.db2.gz ANHIZAPXDDOFRP-NHYWBVRUSA-N 0 0 288.778 3.909 10 0 CHAERN C[C@H](Nc1ccc(N)cn1)c1cccc(Br)c1 ZINC000049564129 525655530 /nfs/dbraw/zinc/65/55/30/525655530.db2.gz NFYYISWKOGCQDA-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc(-c2c(N)onc2C(F)(F)F)cc1C ZINC000061681367 525709282 /nfs/dbraw/zinc/70/92/82/525709282.db2.gz OZSQLSZUPZYZQN-UHFFFAOYSA-N 0 0 256.227 3.559 10 0 CHAERN C[C@@H](Nc1ncnc(N)c1Cl)c1ccc(Cl)cc1 ZINC000227842516 525731641 /nfs/dbraw/zinc/73/16/41/525731641.db2.gz AJTHNSAYOUAMIK-SSDOTTSWSA-N 0 0 283.162 3.539 10 0 CHAERN C[C@@](O)(CSc1ccc(F)cc1)c1ccccc1 ZINC000052098265 525779800 /nfs/dbraw/zinc/77/98/00/525779800.db2.gz YVEFOICQJXQVPK-OAHLLOKOSA-N 0 0 262.349 3.826 10 0 CHAERN C[C@@](O)(c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000055238097 525782075 /nfs/dbraw/zinc/78/20/75/525782075.db2.gz YOUMHMOHVYCQDH-CQSZACIVSA-N 0 0 268.690 3.874 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(O)cc2)o1 ZINC000133942298 525801067 /nfs/dbraw/zinc/80/10/67/525801067.db2.gz HALZYSCRDIEQBR-INIZCTEOSA-N 0 0 299.370 3.590 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2c(C)noc2C)o1 ZINC000127451661 525802478 /nfs/dbraw/zinc/80/24/78/525802478.db2.gz BJLMQUHATDEUTQ-ZDUSSCGKSA-N 0 0 288.347 3.560 10 0 CHAERN CS[C@H](C)CC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000123682266 525862171 /nfs/dbraw/zinc/86/21/71/525862171.db2.gz QCWRKOVPLIEPPU-CHWSQXEVSA-N 0 0 281.421 3.783 10 0 CHAERN CS[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000125805433 525899879 /nfs/dbraw/zinc/89/98/79/525899879.db2.gz PHRBPFFHUHCCOX-OLZOCXBDSA-N 0 0 296.436 3.576 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2OC(F)F)o1 ZINC000069723658 525912069 /nfs/dbraw/zinc/91/20/69/525912069.db2.gz GKCKTJNITQQLPK-JTQLQIEISA-N 0 0 295.285 3.680 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc(Cl)cc2N)o1 ZINC000049194228 525948028 /nfs/dbraw/zinc/94/80/28/525948028.db2.gz GTGVNROYCQCENV-VIFPVBQESA-N 0 0 250.729 3.997 10 0 CHAERN Cc1c2ccc(F)cc2oc1C(=O)c1ccncc1 ZINC000062749442 525964278 /nfs/dbraw/zinc/96/42/78/525964278.db2.gz ZIOBZBZCFBURPD-UHFFFAOYSA-N 0 0 255.248 3.506 10 0 CHAERN CSc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000150880457 526016734 /nfs/dbraw/zinc/01/67/34/526016734.db2.gz VRILQCFELLIMQI-KWQFWETISA-N 0 0 285.796 3.568 10 0 CHAERN Cc1cc(-c2ccccc2)ncc1I ZINC000047211900 526043662 /nfs/dbraw/zinc/04/36/62/526043662.db2.gz BBWBKWIROWJXMH-UHFFFAOYSA-N 0 0 295.123 3.662 10 0 CHAERN Cc1ccc(C(=O)COc2cc(F)cc(F)c2)s1 ZINC000054933401 526050023 /nfs/dbraw/zinc/05/00/23/526050023.db2.gz JMFNKBWBKISFDI-UHFFFAOYSA-N 0 0 268.284 3.596 10 0 CHAERN Cc1ccc2c(Nc3nnc(C(C)C)s3)cc(C)nc2n1 ZINC000047162492 526133963 /nfs/dbraw/zinc/13/39/63/526133963.db2.gz TVQYIDUAVVOLFL-UHFFFAOYSA-N 0 0 299.403 3.965 10 0 CHAERN Cc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1F ZINC000061838024 526241646 /nfs/dbraw/zinc/24/16/46/526241646.db2.gz MTDXIHZTOHYAJK-UHFFFAOYSA-N 0 0 268.209 3.782 10 0 CHAERN Fc1cc(Br)ccc1NCCc1cccnc1 ZINC000063222183 526294523 /nfs/dbraw/zinc/29/45/23/526294523.db2.gz NNEMZNFSCREATN-UHFFFAOYSA-N 0 0 295.155 3.638 10 0 CHAERN O[C@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703337 526300724 /nfs/dbraw/zinc/30/07/24/526300724.db2.gz FMOJQDNSZVBBOW-NSHDSACASA-N 0 0 274.263 3.728 10 0 CHAERN O[C@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062793111 526309129 /nfs/dbraw/zinc/30/91/29/526309129.db2.gz DFDBOKBZLQIFSK-NSHDSACASA-N 0 0 283.755 3.972 10 0 CHAERN Fc1cccnc1Oc1ccccc1Br ZINC000054700429 526420416 /nfs/dbraw/zinc/42/04/16/526420416.db2.gz YAPLUGDLASIRAH-UHFFFAOYSA-N 0 0 268.085 3.776 10 0 CHAERN O=C(CCN1CCCc2ccccc21)c1ccccc1 ZINC000049857863 526485132 /nfs/dbraw/zinc/48/51/32/526485132.db2.gz RJJRHLLDNDLBBG-UHFFFAOYSA-N 0 0 265.356 3.712 10 0 CHAERN c1csc([C@H](Nc2noc(-c3ccccc3)n2)C2CC2)n1 ZINC000157723055 526588230 /nfs/dbraw/zinc/58/82/30/526588230.db2.gz VIHSXRKJWLGJFF-GFCCVEGCSA-N 0 0 298.371 3.756 10 0 CHAERN Cc1nc(C2(c3ccccc3)CC2)sc1[C@@H](C)O ZINC000062782082 526770430 /nfs/dbraw/zinc/77/04/30/526770430.db2.gz YSRILBJSVKHFPL-LLVKDONJSA-N 0 0 259.374 3.585 10 0 CHAERN Cc1nc(CN2CC=C(c3cccs3)CC2)cs1 ZINC000120853169 526851330 /nfs/dbraw/zinc/85/13/30/526851330.db2.gz YWBHKXBKCYKQOR-UHFFFAOYSA-N 0 0 276.430 3.802 10 0 CHAERN Cc1nc(C[C@@H](O)c2ccc3ccccc3c2)cs1 ZINC000055294320 526918494 /nfs/dbraw/zinc/91/84/94/526918494.db2.gz PDCFXJAYYMOPQT-MRXNPFEDSA-N 0 0 269.369 3.881 10 0 CHAERN Cc1nc(Cl)cc(N2CCCc3ccccc32)n1 ZINC000052835713 526933759 /nfs/dbraw/zinc/93/37/59/526933759.db2.gz NCBHHXHTHGPRHZ-UHFFFAOYSA-N 0 0 259.740 3.523 10 0 CHAERN Clc1ccc(-n2ccnc2Br)cc1Cl ZINC000057604955 526938569 /nfs/dbraw/zinc/93/85/69/526938569.db2.gz NIFSFSHGRXQCAY-UHFFFAOYSA-N 0 0 291.963 3.942 10 0 CHAERN Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)sc1[C@@H](C)O ZINC000054911395 526972659 /nfs/dbraw/zinc/97/26/59/526972659.db2.gz CICJIJCZDQUHER-FRRDWIJNSA-N 0 0 280.437 3.521 10 0 CHAERN Clc1cccc(NCCn2ncc3ccccc32)c1 ZINC000053536784 526980404 /nfs/dbraw/zinc/98/04/04/526980404.db2.gz UXKNDROQDMRUMG-UHFFFAOYSA-N 0 0 271.751 3.802 10 0 CHAERN Clc1nc(NCC2CCCCC2)nc2c1CCC2 ZINC000057345609 527005170 /nfs/dbraw/zinc/00/51/70/527005170.db2.gz VXNFLMPUTLFUCJ-UHFFFAOYSA-N 0 0 265.788 3.611 10 0 CHAERN Cc1nc([C@H](C)N[C@H]2CCOc3ccccc32)cs1 ZINC000037074421 527067435 /nfs/dbraw/zinc/06/74/35/527067435.db2.gz RPOZHSBEWUGQRX-GWCFXTLKSA-N 0 0 274.389 3.626 10 0 CHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)C(C)C)CCC2 ZINC000111794664 527107104 /nfs/dbraw/zinc/10/71/04/527107104.db2.gz GOGJWTRLENECKL-MFKMUULPSA-N 0 0 295.452 3.515 10 0 CHAERN NC(=S)c1cc(Cl)ccc1Nc1ccccc1F ZINC000052857720 527115180 /nfs/dbraw/zinc/11/51/80/527115180.db2.gz NRZUZERKLAZJTH-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN NC(=S)c1cc(Cl)ccc1OCc1cccs1 ZINC000052859353 527115384 /nfs/dbraw/zinc/11/53/84/527115384.db2.gz FCGLPKHQGJVIBS-UHFFFAOYSA-N 0 0 283.805 3.615 10 0 CHAERN NC(=S)c1cc(Cl)ccc1Nc1cc(F)cc(F)c1 ZINC000052857776 527115434 /nfs/dbraw/zinc/11/54/34/527115434.db2.gz FNUVGNRDZWATQX-UHFFFAOYSA-N 0 0 298.745 3.996 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1cc(C)ccc1C ZINC000052842782 527122050 /nfs/dbraw/zinc/12/20/50/527122050.db2.gz YVTUQTUJFYSMLE-UHFFFAOYSA-N 0 0 251.333 3.533 10 0 CHAERN O=Cc1c(Cl)cccc1N1Cc2ccccc2C1 ZINC000050911480 527143690 /nfs/dbraw/zinc/14/36/90/527143690.db2.gz NLZZFXHKOKNHTA-UHFFFAOYSA-N 0 0 257.720 3.673 10 0 CHAERN Nc1c(F)cccc1C(=O)Nc1cccc(Cl)c1Cl ZINC000054205427 527432989 /nfs/dbraw/zinc/43/29/89/527432989.db2.gz JXIHPBGHXHNVQS-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Nc1c2ncsc2ccc1OCc1cccs1 ZINC000049584524 527438190 /nfs/dbraw/zinc/43/81/90/527438190.db2.gz DPIQJISDXUPZAM-UHFFFAOYSA-N 0 0 262.359 3.519 10 0 CHAERN Nc1cc(F)c(Nc2cc(F)cc(F)c2F)c(F)c1 ZINC000061099629 527453698 /nfs/dbraw/zinc/45/36/98/527453698.db2.gz DMBVRWFGLHQTQN-UHFFFAOYSA-N 0 0 274.192 3.708 10 0 CHAERN Nc1ccc(F)cc1N[C@H]1CCCc2sccc21 ZINC000061361066 527489180 /nfs/dbraw/zinc/48/91/80/527489180.db2.gz XPWIJLKBEPCNRI-LBPRGKRZSA-N 0 0 262.353 3.959 10 0 CHAERN Nc1cccc(Cl)c1NCc1ccc(F)c(F)c1 ZINC000049577349 527518394 /nfs/dbraw/zinc/51/83/94/527518394.db2.gz NLENLPCCJRULOX-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Nc1nc(CSc2cccc(Cl)c2)cs1 ZINC000054185042 527552152 /nfs/dbraw/zinc/55/21/52/527552152.db2.gz SLLAZMFEOXGEDS-UHFFFAOYSA-N 0 0 256.783 3.671 10 0 CHAERN Nc1nc(Cc2ccccc2)c(-c2ccccc2)o1 ZINC000050266269 527553113 /nfs/dbraw/zinc/55/31/13/527553113.db2.gz KJOZRCPNNPWHSF-UHFFFAOYSA-N 0 0 250.301 3.515 10 0 CHAERN Nc1onc([C@@H]2C[C@H]3CC[C@@H]2C3)c1-c1cccs1 ZINC000052902253 527581221 /nfs/dbraw/zinc/58/12/21/527581221.db2.gz XNMDSXGMCGTXKL-IVZWLZJFSA-N 0 0 260.362 3.889 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1cc(Cl)ccc1F ZINC000062141700 527665171 /nfs/dbraw/zinc/66/51/71/527665171.db2.gz NEESCLIKXFNUNN-AWEZNQCLSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H](Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000049346767 527665263 /nfs/dbraw/zinc/66/52/63/527665263.db2.gz QCDXKVIAKLYKRG-LBPRGKRZSA-N 0 0 264.727 3.625 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1cccc(Br)c1 ZINC000052900174 527665454 /nfs/dbraw/zinc/66/54/54/527665454.db2.gz MUYKWMBLVZGFKP-GFCCVEGCSA-N 0 0 297.217 3.657 10 0 CHAERN O[C@@H](c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000062774107 527666261 /nfs/dbraw/zinc/66/62/61/527666261.db2.gz ACUTXIRNUQITBX-ZDUSSCGKSA-N 0 0 270.225 3.926 10 0 CHAERN O[C@@H](c1ccccc1Cl)c1cccc2cnccc21 ZINC000061123839 527666745 /nfs/dbraw/zinc/66/67/45/527666745.db2.gz OQRJIUNCDUQHGT-MRXNPFEDSA-N 0 0 269.731 3.970 10 0 CHAERN FC(F)(F)Oc1ccc(NCc2ccc[nH]2)cc1 ZINC000051787941 527675487 /nfs/dbraw/zinc/67/54/87/527675487.db2.gz ARCHTHZSFIIGQB-UHFFFAOYSA-N 0 0 256.227 3.525 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(F)c(Cl)c1 ZINC000087407216 527697403 /nfs/dbraw/zinc/69/74/03/527697403.db2.gz ALEHBXOAQRQSKN-MRVPVSSYSA-N 0 0 267.735 3.694 10 0 CHAERN CCCn1c(C)nnc1SCc1oc(C(C)C)nc1C ZINC000333282109 528817771 /nfs/dbraw/zinc/81/77/71/528817771.db2.gz PPFPLWINIKFUJX-UHFFFAOYSA-N 0 0 294.424 3.709 10 0 CHAERN CCC(CC)[C@H]1CCN(c2ncnc3sccc32)C1 ZINC000301341281 528866091 /nfs/dbraw/zinc/86/60/91/528866091.db2.gz FGOYXRPGOKBNIK-LBPRGKRZSA-N 0 0 275.421 3.954 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2nc(C)nc3c2CCCC3)C1 ZINC000302098164 529234990 /nfs/dbraw/zinc/23/49/90/529234990.db2.gz OXRWXSHHYIZPBB-STQMWFEESA-N 0 0 291.464 3.750 10 0 CHAERN CCCc1cc2nc(C(C)(C)C)nn2c(Cl)c1 ZINC000725246183 567908185 /nfs/dbraw/zinc/90/81/85/567908185.db2.gz LSKDXYNBQGHRSS-UHFFFAOYSA-N 0 0 251.761 3.633 10 0 CHAERN FC(F)(Cl)[C@](F)(Cl)C(F)(Cl)Cl ZINC000103526872 567915634 /nfs/dbraw/zinc/91/56/34/567915634.db2.gz BGVZJOTUYBNJDH-SFOWXEAESA-N 0 0 253.837 3.824 10 0 CHAERN CC(C)c1cc2nc(C(F)F)nn2c(Br)c1 ZINC000725248635 570256189 /nfs/dbraw/zinc/25/61/89/570256189.db2.gz ZBPTUAUPVYNQBN-UHFFFAOYSA-N 0 0 290.111 3.553 10 0 CHAERN Fc1ccc(Br)c(NCC(F)(F)F)c1 ZINC000232246015 570410522 /nfs/dbraw/zinc/41/05/22/570410522.db2.gz GEMCOWCHRFHXRK-UHFFFAOYSA-N 0 0 272.039 3.562 10 0 CHAERN CCc1nn2c(c1Br)NCC[C@H]2C(C)(C)C ZINC000234187252 570411995 /nfs/dbraw/zinc/41/19/95/570411995.db2.gz LXKGNPZYGOUNCH-VIFPVBQESA-N 0 0 286.217 3.611 10 0 CHAERN O[C@@H]1c2c3c(cccc3ccc2-c2ccccc2)[C@@H]1O ZINC000013480192 566898085 /nfs/dbraw/zinc/89/80/85/566898085.db2.gz NRNGMUBGJNCBDO-ZWKOTPCHSA-N 0 0 262.308 3.587 10 0 CHAERN CC(C)(C)C(=O)[C@]1(C)C(=O)c2ccccc2C1(C)C ZINC000000405085 566945678 /nfs/dbraw/zinc/94/56/78/566945678.db2.gz DKJPQTIIAWRXFX-KRWDZBQOSA-N 0 0 258.361 3.782 10 0 CHAERN Cc1cc(C)c2cc(Br)c(F)cc2n1 ZINC000669372303 566949345 /nfs/dbraw/zinc/94/93/45/566949345.db2.gz MXAAHRLJASODQH-UHFFFAOYSA-N 0 0 254.102 3.753 10 0 CHAERN Cc1cc(-c2ccc(Br)cn2)c(C)cc1C=O ZINC000675072288 567023772 /nfs/dbraw/zinc/02/37/72/567023772.db2.gz CBOYRIGVRAWULK-UHFFFAOYSA-N 0 0 290.160 3.940 10 0 CHAERN C[C@H](O)c1ccc(SCc2ccco2)c(F)c1 ZINC000058823287 567217324 /nfs/dbraw/zinc/21/73/24/567217324.db2.gz FYZXGKPDHBYWNC-VIFPVBQESA-N 0 0 252.310 3.764 10 0 CHAERN C[C@H]1CCCN(c2ccc(-c3csc(N)n3)cc2F)C1 ZINC000058823214 567217462 /nfs/dbraw/zinc/21/74/62/567217462.db2.gz LDSMGSZHJGZJFX-JTQLQIEISA-N 0 0 291.395 3.768 10 0 CHAERN CCC(C)(C)C1N=NC(=S)N1C1CCCCC1 ZINC000725265556 567220105 /nfs/dbraw/zinc/22/01/05/567220105.db2.gz YOWDZZUJQYVSFU-UHFFFAOYSA-N 0 0 253.415 3.760 10 0 CHAERN Cc1cc(C(=O)Oc2cccc(Cl)c2)n(C(C)(C)C)n1 ZINC000004394510 567857236 /nfs/dbraw/zinc/85/72/36/567857236.db2.gz YNMAHWNPWKYNMD-UHFFFAOYSA-N 0 0 292.766 3.819 10 0 CHAERN C[C@H](NCC(F)(F)F)c1cccc(Br)c1 ZINC000019473303 567877890 /nfs/dbraw/zinc/87/78/90/567877890.db2.gz HYQQJUQVOJODOM-ZETCQYMHSA-N 0 0 282.103 3.662 10 0 CHAERN [NH3+][C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019433747 567878092 /nfs/dbraw/zinc/87/80/92/567878092.db2.gz KKKNZIQXBOFPBU-CYBMUJFWSA-N 0 0 269.241 3.893 10 0 CHAERN CNc1ncc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000584881254 567882764 /nfs/dbraw/zinc/88/27/64/567882764.db2.gz QAXJWLIAVGIOEK-UHFFFAOYSA-N 0 0 270.229 3.948 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000406103700 567892730 /nfs/dbraw/zinc/89/27/30/567892730.db2.gz LUQOCENNTUNLIH-RMKNXTFCSA-N 0 0 270.275 3.643 10 0 CHAERN COc1ccc(/C=C/C(=O)OC(C)(C)C)cc1Cl ZINC000405926322 567892740 /nfs/dbraw/zinc/89/27/40/567892740.db2.gz PUOWHSIIEKQLPB-SOFGYWHQSA-N 0 0 268.740 3.704 10 0 CHAERN Cc1nc(Cl)cc(-c2ccc(F)cc2Cl)n1 ZINC000123290072 567899598 /nfs/dbraw/zinc/89/95/98/567899598.db2.gz HTSYLSNTRHUQES-UHFFFAOYSA-N 0 0 257.095 3.898 10 0 CHAERN O=C(c1ccc(-c2cccc(F)c2)nc1)N1CCCCC1 ZINC000097673577 567910882 /nfs/dbraw/zinc/91/08/82/567910882.db2.gz BJRBQSFABVGAHO-UHFFFAOYSA-N 0 0 284.334 3.514 10 0 CHAERN COc1cccc2c1N[C@H](C)C[C@@H]2CC(=O)OC(C)(C)C ZINC000725253675 567911269 /nfs/dbraw/zinc/91/12/69/567911269.db2.gz DSZJNZXOYZERAU-VXGBXAGGSA-N 0 0 291.391 3.715 10 0 CHAERN C[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)c2cc(F)ccc2N1 ZINC000725253971 567912444 /nfs/dbraw/zinc/91/24/44/567912444.db2.gz VWQSZMRWTFKGDB-MNOVXSKESA-N 0 0 279.355 3.845 10 0 CHAERN C[C@H]1[C@@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C[C@H]21 ZINC000725262409 567922756 /nfs/dbraw/zinc/92/27/56/567922756.db2.gz MBZQOSXXZZQCON-FCLVOEFKSA-N 0 0 291.394 3.695 10 0 CHAERN CCN(CC(C)C)c1cc(N)ccc1C(F)(F)F ZINC000725263461 567922869 /nfs/dbraw/zinc/92/28/69/567922869.db2.gz HTFQOGUSLQBBRV-UHFFFAOYSA-N 0 0 260.303 3.770 10 0 CHAERN S=C1N=NC(c2ccsc2)N1C1CCCCC1 ZINC000725265527 567923562 /nfs/dbraw/zinc/92/35/62/567923562.db2.gz IYKUOTVZLZEPLE-UHFFFAOYSA-N 0 0 265.407 3.801 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2ccc(N)cc2)n1 ZINC000725270232 567924645 /nfs/dbraw/zinc/92/46/45/567924645.db2.gz JDWZZKZDRDAHDM-UHFFFAOYSA-N 0 0 251.280 3.651 10 0 CHAERN Clc1ncnc2cc(OCc3ccccc3)ccc12 ZINC000114717236 567926728 /nfs/dbraw/zinc/92/67/28/567926728.db2.gz GXBUBKUDKGUCTI-UHFFFAOYSA-N 0 0 270.719 3.862 10 0 CHAERN Brc1ccc(-c2cn3c(n2)CCCC3)s1 ZINC000258389408 567931026 /nfs/dbraw/zinc/93/10/26/567931026.db2.gz NBVXASPXIWWABV-UHFFFAOYSA-N 0 0 283.194 3.710 10 0 CHAERN O=C(Sc1cccs1)[C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000000108056 567935345 /nfs/dbraw/zinc/93/53/45/567935345.db2.gz OOQMTHYNAWINFS-HBNTYKKESA-N 0 0 250.388 3.969 10 0 CHAERN COc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000169419835 567939390 /nfs/dbraw/zinc/93/93/90/567939390.db2.gz ULAADVBNYHGIBP-QTMHVTGLSA-N 0 0 286.415 3.912 10 0 CHAERN CNc1ncc(-c2cccs2)cc1C(F)(F)F ZINC000584880799 570228612 /nfs/dbraw/zinc/22/86/12/570228612.db2.gz ITZKUMQXNCNYLT-UHFFFAOYSA-N 0 0 258.268 3.871 10 0 CHAERN CNc1c(N)cnc2c(Oc3ccc(C)cc3)cccc21 ZINC000584882529 570229415 /nfs/dbraw/zinc/22/94/15/570229415.db2.gz JNWBNFPXBZDARQ-UHFFFAOYSA-N 0 0 279.343 3.959 10 0 CHAERN COC(=O)c1c(C)c2cccc(OC)c2nc1C1CCC1 ZINC000584883173 570229424 /nfs/dbraw/zinc/22/94/24/570229424.db2.gz FVUIXDSJVMKPOT-UHFFFAOYSA-N 0 0 285.343 3.606 10 0 CHAERN Cc1cc(OCc2ccccc2)cc2cc(N)cnc12 ZINC000584882802 570229449 /nfs/dbraw/zinc/22/94/49/570229449.db2.gz SMTTWIBIMABHGL-UHFFFAOYSA-N 0 0 264.328 3.704 10 0 CHAERN CC(=O)Oc1c(C(C)(C)C)cc(O)cc1C(C)(C)C ZINC000013451031 570229828 /nfs/dbraw/zinc/22/98/28/570229828.db2.gz SKKZEOWXZNQGGG-UHFFFAOYSA-N 0 0 264.365 3.913 10 0 CHAERN CCc1c(C)cc2nc(C3CCC3)nn2c1Br ZINC000725248182 570255983 /nfs/dbraw/zinc/25/59/83/570255983.db2.gz MVOBXWRLQYMWAX-UHFFFAOYSA-N 0 0 294.196 3.630 10 0 CHAERN CCOc1c(Br)cc2ccccc2c1C=O ZINC000095117317 570274659 /nfs/dbraw/zinc/27/46/59/570274659.db2.gz RPMDCMVOINXRQH-UHFFFAOYSA-N 0 0 279.133 3.814 10 0 CHAERN Cc1ccc(NC(=S)N[C@@H]2C[C@H]3C=C[C@@H]2C3)c(C)c1 ZINC000215733283 570303655 /nfs/dbraw/zinc/30/36/55/570303655.db2.gz MPMPESDOZVTRHW-GZBFAFLISA-N 0 0 272.417 3.554 10 0 CHAERN CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C ZINC000000319378 570307584 /nfs/dbraw/zinc/30/75/84/570307584.db2.gz OOGMDNLVPXZVHG-KRWDZBQOSA-N 0 0 285.412 3.941 10 0 CHAERN FC(F)(F)[C@H]1CCc2cc(Br)ccc2N1 ZINC000238561171 570319309 /nfs/dbraw/zinc/31/93/09/570319309.db2.gz GHYIKNDMJIMNJZ-SECBINFHSA-N 0 0 280.087 3.738 10 0 CHAERN CCc1nc(CNCc2ccccc2)sc1CC ZINC000669382921 570352925 /nfs/dbraw/zinc/35/29/25/570352925.db2.gz NTGKZAHSGBBCAC-UHFFFAOYSA-N 0 0 260.406 3.558 10 0 CHAERN Cc1cc(-c2ccc(F)c(N)c2F)cnc1Cl ZINC000675056473 570364362 /nfs/dbraw/zinc/36/43/62/570364362.db2.gz KNIOLIBRDWFTMD-UHFFFAOYSA-N 0 0 254.667 3.571 10 0 CHAERN COC(=O)[C@H](C)c1cc(Cl)nc2c(C)ccc(C)c12 ZINC000675067359 570366060 /nfs/dbraw/zinc/36/60/60/570366060.db2.gz AVVWFKNOQBOBNO-SNVBAGLBSA-N 0 0 277.751 3.782 10 0 CHAERN Fc1c(Cl)nc(SC2CCCC2)nc1Cl ZINC000616569316 570408637 /nfs/dbraw/zinc/40/86/37/570408637.db2.gz JHDJMZXGVHSXQB-UHFFFAOYSA-N 0 0 267.156 3.957 10 0 CHAERN CC(=O)OC/C(C)=C\CC[C@@]1(C)C2C[C@@H]3[C@H](C2)C31C ZINC000003598530 571683395 /nfs/dbraw/zinc/68/33/95/571683395.db2.gz IXRPKRWXUJOOBZ-LZLMPUAQSA-N 0 0 262.393 3.958 10 0 endogenous,in-man CHAERN O=C([O-])c1cc(C[NH2+][C@@H]2CCCc3ccccc32)cs1 ZINC000689089973 976216431 /nfs/dbraw/zinc/21/64/31/976216431.db2.gz SXSQYFTXZVWASV-CQSZACIVSA-N 0 0 287.384 3.614 10 0 CHAERN Cc1cc([C@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)c(C)o1 ZINC000689151561 976233689 /nfs/dbraw/zinc/23/36/89/976233689.db2.gz VKFJDMKEVLLEMI-VIFPVBQESA-N 0 0 279.361 3.507 10 0 CHAERN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708555535 977435813 /nfs/dbraw/zinc/43/58/13/977435813.db2.gz MPDXZGARZYLTOF-NEPJUHHUSA-N 0 0 279.380 3.797 10 0 CHAERN C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708555538 977436021 /nfs/dbraw/zinc/43/60/21/977436021.db2.gz MPDXZGARZYLTOF-NWDGAFQWSA-N 0 0 279.380 3.797 10 0 CHAERN CC(C)CC(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000102133415 1122885566 /nfs/dbraw/zinc/88/55/66/1122885566.db2.gz RJCKTWUDVVJKHX-LBPRGKRZSA-N 0 0 257.333 3.885 10 0 CHAERN CC(C)Oc1ccc(NC[C@@H]2CCCOC2)cc1Cl ZINC000104421883 1122988869 /nfs/dbraw/zinc/98/88/69/1122988869.db2.gz BYXDXDBJQCPMCD-LBPRGKRZSA-N 0 0 283.799 3.966 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)cs1 ZINC000187111769 1126908280 /nfs/dbraw/zinc/90/82/80/1126908280.db2.gz NDNKPKZIWNUSAR-AWEZNQCLSA-N 0 0 290.363 3.568 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2F)cs1 ZINC000187095115 1126908375 /nfs/dbraw/zinc/90/83/75/1126908375.db2.gz PTGWLDPCDHXZEC-AWEZNQCLSA-N 0 0 290.363 3.568 10 0 CHAERN C[C@H](NC/C(Cl)=C\Cl)c1ccccc1-n1cccn1 ZINC000588382571 1118480775 /nfs/dbraw/zinc/48/07/75/1118480775.db2.gz PGPIHYNYQPWFCP-UTEVDWOZSA-N 0 0 296.201 3.842 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000588395629 1118527128 /nfs/dbraw/zinc/52/71/28/1118527128.db2.gz ZJCSEHIYUMGNFL-CFYYFVFUSA-N 0 0 291.366 3.758 10 0 CHAERN CCOC(=O)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000409425542 1118544267 /nfs/dbraw/zinc/54/42/67/1118544267.db2.gz ADKQUGQVHPRGHV-UHFFFAOYSA-N 0 0 286.114 3.825 10 0 CHAERN CSc1nc(-c2cc(Cl)ccc2Cl)cc(=O)[nH]1 ZINC000409431384 1118545173 /nfs/dbraw/zinc/54/51/73/1118545173.db2.gz QBIPICDKCOJNSD-UHFFFAOYSA-N 0 0 287.171 3.878 10 0 CHAERN C/C(=C\c1ccc(C)cc1)C(=O)OCCc1cccnc1 ZINC000588402266 1118546359 /nfs/dbraw/zinc/54/63/59/1118546359.db2.gz ACHWGNQYYBNTLT-NTCAYCPXSA-N 0 0 281.355 3.579 10 0 CHAERN Cc1ccnn1-c1ccccc1NC(=O)/C=C\C(C)(C)C ZINC000588428294 1118698650 /nfs/dbraw/zinc/69/86/50/1118698650.db2.gz ZZJFKXPJUIACCP-LUAWRHEFSA-N 0 0 283.375 3.722 10 0 CHAERN C/C(=C/C(=O)OC1C[C@H](C)O[C@@H](C)C1)c1cccc(F)c1 ZINC000588448861 1118788675 /nfs/dbraw/zinc/78/86/75/1118788675.db2.gz JWUPIGNSZDQAAS-LVRHIEOCSA-N 0 0 292.350 3.728 10 0 CHAERN C/C(=C\c1ccc(F)cc1)C(=O)OCCC[C@@H]1CCCO1 ZINC000588448940 1118789359 /nfs/dbraw/zinc/78/93/59/1118789359.db2.gz GIYMWNUYMNYWQU-DBTPVHCXSA-N 0 0 292.350 3.731 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(CC(C)C)CC(C)C ZINC000588452001 1118798354 /nfs/dbraw/zinc/79/83/54/1118798354.db2.gz CTQDAQFIQCVYSE-HJWRWDBZSA-N 0 0 274.408 3.544 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000588453513 1118799998 /nfs/dbraw/zinc/79/99/98/1118799998.db2.gz UJZLOEAQRWMSIP-YSANFCEKSA-N 0 0 294.398 3.712 10 0 CHAERN CC(C)(C)/C=C\C(=O)N[C@@H]1CCCc2sccc21 ZINC000588474852 1118898955 /nfs/dbraw/zinc/89/89/55/1118898955.db2.gz MBKATFGRMCXNNK-ZVTBTPLYSA-N 0 0 263.406 3.844 10 0 CHAERN C[C@@H](CCCC(F)(F)F)OC(=O)/C=C\c1cccnc1 ZINC000588510128 1119044288 /nfs/dbraw/zinc/04/42/88/1119044288.db2.gz OEYHGUQJCPVIMK-ZADCQDASSA-N 0 0 287.281 3.759 10 0 CHAERN CCc1ccccc1OC(=O)/C=C\c1scnc1C ZINC000588522784 1119093089 /nfs/dbraw/zinc/09/30/89/1119093089.db2.gz NSJWRDYUNXRUEQ-HJWRWDBZSA-N 0 0 273.357 3.633 10 0 CHAERN Cc1ncsc1/C=C\C(=O)OCC1(c2ccccc2)CC1 ZINC000588522744 1119093344 /nfs/dbraw/zinc/09/33/44/1119093344.db2.gz VSPVPEDCKGOHMX-FPLPWBNLSA-N 0 0 299.395 3.740 10 0 CHAERN C/C=C(/CC)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000588570726 1119323109 /nfs/dbraw/zinc/32/31/09/1119323109.db2.gz NCJLAVFNGPZROI-LELDJUSMSA-N 0 0 269.344 3.842 10 0 CHAERN C/C=C(\CC)C(=O)NCCc1cn(C)c2cc(C)ccc12 ZINC000588573067 1119330767 /nfs/dbraw/zinc/33/07/67/1119330767.db2.gz CUEBRTSJTAEPBH-LHHJGKSTSA-N 0 0 284.403 3.502 10 0 CHAERN Cc1ccc(OCc2ccc(OC(F)F)cc2)cn1 ZINC000101540956 1119655694 /nfs/dbraw/zinc/65/56/94/1119655694.db2.gz LUVRRLUTWLMQDD-UHFFFAOYSA-N 0 0 265.259 3.570 10 0 CHAERN Cc1ccc(C(=O)c2cc3nc(C)ccc3o2)s1 ZINC000103500618 1119995128 /nfs/dbraw/zinc/99/51/28/1119995128.db2.gz WJZHAKRPLDGEKC-UHFFFAOYSA-N 0 0 257.314 3.737 10 0 CHAERN Clc1sccc1N[C@H]1CCCc2n[nH]cc21 ZINC000375843326 1120016371 /nfs/dbraw/zinc/01/63/71/1120016371.db2.gz XZUNDJOSISSUQO-QMMMGPOBSA-N 0 0 253.758 3.614 10 0 CHAERN CC(C)C(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000103808576 1122095680 /nfs/dbraw/zinc/09/56/80/1122095680.db2.gz AEDBSLJJOMIQFL-HNNXBMFYSA-N 0 0 273.307 3.509 10 0 CHAERN CC(C)CC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103844934 1122259502 /nfs/dbraw/zinc/25/95/02/1122259502.db2.gz JVFDZJWRURJSLN-UHFFFAOYSA-N 0 0 286.331 3.566 10 0 CHAERN CC(C)=CC(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000102133260 1122885072 /nfs/dbraw/zinc/88/50/72/1122885072.db2.gz NJEZATNBICZGLS-GFCCVEGCSA-N 0 0 255.317 3.805 10 0 CHAERN Cc1ocnc1C(=O)Oc1cc(C(C)C)ccc1C ZINC000105755205 1123065832 /nfs/dbraw/zinc/06/58/32/1123065832.db2.gz QYMOQFQTNJSDQF-UHFFFAOYSA-N 0 0 259.305 3.634 10 0 CHAERN Cc1ccc(/C=C/C(=O)OC(C)C)c(Br)c1 ZINC000106000686 1123103116 /nfs/dbraw/zinc/10/31/16/1123103116.db2.gz OUOHBGBFIPHYAO-VOTSOKGWSA-N 0 0 283.165 3.722 10 0 CHAERN O=C(C1CC2(CCC2)C1)N1CCCC[C@H]1c1nccs1 ZINC000335382786 1123367062 /nfs/dbraw/zinc/36/70/62/1123367062.db2.gz QYBINIMRUSBLRQ-ZDUSSCGKSA-N 0 0 290.432 3.777 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000335412239 1123371735 /nfs/dbraw/zinc/37/17/35/1123371735.db2.gz MBWRENUTECQCNM-QWHCGFSZSA-N 0 0 290.432 3.734 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000335412237 1123372083 /nfs/dbraw/zinc/37/20/83/1123372083.db2.gz MBWRENUTECQCNM-CHWSQXEVSA-N 0 0 290.432 3.734 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000335412238 1123372195 /nfs/dbraw/zinc/37/21/95/1123372195.db2.gz MBWRENUTECQCNM-OLZOCXBDSA-N 0 0 290.432 3.734 10 0 CHAERN NC(=O)[C@H]1CCC[C@@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329762590 1123653527 /nfs/dbraw/zinc/65/35/27/1123653527.db2.gz SVNIQDMQTZNHIO-QWHCGFSZSA-N 0 0 289.379 3.922 10 0 CHAERN CCc1nnc(-c2cccc(NCC=C(C)C)c2)o1 ZINC000192333132 1125333161 /nfs/dbraw/zinc/33/31/61/1125333161.db2.gz KBJXMYKTBZGLCL-UHFFFAOYSA-N 0 0 257.337 3.677 10 0 CHAERN CCOc1ccccc1CCC(=O)N(C(C)C)C(C)C ZINC000103933230 1125375696 /nfs/dbraw/zinc/37/56/96/1125375696.db2.gz ZJGLGSOQLDWRQJ-UHFFFAOYSA-N 0 0 277.408 3.663 10 0 CHAERN CO[C@@H](C)c1cccc(NC(=O)CCCc2ccccn2)c1 ZINC000104887081 1125420349 /nfs/dbraw/zinc/42/03/49/1125420349.db2.gz YZBAPVFNHQDAEJ-AWEZNQCLSA-N 0 0 298.386 3.750 10 0 CHAERN CCCOC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000103641594 1131920149 /nfs/dbraw/zinc/92/01/49/1131920149.db2.gz PFUJDWJZQRJVAA-UHFFFAOYSA-N 0 0 291.372 3.528 10 0 CHAERN CC(C)c1ncc(OC2CC2)cc1Br ZINC000095721063 185018782 /nfs/dbraw/zinc/01/87/82/185018782.db2.gz NUJHIGLJZIMEIQ-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)c1nc(Br)ccc1OC1CC1 ZINC000095720103 185019119 /nfs/dbraw/zinc/01/91/19/185019119.db2.gz KQBIFOTZWKRPOH-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1cnc(Br)cc1OC1CC1 ZINC000095723530 185020662 /nfs/dbraw/zinc/02/06/62/185020662.db2.gz QNQUABLRZRZMAX-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN FC(F)(F)c1cc(Br)ncc1Cl ZINC000095763746 185026238 /nfs/dbraw/zinc/02/62/38/185026238.db2.gz LUCNBTHJRJGMTJ-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN Cc1cnc(NCCC(C)C)c(Br)c1 ZINC000082567075 178097399 /nfs/dbraw/zinc/09/73/99/178097399.db2.gz NFNZDQQUYNFPFO-UHFFFAOYSA-N 0 0 257.175 3.611 10 0 CHAERN CC1(C)CNc2c1cc(Br)cc2Cl ZINC000082569893 178104961 /nfs/dbraw/zinc/10/49/61/178104961.db2.gz BITOJJRTPQPOHO-UHFFFAOYSA-N 0 0 260.562 3.806 10 0 CHAERN Cc1cc(-c2nc3cccnc3n2C(C)C)ccc1N ZINC000082573218 178112764 /nfs/dbraw/zinc/11/27/64/178112764.db2.gz CEDRHILYVIOLFL-UHFFFAOYSA-N 0 0 266.348 3.570 10 0 CHAERN OCc1ccc(F)cc1Oc1ccc(Cl)cc1 ZINC000095917663 185031142 /nfs/dbraw/zinc/03/11/42/185031142.db2.gz COCGWFKCAVXVNK-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN COC(=O)CCc1c2cc(C)ccc2[nH]c1C(F)(F)F ZINC000095930760 185032777 /nfs/dbraw/zinc/03/27/77/185032777.db2.gz MQHYTMVGUKMGMW-UHFFFAOYSA-N 0 0 285.265 3.601 10 0 CHAERN O=C(/C=C\c1cccc(Cl)c1Cl)N1CCCC1 ZINC000095938460 185035409 /nfs/dbraw/zinc/03/54/09/185035409.db2.gz LCNDZVMXRWIZLE-SREVYHEPSA-N 0 0 270.159 3.629 10 0 CHAERN CC(C)(C)CC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000082621005 178132371 /nfs/dbraw/zinc/13/23/71/178132371.db2.gz SURZXEXEWXKUQS-UHFFFAOYSA-N 0 0 259.349 3.535 10 0 CHAERN CN[C@@H](Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000082717660 178233256 /nfs/dbraw/zinc/23/32/56/178233256.db2.gz GFCIZXBZLPPENY-QMMMGPOBSA-N 0 0 272.097 3.686 10 0 CHAERN Cc1ccc(Br)c2ccnc(Cl)c12 ZINC000082766614 178280821 /nfs/dbraw/zinc/28/08/21/178280821.db2.gz YQEJCBQJAZNXRP-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1cccc2c(Cl)ncc(Br)c12 ZINC000082767440 178282025 /nfs/dbraw/zinc/28/20/25/178282025.db2.gz OIEHDAQHUXWPSL-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CSc1ccc(C)cc1[C@@H](O)c1cccs1 ZINC000083141133 178341077 /nfs/dbraw/zinc/34/10/77/178341077.db2.gz ZTTFJYNCXFSNIP-CYBMUJFWSA-N 0 0 250.388 3.860 10 0 CHAERN Cc1cc(Cl)c(C(=O)c2ccc(N)cc2)cc1C ZINC000083165590 178347513 /nfs/dbraw/zinc/34/75/13/178347513.db2.gz ARWWWSXQRSUEQF-UHFFFAOYSA-N 0 0 259.736 3.770 10 0 CHAERN COC(=O)c1ncsc1-c1ccc(Cl)cc1Cl ZINC000083239279 178365794 /nfs/dbraw/zinc/36/57/94/178365794.db2.gz CTKJLGXHHMKTQW-UHFFFAOYSA-N 0 0 288.155 3.904 10 0 CHAERN Cc1ccc(CNc2cnccc2Cl)cc1F ZINC000083383920 178387217 /nfs/dbraw/zinc/38/72/17/178387217.db2.gz PXVCYTLRDDGBJQ-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN OCc1ncc(-c2cccc(Cl)c2Cl)s1 ZINC000083250362 178368235 /nfs/dbraw/zinc/36/82/35/178368235.db2.gz RKEVWKTYWPDAIL-UHFFFAOYSA-N 0 0 260.145 3.609 10 0 CHAERN OCc1ncc(-c2ccc(OCc3ccccc3)cc2)s1 ZINC000083250383 178368770 /nfs/dbraw/zinc/36/87/70/178368770.db2.gz CRWUODMZPYPQIR-UHFFFAOYSA-N 0 0 297.379 3.881 10 0 CHAERN Cc1ccc(Br)cc1C(=O)CC(C)C ZINC000083256130 178371487 /nfs/dbraw/zinc/37/14/87/178371487.db2.gz SADNMYZUUTWJCF-UHFFFAOYSA-N 0 0 255.155 3.986 10 0 CHAERN O=C(CCc1ccccc1)c1ccc(Br)o1 ZINC000096919102 185130110 /nfs/dbraw/zinc/13/01/10/185130110.db2.gz CWZYYVNLVXVORI-UHFFFAOYSA-N 0 0 279.133 3.858 10 0 CHAERN Brc1cccc2[nH]c(Cc3ccccc3)nc21 ZINC000096975296 185144650 /nfs/dbraw/zinc/14/46/50/185144650.db2.gz JKQQRNSDTCAGNI-UHFFFAOYSA-N 0 0 287.160 3.916 10 0 CHAERN Nc1ccccc1-c1ccccc1I ZINC000039279478 260171657 /nfs/dbraw/zinc/17/16/57/260171657.db2.gz GIENTRDNYCFURI-UHFFFAOYSA-N 0 0 295.123 3.540 10 0 CHAERN CCc1nc2cc(N[C@H]3CSC[C@@H]3C)ccc2o1 ZINC000296227025 529748514 /nfs/dbraw/zinc/74/85/14/529748514.db2.gz CDWBRPDMZQMZIS-CABZTGNLSA-N 0 0 262.378 3.554 10 0 CHAERN Cc1ocnc1C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000128072866 187348838 /nfs/dbraw/zinc/34/88/38/187348838.db2.gz LQEKOKVBACHYEL-GFCCVEGCSA-N 0 0 286.375 3.673 10 0 CHAERN OCc1sc(Oc2ccc(Cl)cc2)nc1Cl ZINC000084194032 178822467 /nfs/dbraw/zinc/82/24/67/178822467.db2.gz QDAKBCXSXBDEQR-UHFFFAOYSA-N 0 0 276.144 3.735 10 0 CHAERN CC[C@H]1Nc2cc(F)ccc2N(Cc2ccccc2)C1=O ZINC000076892102 136498654 /nfs/dbraw/zinc/49/86/54/136498654.db2.gz KIMWEXCLKSSLGU-CQSZACIVSA-N 0 0 284.334 3.563 10 0 CHAERN COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1 ZINC000097447451 185606826 /nfs/dbraw/zinc/60/68/26/185606826.db2.gz WSCPNTNIFNLGRL-UHFFFAOYSA-N 0 0 299.301 3.673 10 0 CHAERN CC(C)(C)OC(=O)n1cccc1-c1cccc2c1C(=O)N=C2 ZINC000085345530 179028400 /nfs/dbraw/zinc/02/84/00/179028400.db2.gz XFCBKUOWYBXHFP-UHFFFAOYSA-N 0 0 296.326 3.511 10 0 CHAERN FC(F)(F)c1ccc(Br)c(CC2COC2)c1 ZINC000097758284 185662815 /nfs/dbraw/zinc/66/28/15/185662815.db2.gz UMLSRZLTYRRAPJ-UHFFFAOYSA-N 0 0 295.098 3.657 10 0 CHAERN COc1c(C)cc(Cl)cc1CCCCC(C)=O ZINC000098129268 185691277 /nfs/dbraw/zinc/69/12/77/185691277.db2.gz RBZOLTKXPXULFZ-UHFFFAOYSA-N 0 0 254.757 3.959 10 0 CHAERN COc1cc([C@@H](O)c2ccccc2)cc2ccccc21 ZINC000098177859 185697478 /nfs/dbraw/zinc/69/74/78/185697478.db2.gz QXHRSIAACLEHTJ-SFHVURJKSA-N 0 0 264.324 3.930 10 0 CHAERN COc1c(C)c(Cl)c(NC(C)=O)c(Cl)c1C ZINC000098177644 185697575 /nfs/dbraw/zinc/69/75/75/185697575.db2.gz OVFNQGQFIDVIEY-UHFFFAOYSA-N 0 0 262.136 3.577 10 0 CHAERN C[C@H](O)c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000103919321 136553761 /nfs/dbraw/zinc/55/37/61/136553761.db2.gz MWFKXSCYXYLMQA-NUEKZKHPSA-N 0 0 259.393 3.756 10 0 CHAERN Cc1cccc(C(=O)N2c3ccccc3CC[C@H]2C)c1N ZINC000019407669 136576773 /nfs/dbraw/zinc/57/67/73/136576773.db2.gz ATLYFQMKRIVCGE-CYBMUJFWSA-N 0 0 280.371 3.559 10 0 CHAERN OC[C@H](Cc1ccccc1)c1ccccc1Br ZINC000086369539 179278286 /nfs/dbraw/zinc/27/82/86/179278286.db2.gz JQXZHORFBRGWQS-ZDUSSCGKSA-N 0 0 291.188 3.768 10 0 CHAERN CCCCc1nc(-c2ccccc2)n(CCC)c1N ZINC000103502574 185846507 /nfs/dbraw/zinc/84/65/07/185846507.db2.gz VFNNRAZKYUBXEW-UHFFFAOYSA-N 0 0 257.381 3.885 10 0 CHAERN Cc1cccc(CCn2c(Cl)nnc2C(C)(C)C)c1 ZINC000103924484 185862262 /nfs/dbraw/zinc/86/22/62/185862262.db2.gz JUNGMUUDZWZPHE-UHFFFAOYSA-N 0 0 277.799 3.780 10 0 CHAERN COc1cc(Oc2ccc(C)cc2C)c(N)cc1F ZINC000104125132 185899481 /nfs/dbraw/zinc/89/94/81/185899481.db2.gz DYNXQNUKJYANDO-UHFFFAOYSA-N 0 0 261.296 3.826 10 0 CHAERN CCOc1cccc(N[C@H](C)Cc2ccccc2)n1 ZINC000104108147 185896674 /nfs/dbraw/zinc/89/66/74/185896674.db2.gz YYVRHUIXKJYFMU-CYBMUJFWSA-N 0 0 256.349 3.523 10 0 CHAERN Nc1cc(F)c(Oc2nc3ccccc3s2)cc1F ZINC000104133898 185904184 /nfs/dbraw/zinc/90/41/84/185904184.db2.gz ARIZTBDKCXQXRE-UHFFFAOYSA-N 0 0 278.283 3.949 10 0 CHAERN COc1cc(OCc2ccccc2Cl)ccc1N ZINC000104235737 185938615 /nfs/dbraw/zinc/93/86/15/185938615.db2.gz ABLDUCOEENWDJW-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1nc(Cl)c(C)c(OCC2CCCCC2)n1 ZINC000104229406 185936843 /nfs/dbraw/zinc/93/68/43/185936843.db2.gz CZYKLMMLSPCIKD-UHFFFAOYSA-N 0 0 254.761 3.706 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1ccc(F)cc1C(N)=S ZINC000104251932 185944292 /nfs/dbraw/zinc/94/42/92/185944292.db2.gz LGLJJAJIRFFHAX-GXFFZTMASA-N 0 0 280.412 3.841 10 0 CHAERN CCOc1cc(Oc2cc(F)ccc2F)ccc1N ZINC000104253759 185945028 /nfs/dbraw/zinc/94/50/28/185945028.db2.gz DWNJUQKWSAKWTA-UHFFFAOYSA-N 0 0 265.259 3.738 10 0 CHAERN COc1ccccc1Sc1ccc([C@H](C)O)cc1 ZINC000104299894 185959152 /nfs/dbraw/zinc/95/91/52/185959152.db2.gz ZHMMERXHQKGNAS-NSHDSACASA-N 0 0 260.358 3.900 10 0 CHAERN Nc1cccc(Cl)c1C(=O)Nc1cccc(Cl)c1F ZINC000104336034 185973150 /nfs/dbraw/zinc/97/31/50/185973150.db2.gz RRAZEBOUWUNNFF-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cc1cccn2c(N)c(-c3ccccc3Cl)nc12 ZINC000104346024 185977760 /nfs/dbraw/zinc/97/77/60/185977760.db2.gz DBIQWRGGCJUUGB-UHFFFAOYSA-N 0 0 257.724 3.545 10 0 CHAERN C[C@@H](CC(=O)c1ccc(N(C)C=O)cc1)C(C)(C)C ZINC000104434047 186000183 /nfs/dbraw/zinc/00/01/83/186000183.db2.gz SDULJNIBQUCJDQ-LBPRGKRZSA-N 0 0 261.365 3.534 10 0 CHAERN CCC(CC)[C@@H](C)Nc1cc(OC)c(F)cc1N ZINC000104431649 186000607 /nfs/dbraw/zinc/00/06/07/186000607.db2.gz QOMMVIKBFNHZTF-SECBINFHSA-N 0 0 254.349 3.653 10 0 CHAERN COc1ncc(-c2ccc(F)c(F)c2)c2c(O)cccc12 ZINC000090555756 180003183 /nfs/dbraw/zinc/00/31/83/180003183.db2.gz QDXZWVLGBMDLDT-UHFFFAOYSA-N 0 0 287.265 3.894 10 0 CHAERN CCC(CC)[C@H](C)NC(=O)c1nc(Cl)ccc1Cl ZINC000104438461 186001959 /nfs/dbraw/zinc/00/19/59/186001959.db2.gz KKYIDBIJQRNILR-QMMMGPOBSA-N 0 0 289.206 3.943 10 0 CHAERN c1ccc(COCCC2CCC3(CC2)OCCO3)cc1 ZINC000090628417 180016616 /nfs/dbraw/zinc/01/66/16/180016616.db2.gz LCDBVCWOKHNEMZ-UHFFFAOYSA-N 0 0 276.376 3.527 10 0 CHAERN CC(C)(C)c1ccc2occ(Br)c(=O)c2c1 ZINC000090647017 180017847 /nfs/dbraw/zinc/01/78/47/180017847.db2.gz BMGAFYQPEZYXJD-UHFFFAOYSA-N 0 0 281.149 3.853 10 0 CHAERN CCN(CC1CCC1)c1nc2c(C)cccc2cc1C=O ZINC000090450293 179987094 /nfs/dbraw/zinc/98/70/94/179987094.db2.gz VIIYNKHRTNWCSL-UHFFFAOYSA-N 0 0 282.387 3.982 10 0 CHAERN CCCNc1ccc(Cl)c(CSCCCOC)n1 ZINC000104449168 186005923 /nfs/dbraw/zinc/00/59/23/186005923.db2.gz SRGQLPAUMKOLAC-UHFFFAOYSA-N 0 0 288.844 3.827 10 0 CHAERN COc1ccc(OC)c([C@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104450192 186006769 /nfs/dbraw/zinc/00/67/69/186006769.db2.gz NWBDSQAGXLZWEW-BXUZGUMPSA-N 0 0 266.381 3.810 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(N)cc2)CC1 ZINC000091675921 180225251 /nfs/dbraw/zinc/22/52/51/180225251.db2.gz BXFZKBFBMLUTOL-ZDUSSCGKSA-N 0 0 290.407 3.773 10 0 CHAERN Fc1ccc2c(OCC3CC3)cnc(Cl)c2c1 ZINC000091692542 180228432 /nfs/dbraw/zinc/22/84/32/180228432.db2.gz BCUNQDCYADYJFY-UHFFFAOYSA-N 0 0 251.688 3.816 10 0 CHAERN O=Cc1cn(C2CC2)c2cc(Br)ccc12 ZINC000140790810 187908828 /nfs/dbraw/zinc/90/88/28/187908828.db2.gz HHUFBWYBVYCKSO-UHFFFAOYSA-N 0 0 264.122 3.551 10 0 CHAERN CCN(CC)c1ccc(OC(=O)c2cccc(OC)c2)cc1 ZINC000169321081 188658145 /nfs/dbraw/zinc/65/81/45/188658145.db2.gz OKVOCAFFAWBNQM-UHFFFAOYSA-N 0 0 299.370 3.761 10 0 CHAERN COc1ccccc1-c1coc(-c2ccc(N)cc2)n1 ZINC000328800258 202062752 /nfs/dbraw/zinc/06/27/52/202062752.db2.gz ABOAJZUKNTYLNJ-UHFFFAOYSA-N 0 0 266.300 3.599 10 0 in-vitro CHAERN CC(=O)c1cc2c(Br)cccc2nc1Cl ZINC000261507090 190039670 /nfs/dbraw/zinc/03/96/70/190039670.db2.gz FFAALSXXAGAYKN-UHFFFAOYSA-N 0 0 284.540 3.853 10 0 CHAERN O=c1[nH]c(-c2ccccc2)nc2c(Cl)cccc12 ZINC000261507940 190040060 /nfs/dbraw/zinc/04/00/60/190040060.db2.gz OAKSHUMJUNVTAO-UHFFFAOYSA-N 0 0 256.692 3.656 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000050771090 522624902 /nfs/dbraw/zinc/62/49/02/522624902.db2.gz FYNGOGWVKCQBTM-GHMZBOCLSA-N 0 0 280.799 3.642 10 0 CHAERN O=C(Oc1ccccc1)c1cc(Cl)cnc1Cl ZINC000000166845 169560950 /nfs/dbraw/zinc/56/09/50/169560950.db2.gz FJLUELAATSZDTR-UHFFFAOYSA-N 0 0 268.099 3.608 10 0 CHAERN CC(=O)c1cccc2c1ccn2C(=O)OC(C)(C)C ZINC000039407463 184547180 /nfs/dbraw/zinc/54/71/80/184547180.db2.gz POKHQUQFEQBDHB-UHFFFAOYSA-N 0 0 259.305 3.627 10 0 CHAERN CCc1nc(C)cc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000312414459 260008063 /nfs/dbraw/zinc/00/80/63/260008063.db2.gz XMBDURWMMNQCML-LBPRGKRZSA-N 0 0 273.355 3.968 10 0 CHAERN CCOC(=O)c1oc2c(cccc2Br)c1C ZINC000095348066 184948992 /nfs/dbraw/zinc/94/89/92/184948992.db2.gz GNEPOEVUMOGYDJ-UHFFFAOYSA-N 0 0 283.121 3.680 10 0 CHAERN COC(=O)CCc1nc2c(ccc3ccccc23)s1 ZINC000001462898 169707874 /nfs/dbraw/zinc/70/78/74/169707874.db2.gz FBYIYGGCBAFPAQ-UHFFFAOYSA-N 0 0 271.341 3.555 10 0 CHAERN Cc1cccc(C2CC(Nc3cccc(CO)c3)C2)c1 ZINC000037048688 260065959 /nfs/dbraw/zinc/06/59/59/260065959.db2.gz OISPNCWOPBVNIC-UHFFFAOYSA-N 0 0 267.372 3.845 10 0 CHAERN CCCN(C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000171418680 335065357 /nfs/dbraw/zinc/06/53/57/335065357.db2.gz ARSJYAXJTMZBPL-MNOVXSKESA-N 0 0 292.345 3.692 10 0 CHAERN CC[C@@H]1CCCN(c2ccc3scnc3c2N)C1 ZINC000036168856 134807781 /nfs/dbraw/zinc/80/77/81/134807781.db2.gz RJXPBBHYNKOEDT-SNVBAGLBSA-N 0 0 261.394 3.505 10 0 CHAERN O=Cc1cc(F)ccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000036827272 134824130 /nfs/dbraw/zinc/82/41/30/134824130.db2.gz AMRQOEPACPHJLH-DOMZBBRYSA-N 0 0 261.340 3.797 10 0 CHAERN O=C(Oc1ccccc1)N1CCCc2ccccc21 ZINC000070236736 134945714 /nfs/dbraw/zinc/94/57/14/134945714.db2.gz JOYLUMDDEQWYFZ-UHFFFAOYSA-N 0 0 253.301 3.638 10 0 CHAERN CC(C)(C)c1ccc(CN2c3ccccc3C(=O)C2=O)cc1 ZINC000003037962 169850570 /nfs/dbraw/zinc/85/05/70/169850570.db2.gz ZYLFXFXARQRKMB-UHFFFAOYSA-N 0 0 293.366 3.714 10 0 CHAERN CS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000003611711 169902294 /nfs/dbraw/zinc/90/22/94/169902294.db2.gz RLYMRVHDFRTVTK-UHFFFAOYSA-N 0 0 282.748 3.536 10 0 CHAERN CCCC[C@@H](c1ccncc1)n1nnc2ccccc21 ZINC000005309778 170084810 /nfs/dbraw/zinc/08/48/10/170084810.db2.gz YVKIJBDRTNUBDC-HNNXBMFYSA-N 0 0 266.348 3.606 10 0 CHAERN CC(=O)Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000005378885 170091766 /nfs/dbraw/zinc/09/17/66/170091766.db2.gz SLBBIGRUTZYTSJ-UHFFFAOYSA-N 0 0 289.718 3.518 10 0 CHAERN c1c[nH]c(-c2sc(-c3ccc[nH]3)c3c2OCCO3)c1 ZINC000005426341 170098036 /nfs/dbraw/zinc/09/80/36/170098036.db2.gz SJXXJAZBIKJJIZ-UHFFFAOYSA-N 0 0 272.329 3.510 10 0 CHAERN CC(C)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000005643715 170123386 /nfs/dbraw/zinc/12/33/86/170123386.db2.gz KTGXBOUMSMVVTH-UHFFFAOYSA-N 0 0 295.338 3.522 10 0 CHAERN CC(=O)Nc1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000005726243 170133606 /nfs/dbraw/zinc/13/36/06/170133606.db2.gz MNOFLNFGHPKNGU-UHFFFAOYSA-N 0 0 285.387 3.818 10 0 CHAERN CC[C@H](C)Oc1cc(N)nc(Sc2ccc(F)cc2)n1 ZINC000005846475 170146481 /nfs/dbraw/zinc/14/64/81/170146481.db2.gz UURKELCZHKBJLY-VIFPVBQESA-N 0 0 293.367 3.526 10 0 CHAERN CCOc1ccccc1C(=O)n1cnc2cc(C)c(C)cc21 ZINC000005908555 170153902 /nfs/dbraw/zinc/15/39/02/170153902.db2.gz FGUACDKGSTYXMP-UHFFFAOYSA-N 0 0 294.354 3.740 10 0 CHAERN CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000005978722 170165471 /nfs/dbraw/zinc/16/54/71/170165471.db2.gz PXWREVZYUQMXSM-YHWZYXNKSA-N 0 0 299.505 3.515 10 0 CHAERN O=C(c1ccc(O)cc1)c1c(Cl)cccc1Cl ZINC000006091665 170175330 /nfs/dbraw/zinc/17/53/30/170175330.db2.gz MLWKCPQXHJATBQ-UHFFFAOYSA-N 0 0 267.111 3.930 10 0 CHAERN O=C1CC=C(c2ccc(Oc3ccccc3)cc2)O1 ZINC000006241439 170185033 /nfs/dbraw/zinc/18/50/33/170185033.db2.gz FDRMZDABFNEWEW-UHFFFAOYSA-N 0 0 252.269 3.767 10 0 CHAERN C[C@H]1CCCCN1CC(=O)c1ccc(Br)cc1 ZINC000006253368 170185608 /nfs/dbraw/zinc/18/56/08/170185608.db2.gz FZMYIBQTIUEEMT-NSHDSACASA-N 0 0 296.208 3.506 10 0 CHAERN C[C@@H](Nc1ccc2ccccc2c1)C(=O)NC1CCCC1 ZINC000006285198 170188544 /nfs/dbraw/zinc/18/85/44/170188544.db2.gz HIGUHPBTKFEXRG-CYBMUJFWSA-N 0 0 282.387 3.699 10 0 CHAERN COc1cc2[nH]c3c(ccnc3C)c2cc1Br ZINC000006520691 170209429 /nfs/dbraw/zinc/20/94/29/170209429.db2.gz YRYJSDPQWKIQRL-UHFFFAOYSA-N 0 0 291.148 3.796 10 0 in-vitro CHAERN Cc1cccc2c1SN(Cc1ccccc1)[S@@]2=O ZINC000006523184 170209641 /nfs/dbraw/zinc/20/96/41/170209641.db2.gz QVKKVXISEUAWME-SFHVURJKSA-N 0 0 275.398 3.541 10 0 CHAERN Cc1cc(C)c(NC(=S)NC(=O)C2CCCC2)c(C)c1 ZINC000006572168 170214964 /nfs/dbraw/zinc/21/49/64/170214964.db2.gz ANHFWCQLZRJJQA-UHFFFAOYSA-N 0 0 290.432 3.615 10 0 CHAERN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccccc1F)C2 ZINC000006591196 170217354 /nfs/dbraw/zinc/21/73/54/170217354.db2.gz CTXUALZXGWJBPY-SJKOYZFVSA-N 0 0 275.367 3.867 10 0 CHAERN Nc1cccc(Cc2nc3cc(Cl)ccc3o2)c1 ZINC000006688044 170226163 /nfs/dbraw/zinc/22/61/63/170226163.db2.gz VNCQAMQWBDODBL-UHFFFAOYSA-N 0 0 258.708 3.654 10 0 CHAERN CC[C@@H](Oc1ccccc1)C(=O)N(CC)c1ccccc1 ZINC000006791343 170244311 /nfs/dbraw/zinc/24/43/11/170244311.db2.gz ASPAIAIIFAABLI-QGZVFWFLSA-N 0 0 283.371 3.897 10 0 CHAERN C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000007184891 170270432 /nfs/dbraw/zinc/27/04/32/170270432.db2.gz GIAFKCWVACEGIL-VIFPVBQESA-N 0 0 295.169 3.879 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NC2CCCCC2)cc1C ZINC000007222978 170272932 /nfs/dbraw/zinc/27/29/32/170272932.db2.gz LBTBDBCQPBNHHI-CQSZACIVSA-N 0 0 274.408 3.553 10 0 CHAERN Cc1cccc(/C=C/C(=O)NCc2ccccc2Cl)c1 ZINC000008034497 170315206 /nfs/dbraw/zinc/31/52/06/170315206.db2.gz JMYKXLFBDWAAHK-MDZDMXLPSA-N 0 0 285.774 3.978 10 0 CHAERN Cc1cccc(C)c1O[C@@H](C)C(=O)NC1CCCCC1 ZINC000008163061 170322104 /nfs/dbraw/zinc/32/21/04/170322104.db2.gz GVOVCJIVGDKNKK-AWEZNQCLSA-N 0 0 275.392 3.520 10 0 CHAERN COC(=O)c1ccc(COc2ccc3c(c2)CCCC3)o1 ZINC000008205759 170324358 /nfs/dbraw/zinc/32/43/58/170324358.db2.gz PUVJYPZKCYHKKL-UHFFFAOYSA-N 0 0 286.327 3.524 10 0 CHAERN CC[C@@H](C)c1ccccc1C(=O)NCc1ccco1 ZINC000008215109 170324862 /nfs/dbraw/zinc/32/48/62/170324862.db2.gz KXDKBWGMNPTMKW-GFCCVEGCSA-N 0 0 257.333 3.723 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)NC1CCCCC1 ZINC000008548378 170339491 /nfs/dbraw/zinc/33/94/91/170339491.db2.gz YAFCFZNIXKAFOK-UHFFFAOYSA-N 0 0 286.350 3.745 10 0 CHAERN Cc1cc(C(=O)N2CCCCCC2)c2cc(F)ccc2n1 ZINC000008548937 170339550 /nfs/dbraw/zinc/33/95/50/170339550.db2.gz AXPWHVIPIWAOAQ-UHFFFAOYSA-N 0 0 286.350 3.699 10 0 CHAERN Cc1cc(C(=O)N(C)c2ccccc2)c2cc(F)ccc2n1 ZINC000008548933 170339586 /nfs/dbraw/zinc/33/95/86/170339586.db2.gz KVEXCLOIDHSUKP-UHFFFAOYSA-N 0 0 294.329 3.959 10 0 CHAERN CCOC(=O)c1cnc(C(C)C)nc1-c1ccccc1F ZINC000008700212 170346693 /nfs/dbraw/zinc/34/66/93/170346693.db2.gz PDFSXPNZAWGCHQ-UHFFFAOYSA-N 0 0 288.322 3.583 10 0 CHAERN Cc1ccc(OCCOc2cccc(C=O)c2)c(C)c1 ZINC000009237484 170367910 /nfs/dbraw/zinc/36/79/10/170367910.db2.gz UKDHYHXIILCBPD-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN Nc1ncnc2nc(-c3ccco3)cc(-c3ccccc3)c12 ZINC000009694598 170384464 /nfs/dbraw/zinc/38/44/64/170384464.db2.gz WUQWMMJTXKVESB-UHFFFAOYSA-N 0 0 288.310 3.534 10 0 CHAERN CC(C)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000009695535 170384523 /nfs/dbraw/zinc/38/45/23/170384523.db2.gz DHKBUJRTPNQRGH-UHFFFAOYSA-N 0 0 265.312 3.611 10 0 CHAERN CCC[C@H]1CNc2ccc(Br)cc2C1 ZINC000011633386 170429590 /nfs/dbraw/zinc/42/95/90/170429590.db2.gz QCNBSNZJACPEQC-SECBINFHSA-N 0 0 254.171 3.833 10 0 CHAERN OC[C@@H](Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000011734718 170436673 /nfs/dbraw/zinc/43/66/73/170436673.db2.gz IIBAASVCZCHJGV-CYBMUJFWSA-N 0 0 264.727 3.798 10 0 CHAERN CCCc1cc(O)ccc1-c1noc2cc(O)ccc21 ZINC000013583547 170565545 /nfs/dbraw/zinc/56/55/45/170565545.db2.gz AYOBFLPNDIGWDB-UHFFFAOYSA-N 0 0 269.300 3.859 10 0 CHAERN CC(C)COc1ccccc1-c1nc2cccnc2[nH]1 ZINC000013827109 170601306 /nfs/dbraw/zinc/60/13/06/170601306.db2.gz BYEVPPDTPJVEAI-UHFFFAOYSA-N 0 0 267.332 3.660 10 0 CHAERN O=C(CSc1ccccc1Br)C(F)(F)F ZINC000013859397 170604845 /nfs/dbraw/zinc/60/48/45/170604845.db2.gz RIXAICHRXGTLNY-UHFFFAOYSA-N 0 0 299.111 3.673 10 0 CHAERN CCCOc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000014779714 170645333 /nfs/dbraw/zinc/64/53/33/170645333.db2.gz NIVIWSFTTJAVBR-UHFFFAOYSA-N 0 0 298.338 3.897 10 0 CHAERN Cc1cccc(/C=C/C(=O)N2CCc3ccccc3C2)c1 ZINC000015339081 170663579 /nfs/dbraw/zinc/66/35/79/170663579.db2.gz YXGHHYYDEBNNQV-MDZDMXLPSA-N 0 0 277.367 3.593 10 0 CHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2N1 ZINC000019489150 170814401 /nfs/dbraw/zinc/81/44/01/170814401.db2.gz BHMUWEMQVCXQRZ-ABAIWWIYSA-N 0 0 284.334 3.752 10 0 CHAERN Cc1cc(OCc2ccc(Br)s2)ccc1N ZINC000019504554 170816904 /nfs/dbraw/zinc/81/69/04/170816904.db2.gz NWJPRMHLMUCSKR-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN CC(=O)c1cccc(NC(=O)C(C)=Cc2ccccc2)c1 ZINC000019814356 170880417 /nfs/dbraw/zinc/88/04/17/170880417.db2.gz IMAAYDPFQIEBCP-ACCUITESSA-N 0 0 279.339 3.931 10 0 CHAERN Cc1cc(NC(=O)c2ccccc2O)c2ccccc2n1 ZINC000019838333 170886763 /nfs/dbraw/zinc/88/67/63/170886763.db2.gz BZPRCWLBTMZMIV-UHFFFAOYSA-N 0 0 278.311 3.501 10 0 CHAERN Cc1c(N)cccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000019845960 170894389 /nfs/dbraw/zinc/89/43/89/170894389.db2.gz XQSQXTJUGABDQZ-GFCCVEGCSA-N 0 0 286.400 3.697 10 0 CHAERN CC(=O)c1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000019871758 170902336 /nfs/dbraw/zinc/90/23/36/170902336.db2.gz JVRNMSKCMXSFDP-UHFFFAOYSA-N 0 0 268.341 3.917 10 0 CHAERN Nc1ccc2c(c1)N(C(=O)CCC1CCCCC1)CC2 ZINC000019874784 170904164 /nfs/dbraw/zinc/90/41/64/170904164.db2.gz YYWCYGZNZGKWAH-UHFFFAOYSA-N 0 0 272.392 3.518 10 0 CHAERN COc1ccc(OC)c(N[C@H]2CCc3ccccc32)c1 ZINC000019910612 170921621 /nfs/dbraw/zinc/92/16/21/170921621.db2.gz JGMQPWGIONHZDB-HNNXBMFYSA-N 0 0 269.344 3.803 10 0 CHAERN NC(=O)c1ccc(N[C@H]2CCCCc3ccccc32)cc1 ZINC000019911302 170921902 /nfs/dbraw/zinc/92/19/02/170921902.db2.gz JLXTXSMBWXZTIA-KRWDZBQOSA-N 0 0 280.371 3.665 10 0 CHAERN CC(C)C[C@H](Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000019911513 170922005 /nfs/dbraw/zinc/92/20/05/170922005.db2.gz RSEOZJCFIICREC-KRWDZBQOSA-N 0 0 282.387 3.985 10 0 CHAERN C[C@H]1C[C@H](Nc2ccc(S(C)(=O)=O)cc2)CC(C)(C)C1 ZINC000019917626 170926214 /nfs/dbraw/zinc/92/62/14/170926214.db2.gz CGWPOBIJBAJKOG-JSGCOSHPSA-N 0 0 295.448 3.717 10 0 CHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1ccc(Cl)cc1 ZINC000019921241 170928832 /nfs/dbraw/zinc/92/88/32/170928832.db2.gz XWWYMXFSTWQLPM-ZDUSSCGKSA-N 0 0 261.708 3.591 10 0 CHAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc2c(c1)OCCO2 ZINC000019961924 170943860 /nfs/dbraw/zinc/94/38/60/170943860.db2.gz BWSIICLBYTYFCK-JTQLQIEISA-N 0 0 291.297 3.909 10 0 CHAERN Cc1ccccc1N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019965030 170946243 /nfs/dbraw/zinc/94/62/43/170946243.db2.gz HVZPQEZPIMWBCD-ZDUSSCGKSA-N 0 0 269.344 3.939 10 0 CHAERN CC[C@@H](Nc1ccc(OC)nc1)c1ccc(C)cc1 ZINC000019990717 170962301 /nfs/dbraw/zinc/96/23/01/170962301.db2.gz NPMQRCBPUWIGQM-OAHLLOKOSA-N 0 0 256.349 3.962 10 0 CHAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(C)s2)c1 ZINC000020124730 171007142 /nfs/dbraw/zinc/00/71/42/171007142.db2.gz HMIJOPVCKRFBLH-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN Nc1cc(F)ccc1NCc1ccc(Cl)cc1 ZINC000020135474 171023083 /nfs/dbraw/zinc/02/30/83/171023083.db2.gz NPJHGRXIUSBHEO-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Nc1cc(F)ccc1NCCc1c[nH]c2ccccc12 ZINC000020135518 171023106 /nfs/dbraw/zinc/02/31/06/171023106.db2.gz BAXHIZZFZSUHPY-UHFFFAOYSA-N 0 0 269.323 3.544 10 0 CHAERN Nc1ccc(NCc2ccc(Cl)cc2)c(F)c1 ZINC000020135617 171023232 /nfs/dbraw/zinc/02/32/32/171023232.db2.gz UJIUZPBNPPSMMU-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN C[C@@H](NCc1nc2ccccc2s1)c1ccncc1 ZINC000020136134 171024151 /nfs/dbraw/zinc/02/41/51/171024151.db2.gz FQNIAFALSZWXGX-LLVKDONJSA-N 0 0 269.373 3.542 10 0 CHAERN Cc1ccc(CNc2ccc(-c3nnco3)cc2)s1 ZINC000020187061 171051622 /nfs/dbraw/zinc/05/16/22/171051622.db2.gz WBTQVPMBEGPNLU-UHFFFAOYSA-N 0 0 271.345 3.719 10 0 CHAERN CCN(Cc1cccc(N)c1C)c1cccc(C)c1 ZINC000020192635 171058720 /nfs/dbraw/zinc/05/87/20/171058720.db2.gz FBYQOJWZLHEWAT-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN CCN(Cc1ccc(C)c(N)c1)c1cccc(C)c1 ZINC000020192684 171058827 /nfs/dbraw/zinc/05/88/27/171058827.db2.gz SVRPOBPWVAWAMM-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H](C)C(=O)NC1CCCC1 ZINC000020301002 171139122 /nfs/dbraw/zinc/13/91/22/171139122.db2.gz UQCKJCSWHQWHGI-NSHDSACASA-N 0 0 280.799 3.508 10 0 CHAERN N=C1c2ccccc2CN1c1cccc(Cl)c1F ZINC000020303842 171140188 /nfs/dbraw/zinc/14/01/88/171140188.db2.gz VTIPEYPWSZZEDA-UHFFFAOYSA-N 0 0 260.699 3.825 10 0 CHAERN CC(C)CNC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020313165 171144931 /nfs/dbraw/zinc/14/49/31/171144931.db2.gz IDDWLNNXDSUPEP-VIFPVBQESA-N 0 0 289.206 3.566 10 0 CHAERN Nc1cccc(-c2csc(NC(=O)c3ccccc3)n2)c1 ZINC000020336179 171152444 /nfs/dbraw/zinc/15/24/44/171152444.db2.gz HIHIEQQLHFYACG-UHFFFAOYSA-N 0 0 295.367 3.645 10 0 CHAERN CCc1ccc(NC(=O)CCc2ccc(C)cc2)cc1N ZINC000020344870 171154062 /nfs/dbraw/zinc/15/40/62/171154062.db2.gz SQOIJMCXPLLPSU-UHFFFAOYSA-N 0 0 282.387 3.711 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000020364610 171163181 /nfs/dbraw/zinc/16/31/81/171163181.db2.gz VZDPBMOCWAXCDA-CYBMUJFWSA-N 0 0 262.397 3.527 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366394 171165227 /nfs/dbraw/zinc/16/52/27/171165227.db2.gz YYMQLPFZKGDNHG-IUCAKERBSA-N 0 0 289.206 3.709 10 0 CHAERN CCCN(CCC)c1ccc(NC(=O)c2ccco2)cn1 ZINC000020371989 171168144 /nfs/dbraw/zinc/16/81/44/171168144.db2.gz IZRVFZYJWBENNJ-UHFFFAOYSA-N 0 0 287.363 3.553 10 0 CHAERN Nc1cc(Cl)ccc1NCCc1cccs1 ZINC000020383878 171173886 /nfs/dbraw/zinc/17/38/86/171173886.db2.gz XYDBJZWMLOZVTD-UHFFFAOYSA-N 0 0 252.770 3.638 10 0 CHAERN Cc1ccc2oc([C@@H](N)c3ccc(F)cc3)cc2c1 ZINC000020389375 171178396 /nfs/dbraw/zinc/17/83/96/171178396.db2.gz MPKKTKPMPLXTKG-INIZCTEOSA-N 0 0 255.292 3.928 10 0 CHAERN CCc1nnc(SCC(C)C)n1-c1ccccc1 ZINC000020427519 171193583 /nfs/dbraw/zinc/19/35/83/171193583.db2.gz WSADRVOFJUQINW-UHFFFAOYSA-N 0 0 261.394 3.578 10 0 CHAERN Oc1ccc(CNc2ccc(F)cc2Br)cc1 ZINC000020430646 171195486 /nfs/dbraw/zinc/19/54/86/171195486.db2.gz SZIIKASNAGXBPY-UHFFFAOYSA-N 0 0 296.139 3.906 10 0 CHAERN Nc1ccc(O[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020474939 171218944 /nfs/dbraw/zinc/21/89/44/171218944.db2.gz AOAVPEGBWWWPLP-OAHLLOKOSA-N 0 0 257.308 3.864 10 0 CHAERN Nc1ccc(Sc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000020474979 171219032 /nfs/dbraw/zinc/21/90/32/171219032.db2.gz CCJCMBAJDCNMDV-UHFFFAOYSA-N 0 0 288.269 3.973 10 0 CHAERN C[C@H]1C[C@@H](Oc2cncc(Cl)n2)CC(C)(C)C1 ZINC000020513847 171231693 /nfs/dbraw/zinc/23/16/93/171231693.db2.gz NOXYMKZFFKBIFN-VHSXEESVSA-N 0 0 254.761 3.724 10 0 CHAERN CC(C)c1noc(-c2cc3ccccc3cc2N)n1 ZINC000020552884 171248250 /nfs/dbraw/zinc/24/82/50/171248250.db2.gz YGPJYBLRRDBMPY-UHFFFAOYSA-N 0 0 253.305 3.595 10 0 CHAERN Cc1cnn([C@H](C)c2cc(Cl)ccc2Cl)c1N ZINC000020579004 171256749 /nfs/dbraw/zinc/25/67/49/171256749.db2.gz KDTCORJHNGMOFQ-MRVPVSSYSA-N 0 0 270.163 3.690 10 0 CHAERN Cc1ccc(Cl)cc1NC1N=NC(=S)S1 ZINC000020581845 171257608 /nfs/dbraw/zinc/25/76/08/171257608.db2.gz JYQQZEQZBRJVJS-UHFFFAOYSA-N 0 0 257.771 3.532 10 0 CHAERN COc1ccc(C)cc1[C@@H](N)c1cc2ccccc2o1 ZINC000020592730 171262176 /nfs/dbraw/zinc/26/21/76/171262176.db2.gz XUWFZTPPURIFCB-QGZVFWFLSA-N 0 0 267.328 3.798 10 0 CHAERN Cc1ccc(O)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 ZINC000021001234 171284478 /nfs/dbraw/zinc/28/44/78/171284478.db2.gz AWIGLZDXMVDWBN-AWEZNQCLSA-N 0 0 299.370 3.723 10 0 CHAERN COc1ccc(CSc2cccs2)cc1N ZINC000021501363 171305402 /nfs/dbraw/zinc/30/54/02/171305402.db2.gz FZIQCTJUUCRIQH-UHFFFAOYSA-N 0 0 251.376 3.631 10 0 CHAERN COC(=O)c1c(N)scc1-c1cc2ccccc2o1 ZINC000021511312 171310359 /nfs/dbraw/zinc/31/03/59/171310359.db2.gz VKVQTZAAXNEPRZ-UHFFFAOYSA-N 0 0 273.313 3.530 10 0 CHAERN Cc1ccccc1CNC(=O)c1ncoc1-c1cccs1 ZINC000021641972 171317775 /nfs/dbraw/zinc/31/77/75/171317775.db2.gz HBKSRSKLYPVMPY-UHFFFAOYSA-N 0 0 298.367 3.642 10 0 CHAERN COc1cc(N[C@H](C)CCC(C)C)cc(OC)c1 ZINC000021805765 171327377 /nfs/dbraw/zinc/32/73/77/171327377.db2.gz WMKUBKIPEODDHD-GFCCVEGCSA-N 0 0 251.370 3.940 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)c1 ZINC000021957243 171342031 /nfs/dbraw/zinc/34/20/31/171342031.db2.gz HKZILMHFFCJJSY-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Nc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1 ZINC000021966863 171343885 /nfs/dbraw/zinc/34/38/85/171343885.db2.gz OGDQFYALGMGHTM-UHFFFAOYSA-N 0 0 261.712 3.566 10 0 CHAERN CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1 ZINC000021998705 171347895 /nfs/dbraw/zinc/34/78/95/171347895.db2.gz ZDZXUEVJHMDOAT-IBGZPJMESA-N 0 0 290.366 3.662 10 0 CHAERN Cc1cc2c(Br)c3ccccc3n2cn1 ZINC000022003688 171348097 /nfs/dbraw/zinc/34/80/97/171348097.db2.gz TYPFGYNMOFJGAA-UHFFFAOYSA-N 0 0 261.122 3.558 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(F)cc1Cl ZINC000022147762 171357120 /nfs/dbraw/zinc/35/71/20/171357120.db2.gz KYRIGKDNYDPKDZ-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2nc3ccc(N)cc3s2)c1 ZINC000022169293 171367167 /nfs/dbraw/zinc/36/71/67/171367167.db2.gz XQEAPRYSGNDYHB-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN Nc1ccc(NC(=O)c2ccc3ccccc3n2)c(Cl)c1 ZINC000022176677 171370795 /nfs/dbraw/zinc/37/07/95/171370795.db2.gz CLOKJRGJLBNRSL-UHFFFAOYSA-N 0 0 297.745 3.723 10 0 CHAERN Cc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)no1 ZINC000027325008 171513599 /nfs/dbraw/zinc/51/35/99/171513599.db2.gz HTONKIPMZGTSHW-GFCCVEGCSA-N 0 0 280.327 3.627 10 0 CHAERN COc1ccc2c(c1)[nH]c(-c1ccc(C)cc1)c2C=O ZINC000028651240 171569578 /nfs/dbraw/zinc/56/95/78/171569578.db2.gz GPCUYMJZSMCQSJ-UHFFFAOYSA-N 0 0 265.312 3.964 10 0 CHAERN CCOC(=O)c1cc2ccc(Cl)c(C)c2nc1C ZINC000032099612 171696750 /nfs/dbraw/zinc/69/67/50/171696750.db2.gz QEESKEUCWPHTNB-UHFFFAOYSA-N 0 0 263.724 3.682 10 0 CHAERN Cc1ccccc1OCCSc1ccc(N)cc1 ZINC000032111184 171703900 /nfs/dbraw/zinc/70/39/00/171703900.db2.gz FCMTUCVKGHROMJ-UHFFFAOYSA-N 0 0 259.374 3.748 10 0 CHAERN Cc1ccc(N)c(OCc2c(F)cccc2Cl)c1 ZINC000032114289 171707681 /nfs/dbraw/zinc/70/76/81/171707681.db2.gz QKXMJIIISULORD-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1ccc(NC(=O)[C@H](C)Nc2ccccc2F)cc1 ZINC000032119875 171711047 /nfs/dbraw/zinc/71/10/47/171711047.db2.gz KZFNIUXJEPHRFO-LBPRGKRZSA-N 0 0 272.323 3.573 10 0 CHAERN Clc1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000032266165 171722660 /nfs/dbraw/zinc/72/26/60/171722660.db2.gz GDXDXELDYZVNBJ-UHFFFAOYSA-N 0 0 256.736 3.954 10 0 CHAERN CCOc1ccccc1NC(=O)OCc1ccccc1 ZINC000033566739 171813791 /nfs/dbraw/zinc/81/37/91/171813791.db2.gz NBUCQGSQTXEYCL-UHFFFAOYSA-N 0 0 271.316 3.834 10 0 CHAERN COC(=O)c1[nH]c2ccc(F)cc2c1-c1ccc(F)cc1 ZINC000034220829 171834884 /nfs/dbraw/zinc/83/48/84/171834884.db2.gz WAHQHKCLSPEDNU-UHFFFAOYSA-N 0 0 287.265 3.900 10 0 CHAERN COc1ccc(C(=O)Cc2nc3ccccc3s2)cc1 ZINC000034332806 171837246 /nfs/dbraw/zinc/83/72/46/171837246.db2.gz UYBNXPPUWGNXGQ-UHFFFAOYSA-N 0 0 283.352 3.730 10 0 CHAERN COc1ccccc1C(=O)Cc1nc2ccccc2s1 ZINC000034940283 171899611 /nfs/dbraw/zinc/89/96/11/171899611.db2.gz DYNALLRHZCBMQJ-UHFFFAOYSA-N 0 0 283.352 3.730 10 0 CHAERN COc1cccc(Nc2ncc(Br)s2)c1 ZINC000034987406 171914220 /nfs/dbraw/zinc/91/42/20/171914220.db2.gz WPUZELUDBSWHIE-UHFFFAOYSA-N 0 0 285.166 3.658 10 0 CHAERN C[C@H]1Cc2ccccc2N1CC(=O)c1c(F)cccc1F ZINC000035020249 171938577 /nfs/dbraw/zinc/93/85/77/171938577.db2.gz YNACZAJUTUTKBT-NSHDSACASA-N 0 0 287.309 3.599 10 0 CHAERN Cc1nc2cc(NC3CCCCC3)c(N)cc2s1 ZINC000035060323 171961898 /nfs/dbraw/zinc/96/18/98/171961898.db2.gz AAZVZFUEDRBLCF-UHFFFAOYSA-N 0 0 261.394 3.932 10 0 CHAERN CCCN(c1cc2nc(C)sc2cc1N)C1CC1 ZINC000035060374 171962018 /nfs/dbraw/zinc/96/20/18/171962018.db2.gz QZKKJZNGMQVHIG-UHFFFAOYSA-N 0 0 261.394 3.566 10 0 CHAERN COC(=O)[C@@H](C)CSc1ccc2ccccc2c1 ZINC000035138084 172005321 /nfs/dbraw/zinc/00/53/21/172005321.db2.gz JCCBBWIMKKEDRG-NSHDSACASA-N 0 0 260.358 3.741 10 0 CHAERN Clc1ccc(NC[C@@H]2CCCCO2)cc1Cl ZINC000035150714 172013389 /nfs/dbraw/zinc/01/33/89/172013389.db2.gz NCCBXNAYOHFJJU-JTQLQIEISA-N 0 0 260.164 3.974 10 0 CHAERN Cc1ccc(OCC(=O)c2cc(C)ccc2C)cc1 ZINC000035183639 172036532 /nfs/dbraw/zinc/03/65/32/172036532.db2.gz DJISOGAOBLNGLP-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN CCOc1ccc(C(=O)COc2ccc(C)cc2)cc1 ZINC000035183630 172036820 /nfs/dbraw/zinc/03/68/20/172036820.db2.gz CHCQGSOWMATKDF-UHFFFAOYSA-N 0 0 270.328 3.655 10 0 CHAERN Cc1ccc(C(=O)COc2ccc(F)cc2)cc1C ZINC000035183875 172037441 /nfs/dbraw/zinc/03/74/41/172037441.db2.gz IENHIELKOLNZEX-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN O=C(COc1ccccc1)c1cc2ccccc2o1 ZINC000035183923 172037591 /nfs/dbraw/zinc/03/75/91/172037591.db2.gz QTOAEGHHDNBAFP-UHFFFAOYSA-N 0 0 252.269 3.695 10 0 CHAERN C[C@H](Oc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000035183896 172037598 /nfs/dbraw/zinc/03/75/98/172037598.db2.gz TUGYHDMFYQEJAH-NSHDSACASA-N 0 0 260.720 3.990 10 0 CHAERN COc1ccc(OCC(=O)c2ccc(Cl)s2)cc1 ZINC000035184204 172037920 /nfs/dbraw/zinc/03/79/20/172037920.db2.gz MNHNTIYGQLFNHB-UHFFFAOYSA-N 0 0 282.748 3.672 10 0 CHAERN CCc1ccc(C(=O)COc2ccc(OC)cc2)cc1 ZINC000035184163 172038158 /nfs/dbraw/zinc/03/81/58/172038158.db2.gz CJKKLZFCTUTWOB-UHFFFAOYSA-N 0 0 270.328 3.519 10 0 CHAERN Cc1cccc(OCC(=O)c2ccccc2F)c1C ZINC000035184367 172038294 /nfs/dbraw/zinc/03/82/94/172038294.db2.gz DRSATZUVFJMPHC-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000035185111 172039014 /nfs/dbraw/zinc/03/90/14/172039014.db2.gz BPVIXHOHDZLKQN-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 ZINC000035188754 172043038 /nfs/dbraw/zinc/04/30/38/172043038.db2.gz PAEXDRKPCPZDHB-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@H](O)c1ccc(OCc2cccc3cccnc32)cc1 ZINC000035199414 172044667 /nfs/dbraw/zinc/04/46/67/172044667.db2.gz MRBZRBVIJDEHTL-ZDUSSCGKSA-N 0 0 279.339 3.867 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)c(C)c1 ZINC000035199496 172044709 /nfs/dbraw/zinc/04/47/09/172044709.db2.gz RBNFETUMPGIORA-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1ccc(C(=O)Nc2ccccc2[C@H](C)O)c(C)c1 ZINC000035199597 172044903 /nfs/dbraw/zinc/04/49/03/172044903.db2.gz OITKZJGAZRJJKJ-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2ccccc2[C@H](C)O)c1 ZINC000035199570 172044968 /nfs/dbraw/zinc/04/49/68/172044968.db2.gz QWQUOUBAVGVKEC-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1cc(C)cc(-n2c(=O)c3ccsc3[nH]c2=S)c1 ZINC000035206639 172051378 /nfs/dbraw/zinc/05/13/78/172051378.db2.gz VZGYFCKNYBYLPT-UHFFFAOYSA-N 0 0 288.397 3.727 10 0 CHAERN COC(=O)c1occc1CN[C@@H](C)c1cc(C)ccc1C ZINC000035223059 172066885 /nfs/dbraw/zinc/06/68/85/172066885.db2.gz PDBDKXZWJCLAED-ZDUSSCGKSA-N 0 0 287.359 3.534 10 0 CHAERN Oc1ccc(CNc2cc(Cl)ccc2F)cc1 ZINC000035284489 172102843 /nfs/dbraw/zinc/10/28/43/172102843.db2.gz QLFKHTFNPVPAOZ-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Cc1nc2cc(N(C)Cc3ccccc3)c(N)cc2s1 ZINC000035342399 172134618 /nfs/dbraw/zinc/13/46/18/172134618.db2.gz RCHVDAOAPRQLAE-UHFFFAOYSA-N 0 0 283.400 3.823 10 0 CHAERN Nc1ccc2nc(N3CCCCCCC3)ccc2c1 ZINC000035343229 172135385 /nfs/dbraw/zinc/13/53/85/172135385.db2.gz PIZVVYAWIZNKFB-UHFFFAOYSA-N 0 0 255.365 3.588 10 0 CHAERN COc1cc(Cl)c(C(=O)c2cccs2)cc1OC ZINC000035369600 172161477 /nfs/dbraw/zinc/16/14/77/172161477.db2.gz RLXCISRRWUBOOK-UHFFFAOYSA-N 0 0 282.748 3.650 10 0 CHAERN COc1ccc(C(=O)Cc2ccccc2Cl)cc1F ZINC000035423938 172192337 /nfs/dbraw/zinc/19/23/37/172192337.db2.gz WJBXQPADPJOHDP-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN COc1ccc(C(=O)c2cc(Cl)ccc2F)cc1F ZINC000035423917 172192886 /nfs/dbraw/zinc/19/28/86/172192886.db2.gz KYBKRLGWIYPOSB-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN COc1ccc(C(=O)c2ccc(C)cc2C)cc1F ZINC000035424010 172192977 /nfs/dbraw/zinc/19/29/77/172192977.db2.gz SWQTUORPPUJTSJ-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN CCN[C@@H](c1ccc(F)cc1)C(F)(F)C(F)(F)F ZINC000035539700 172245338 /nfs/dbraw/zinc/24/53/38/172245338.db2.gz SMUDOAVGTJPIFI-VIFPVBQESA-N 0 0 271.204 3.674 10 0 CHAERN CCN[C@H](c1ccc(F)cc1)C(F)(F)C(F)(F)F ZINC000035539701 172245631 /nfs/dbraw/zinc/24/56/31/172245631.db2.gz SMUDOAVGTJPIFI-SECBINFHSA-N 0 0 271.204 3.674 10 0 CHAERN CCN[C@H](c1ccc(C)o1)c1cc(F)ccc1F ZINC000035543380 172250977 /nfs/dbraw/zinc/25/09/77/172250977.db2.gz GOLGVMJROFYRJS-AWEZNQCLSA-N 0 0 251.276 3.565 10 0 CHAERN CCN[C@H](c1ccccc1F)c1cc(F)ccc1F ZINC000035543686 172251522 /nfs/dbraw/zinc/25/15/22/172251522.db2.gz AQQJSMFLULBKDL-OAHLLOKOSA-N 0 0 265.278 3.803 10 0 CHAERN CCCN[C@H](c1ccc(F)c(F)c1)C(F)(F)F ZINC000035582379 172280319 /nfs/dbraw/zinc/28/03/19/172280319.db2.gz RFTDUVQVACFJQV-SNVBAGLBSA-N 0 0 253.214 3.568 10 0 CHAERN C[C@H](O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000035627112 172306249 /nfs/dbraw/zinc/30/62/49/172306249.db2.gz PSPPHYCDKGFHDM-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@@H](O)c1ccc2ccccc2c1OCc1ccncc1 ZINC000035628030 172306925 /nfs/dbraw/zinc/30/69/25/172306925.db2.gz MZTBVJMVCWIHSE-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN Cc1ccc(OCc2ccccc2F)c([C@H](C)O)c1 ZINC000035630373 172311521 /nfs/dbraw/zinc/31/15/21/172311521.db2.gz YWFKPEVDDIWZEJ-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN COc1cc(C)ccc1Oc1ccc([C@@H](C)O)cc1 ZINC000035631872 172313857 /nfs/dbraw/zinc/31/38/57/172313857.db2.gz FKWGMJARMOCFCZ-GFCCVEGCSA-N 0 0 258.317 3.849 10 0 CHAERN Cc1nc2c(cc(OCCCO)c3ccsc32)s1 ZINC000035650201 172325982 /nfs/dbraw/zinc/32/59/82/172325982.db2.gz NWJXURZOBSHJQU-UHFFFAOYSA-N 0 0 279.386 3.581 10 0 CHAERN Cc1ccc(CN(C)c2ccccc2[C@H](C)O)cc1 ZINC000035650508 172326620 /nfs/dbraw/zinc/32/66/20/172326620.db2.gz LXOAIFHFHFLHRK-AWEZNQCLSA-N 0 0 255.361 3.685 10 0 CHAERN CCN(Cc1ccccc1)c1ccccc1[C@H](C)O ZINC000035650522 172326717 /nfs/dbraw/zinc/32/67/17/172326717.db2.gz QPWIGWUNLWOQTK-AWEZNQCLSA-N 0 0 255.361 3.766 10 0 CHAERN Cc1cc2ncn(-c3ccccc3[C@H](C)O)c2cc1C ZINC000035650576 172327079 /nfs/dbraw/zinc/32/70/79/172327079.db2.gz WQJYBPKHISCRHG-ZDUSSCGKSA-N 0 0 266.344 3.696 10 0 CHAERN CC1=Nn2c(nnc2C(F)F)S/C1=C/c1cccs1 ZINC000035657489 172332157 /nfs/dbraw/zinc/33/21/57/172332157.db2.gz BMUDPEMNZMQXHU-VMPITWQZSA-N 0 0 298.343 3.648 10 0 CHAERN Nc1ccc(Nc2cccc(Cl)c2Cl)c2nonc21 ZINC000035675611 172345965 /nfs/dbraw/zinc/34/59/65/172345965.db2.gz WCTGYKXPZQPTFR-UHFFFAOYSA-N 0 0 295.129 3.855 10 0 CHAERN CN(Cc1ccsc1)c1cccc(Cl)c1CO ZINC000035719531 172374118 /nfs/dbraw/zinc/37/41/18/172374118.db2.gz HMDVPXFDMGCEFL-UHFFFAOYSA-N 0 0 267.781 3.530 10 0 CHAERN CCS(=O)(=O)c1ccccc1N[C@@H](C)c1cccs1 ZINC000035737138 172390508 /nfs/dbraw/zinc/39/05/08/172390508.db2.gz YMFIHGGWFNLAPA-NSHDSACASA-N 0 0 295.429 3.715 10 0 CHAERN C[C@@H]1CC(=O)c2cccc(Br)c2S1 ZINC000035741341 172394742 /nfs/dbraw/zinc/39/47/42/172394742.db2.gz MSUBBQCNZFYPBC-ZCFIWIBFSA-N 0 0 257.152 3.516 10 0 CHAERN COC(=O)C[C@@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000035748719 172396263 /nfs/dbraw/zinc/39/62/63/172396263.db2.gz FYQGCUIKOYBMBU-SSDOTTSWSA-N 0 0 295.688 3.722 10 0 CHAERN Cc1cc(Br)c2ccc(F)c(F)c2n1 ZINC000036075630 172431408 /nfs/dbraw/zinc/43/14/08/172431408.db2.gz NLJOYMXNGYMCPD-UHFFFAOYSA-N 0 0 258.065 3.584 10 0 CHAERN Cc1n[nH]c(C)c1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000036165199 172481774 /nfs/dbraw/zinc/48/17/74/172481774.db2.gz RMYYDBOZPBZPBY-UHFFFAOYSA-N 0 0 271.364 3.576 10 0 CHAERN CCCCCNC(=O)c1cc2ccc(F)cc2nc1Cl ZINC000036175294 172495613 /nfs/dbraw/zinc/49/56/13/172495613.db2.gz SGHHCVZAXLQHFS-UHFFFAOYSA-N 0 0 294.757 3.947 10 0 CHAERN CCc1ccc(CN(C)c2ccc(C)cc2N)cc1 ZINC000036197363 172509355 /nfs/dbraw/zinc/50/93/55/172509355.db2.gz NENFKYUPJAQOJN-UHFFFAOYSA-N 0 0 254.377 3.776 10 0 CHAERN Cc1cc(C)cc(Oc2ccc(C(N)=S)cc2F)c1 ZINC000036887550 172783169 /nfs/dbraw/zinc/78/31/69/172783169.db2.gz OJQWGSFCZBHTFR-UHFFFAOYSA-N 0 0 275.348 3.869 10 0 CHAERN O=C(c1c[nH]c2ncccc12)c1ccc(Cl)cc1F ZINC000036943786 172818633 /nfs/dbraw/zinc/81/86/33/172818633.db2.gz HDAXBPMQPSRKHR-UHFFFAOYSA-N 0 0 274.682 3.586 10 0 CHAERN COC(=O)c1ccc(CSc2ccc(Cl)cc2N)o1 ZINC000037037215 172904516 /nfs/dbraw/zinc/90/45/16/172904516.db2.gz IMLKOSQMBYTISI-UHFFFAOYSA-N 0 0 297.763 3.594 10 0 CHAERN Cc1ccc([C@H](C)Nc2cccc(NC(N)=O)c2)s1 ZINC000037135928 172976501 /nfs/dbraw/zinc/97/65/01/172976501.db2.gz ZHPBKAUDEUXPGK-JTQLQIEISA-N 0 0 275.377 3.720 10 0 CHAERN Cc1cccc2c1OCCC[C@@H]2Nc1cccnc1 ZINC000037187217 173017235 /nfs/dbraw/zinc/01/72/35/173017235.db2.gz GOAPPZHBNVUUAM-HNNXBMFYSA-N 0 0 254.333 3.716 10 0 CHAERN Nc1ccc(SCc2ccc(F)cc2)c(F)c1 ZINC000037194528 173024101 /nfs/dbraw/zinc/02/41/01/173024101.db2.gz ALKRGDVLMAAWBD-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN CC(C)(C)c1nnc(CSc2ccc(N)cc2Cl)o1 ZINC000037204499 173026480 /nfs/dbraw/zinc/02/64/80/173026480.db2.gz KMAXGLCHUKUSPQ-UHFFFAOYSA-N 0 0 297.811 3.895 10 0 CHAERN Nc1ccc(SC[C@H]2COC3(CCCC3)O2)c(Cl)c1 ZINC000037204528 173026810 /nfs/dbraw/zinc/02/68/10/173026810.db2.gz IPIJRWDHKWZGOR-LLVKDONJSA-N 0 0 299.823 3.700 10 0 CHAERN Cc1nc2sccn2c1CNc1cccc(C)c1C ZINC000037215602 173035033 /nfs/dbraw/zinc/03/50/33/173035033.db2.gz YEZZYSHXZWMWFM-UHFFFAOYSA-N 0 0 271.389 3.933 10 0 CHAERN Cc1nc2sccn2c1CNc1c(F)cccc1F ZINC000037247094 173060375 /nfs/dbraw/zinc/06/03/75/173060375.db2.gz NDFVHYRVLOILLS-UHFFFAOYSA-N 0 0 279.315 3.595 10 0 CHAERN CCCOc1ccccc1N[C@@H]1CCCC[C@@H]1OC ZINC000037278236 173088178 /nfs/dbraw/zinc/08/81/78/173088178.db2.gz USDQUDYCGYTYOQ-HIFRSBDPSA-N 0 0 263.381 3.845 10 0 CHAERN Nc1ccc(CSCc2ccco2)c2ncccc12 ZINC000037285836 173091636 /nfs/dbraw/zinc/09/16/36/173091636.db2.gz BNUXNIHUIDLTAJ-UHFFFAOYSA-N 0 0 270.357 3.843 10 0 CHAERN CCOC(=O)c1ccccc1N[C@@H]1CCCC[C@@H]1C ZINC000037308445 173111155 /nfs/dbraw/zinc/11/11/55/173111155.db2.gz CCKJIPZPCBXUAC-GXTWGEPZSA-N 0 0 261.365 3.854 10 0 CHAERN Cc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)c2cccnc12 ZINC000037312712 173114684 /nfs/dbraw/zinc/11/46/84/173114684.db2.gz MTLSVLHADGCFMD-DVOMOZLQSA-N 0 0 250.345 3.920 10 0 CHAERN CC[C@@H](C)CN(C)CC(=O)c1cc2ccccc2o1 ZINC000037337102 173137239 /nfs/dbraw/zinc/13/72/39/173137239.db2.gz XSQOMCDPKDUQGB-GFCCVEGCSA-N 0 0 259.349 3.593 10 0 CHAERN COc1cc(C(=O)c2cc(C)ccc2C)ccc1C ZINC000037353545 173146374 /nfs/dbraw/zinc/14/63/74/173146374.db2.gz AOZNNANTQVOYHX-UHFFFAOYSA-N 0 0 254.329 3.851 10 0 CHAERN Clc1nsnc1Nc1ccc(Br)cc1 ZINC000037372139 173162029 /nfs/dbraw/zinc/16/20/29/173162029.db2.gz AZVQBJRMBRJQIL-UHFFFAOYSA-N 0 0 290.573 3.698 10 0 CHAERN C[C@@H]1CCC[C@@H](Oc2ccc3ncccc3c2N)C1 ZINC000037378659 173167086 /nfs/dbraw/zinc/16/70/86/173167086.db2.gz RJUSUMQQHGPPTM-VXGBXAGGSA-N 0 0 256.349 3.775 10 0 CHAERN Cc1ccc(Sc2nc3ccccc3o2)c(N)c1 ZINC000037401704 173178150 /nfs/dbraw/zinc/17/81/50/173178150.db2.gz STVATDVUALVVQG-UHFFFAOYSA-N 0 0 256.330 3.870 10 0 CHAERN CCOc1cc2nc(C)cc(Cl)c2cc1OCC ZINC000037413021 173189502 /nfs/dbraw/zinc/18/95/02/173189502.db2.gz ZROYMGDKWNPXTA-UHFFFAOYSA-N 0 0 265.740 3.994 10 0 CHAERN CCN(CC(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000037414985 173191909 /nfs/dbraw/zinc/19/19/09/173191909.db2.gz DTGQOBYKVKLQGW-UHFFFAOYSA-N 0 0 274.191 3.906 10 0 CHAERN O=C([O-])CCC[NH2+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000037417937 173195550 /nfs/dbraw/zinc/19/55/50/173195550.db2.gz LJTDVRGCXRYNDL-CYBMUJFWSA-N 0 0 299.779 3.538 10 0 CHAERN COC(=O)c1ccc(C)c(NC[C@H]2CC=CCC2)c1 ZINC000037507922 173241818 /nfs/dbraw/zinc/24/18/18/173241818.db2.gz SNKMQOXBINWBIO-ZDUSSCGKSA-N 0 0 259.349 3.550 10 0 CHAERN O[C@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000037532698 173253680 /nfs/dbraw/zinc/25/36/80/173253680.db2.gz ROFNWVLAHNHWJZ-CQSZACIVSA-N 0 0 295.151 3.864 10 0 CHAERN COc1cccc([C@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532397 173253729 /nfs/dbraw/zinc/25/37/29/173253729.db2.gz HGUBSVQGKZTZPJ-QGZVFWFLSA-N 0 0 256.345 3.900 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000037532328 173253933 /nfs/dbraw/zinc/25/39/33/173253933.db2.gz JRASDMFWCYKUHX-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN OCc1nc2scc(-c3cccs3)c2c(Cl)n1 ZINC000037757050 173680620 /nfs/dbraw/zinc/68/06/20/173680620.db2.gz SYBHJFSWROVUNM-UHFFFAOYSA-N 0 0 282.777 3.566 10 0 CHAERN Oc1cccc(CNc2cccc(N3CCCC3)c2)c1 ZINC000037775016 173707012 /nfs/dbraw/zinc/70/70/12/173707012.db2.gz XZMKPTRXNDBFCI-UHFFFAOYSA-N 0 0 268.360 3.605 10 0 CHAERN CNC(=O)c1cc(N[C@H]2CCC[C@@H](C)C2)ccc1Cl ZINC000037778775 173709773 /nfs/dbraw/zinc/70/97/73/173709773.db2.gz QXJNNPFKUZLKSL-MNOVXSKESA-N 0 0 280.799 3.690 10 0 CHAERN C[C@](Nc1ccc(Cl)cc1)(C(N)=O)C1CCCCC1 ZINC000037945306 173886405 /nfs/dbraw/zinc/88/64/05/173886405.db2.gz CQNCPINBCLFJFU-OAHLLOKOSA-N 0 0 280.799 3.576 10 0 CHAERN COC(=O)[C@@]1(Nc2ccc(C)cc2)CCCC[C@@H]1C ZINC000037953339 173895428 /nfs/dbraw/zinc/89/54/28/173895428.db2.gz WFSWEUHVBOZKBH-XJKSGUPXSA-N 0 0 261.365 3.529 10 0 CHAERN CCOC(=O)C1(Nc2cccc(C)c2)CCCCC1 ZINC000037958257 173900442 /nfs/dbraw/zinc/90/04/42/173900442.db2.gz JXOKWCUZWBDLPZ-UHFFFAOYSA-N 0 0 261.365 3.673 10 0 CHAERN COC(=O)[C@](C)(NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000037970088 173918945 /nfs/dbraw/zinc/91/89/45/173918945.db2.gz BQLNUYWKCLWLAM-GOSISDBHSA-N 0 0 289.419 3.730 10 0 CHAERN CC(C)(C)C1CCC(C(=O)Nc2cccc(CO)c2)CC1 ZINC000037975062 173929169 /nfs/dbraw/zinc/92/91/69/173929169.db2.gz XFQIWMNLWWBCQA-UHFFFAOYSA-N 0 0 289.419 3.970 10 0 CHAERN COc1cc(F)c(C(=O)c2ccccc2Cl)c(F)c1 ZINC000037998951 173960880 /nfs/dbraw/zinc/96/08/80/173960880.db2.gz SHHMVSVTWJSFNY-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN Clc1ccc(Cl)c(CNCc2cn[nH]c2)c1Cl ZINC000038006330 173969067 /nfs/dbraw/zinc/96/90/67/173969067.db2.gz HEMQDAISRZOMCV-UHFFFAOYSA-N 0 0 290.581 3.660 10 0 CHAERN CCCn1c(CNc2cccc(O)c2)nc2ccccc21 ZINC000038046689 174055368 /nfs/dbraw/zinc/05/53/68/174055368.db2.gz OPGHRGOLQRROIJ-UHFFFAOYSA-N 0 0 281.359 3.764 10 0 CHAERN COc1ccc(-c2nccc(Cl)n2)cc1Br ZINC000038052455 174064275 /nfs/dbraw/zinc/06/42/75/174064275.db2.gz IUZAUSCKVPUKNS-UHFFFAOYSA-N 0 0 299.555 3.568 10 0 CHAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000038065995 174077477 /nfs/dbraw/zinc/07/74/77/174077477.db2.gz XXUNPHBZTWMLCH-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H](C)N[C@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066612 174077524 /nfs/dbraw/zinc/07/75/24/174077524.db2.gz VGNXQTOMYAPWHC-ABAIWWIYSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@H](C)N[C@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000038066821 174078167 /nfs/dbraw/zinc/07/81/67/174078167.db2.gz FDHVXTUHOQCVHV-UFBFGSQYSA-N 0 0 290.190 3.596 10 0 CHAERN COc1ccc(Cl)cc1-c1cc(C=O)ccc1F ZINC000038069678 174081210 /nfs/dbraw/zinc/08/12/10/174081210.db2.gz QHCUFNJARDIFHG-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN C[C@H]1Cc2cc(-c3ccc(F)c(C=O)c3)ccc2O1 ZINC000038071936 174082855 /nfs/dbraw/zinc/08/28/55/174082855.db2.gz QCQIPSNHXFHDRV-JTQLQIEISA-N 0 0 256.276 3.629 10 0 CHAERN Cc1cc(C)cc(C[C@](C)(O)c2cccc(F)c2)c1 ZINC000038077066 174087604 /nfs/dbraw/zinc/08/76/04/174087604.db2.gz PBORSEJTBDZQLF-KRWDZBQOSA-N 0 0 258.336 3.893 10 0 CHAERN Cc1cc(C)cc(COc2ccccc2[C@H](C)O)c1 ZINC000038076904 174087705 /nfs/dbraw/zinc/08/77/05/174087705.db2.gz KJQVEFFEDKXQPB-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN Oc1ccc(Sc2ncccc2C(F)(F)F)cc1 ZINC000038079192 174089169 /nfs/dbraw/zinc/08/91/69/174089169.db2.gz AMPFRPIQOQWJJD-UHFFFAOYSA-N 0 0 271.263 3.957 10 0 CHAERN CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000038143394 174134442 /nfs/dbraw/zinc/13/44/42/174134442.db2.gz BNLLDXIWYJQEGL-UHFFFAOYSA-N 0 0 298.773 3.661 10 0 CHAERN C(NN=c1[nH]c2ccccc2s1)=C1C=Nc2ccccc21 ZINC000038169308 174136097 /nfs/dbraw/zinc/13/60/97/174136097.db2.gz DYQFJDKWRIWADH-ZHACJKMWSA-N 0 0 292.367 3.970 10 0 CHAERN Cc1ccsc1/C=C\c1noc(-c2ccccc2O)n1 ZINC000038183943 174136114 /nfs/dbraw/zinc/13/61/14/174136114.db2.gz HDAYKIBMRMKDNC-SREVYHEPSA-N 0 0 284.340 3.983 10 0 CHAERN Nc1cccc(C(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000039172572 174164880 /nfs/dbraw/zinc/16/48/80/174164880.db2.gz SYYSRLIPTMVTMQ-UHFFFAOYSA-N 0 0 266.127 3.807 10 0 CHAERN Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21 ZINC000039201128 174165805 /nfs/dbraw/zinc/16/58/05/174165805.db2.gz UARPMBGQQUQMNF-UHFFFAOYSA-N 0 0 265.312 3.570 10 0 CHAERN CC(=O)c1nc2ccccc2n1C(=O)C=Cc1ccccc1 ZINC000039758514 174172294 /nfs/dbraw/zinc/17/22/94/174172294.db2.gz SOXQMVXXLMKDGC-VAWYXSNFSA-N 0 0 290.322 3.593 10 0 CHAERN O=C1c2cc(Cl)ccc2N=C1Nc1ccccc1 ZINC000040176348 174201320 /nfs/dbraw/zinc/20/13/20/174201320.db2.gz DPRISMYHJNVUAG-UHFFFAOYSA-N 0 0 256.692 3.678 10 0 CHAERN CCc1nc2ccccc2n1CCOc1ccccc1OC ZINC000040227355 174208792 /nfs/dbraw/zinc/20/87/92/174208792.db2.gz AODGAJVLTQRGBA-UHFFFAOYSA-N 0 0 296.370 3.686 10 0 CHAERN COc1ccc(Br)cc1[C@@H](O)c1cccs1 ZINC000040241654 174213578 /nfs/dbraw/zinc/21/35/78/174213578.db2.gz JBAOTMZBEOIXSH-GFCCVEGCSA-N 0 0 299.189 3.601 10 0 CHAERN COc1ccc([C@H](O)c2cccs2)cc1Br ZINC000040241400 174213881 /nfs/dbraw/zinc/21/38/81/174213881.db2.gz RFMXBKCNKXOFCA-LBPRGKRZSA-N 0 0 299.189 3.601 10 0 CHAERN O[C@H](c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000040245085 174214580 /nfs/dbraw/zinc/21/45/80/174214580.db2.gz MSEDATJNGMDTMF-IAGOWNOFSA-N 0 0 254.329 3.566 10 0 CHAERN CCOc1ccc([C@@H](O)CC(C)C)cc1OCC ZINC000040248156 174215825 /nfs/dbraw/zinc/21/58/25/174215825.db2.gz CQYTZAYDXOAVKT-ZDUSSCGKSA-N 0 0 252.354 3.564 10 0 CHAERN CC(C)c1ccc([C@H](O)COc2cccc(N)c2)cc1 ZINC000040352165 174245077 /nfs/dbraw/zinc/24/50/77/174245077.db2.gz DFGXVUJZLVZGIF-QGZVFWFLSA-N 0 0 271.360 3.505 10 0 CHAERN Nc1ccccc1OC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000040352209 174245088 /nfs/dbraw/zinc/24/50/88/174245088.db2.gz ASSHBWQSZYEURI-CYBMUJFWSA-N 0 0 298.169 3.688 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)c(N)c1 ZINC000040354747 174245604 /nfs/dbraw/zinc/24/56/04/174245604.db2.gz CWWFEZRKQWGSLK-NSHDSACASA-N 0 0 289.762 3.881 10 0 CHAERN Cc1cccc(-c2nc3ccc(Cl)cc3n2CCO)c1 ZINC000040401044 174253173 /nfs/dbraw/zinc/25/31/73/174253173.db2.gz JELZRCOZGIQDAW-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN Cc1cccc(-c2nc3cc(Cl)ccc3n2CCO)c1 ZINC000040401042 174253192 /nfs/dbraw/zinc/25/31/92/174253192.db2.gz CQMYFAPBQLBHIJ-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN OCCCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040402373 174253876 /nfs/dbraw/zinc/25/38/76/174253876.db2.gz IYHRSQFWPUYKQI-UHFFFAOYSA-N 0 0 286.762 3.739 10 0 CHAERN CC(C)(C)OC(=O)NCc1cccc(-c2ccc(N)cc2)c1 ZINC000040435059 174261016 /nfs/dbraw/zinc/26/10/16/174261016.db2.gz KUBBOKQREDUIST-UHFFFAOYSA-N 0 0 298.386 3.961 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2nc3ccccc3[nH]2)s1 ZINC000040518941 174308861 /nfs/dbraw/zinc/30/88/61/174308861.db2.gz NHLQWPCLQBNFJZ-VIFPVBQESA-N 0 0 272.377 3.809 10 0 CHAERN CC(C)c1ccc(Nc2ncnc(Cl)c2N)cc1 ZINC000040571716 174338459 /nfs/dbraw/zinc/33/84/59/174338459.db2.gz OEONYUFFOFAXJH-UHFFFAOYSA-N 0 0 262.744 3.579 10 0 CHAERN Nc1c(Cl)ncnc1Nc1cccc2ccccc21 ZINC000040571850 174338989 /nfs/dbraw/zinc/33/89/89/174338989.db2.gz XYGYJJDBKUZUOR-UHFFFAOYSA-N 0 0 270.723 3.609 10 0 CHAERN CC(C)(C)Nc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040680586 174375382 /nfs/dbraw/zinc/37/53/82/174375382.db2.gz JETJVXSTHCSSBA-UHFFFAOYSA-N 0 0 291.786 3.666 10 0 CHAERN CC(C)Nc1ncnc(Oc2ccc(C(C)C)cc2)c1N ZINC000040708031 174379922 /nfs/dbraw/zinc/37/99/22/174379922.db2.gz SDIZQQMWPODNCU-UHFFFAOYSA-N 0 0 286.379 3.795 10 0 CHAERN CCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040707898 174380016 /nfs/dbraw/zinc/38/00/16/174380016.db2.gz LECAJWWZXAKHRO-UHFFFAOYSA-N 0 0 292.770 3.635 10 0 CHAERN CC(C)Oc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040723083 174385499 /nfs/dbraw/zinc/38/54/99/174385499.db2.gz QCLJFLURXXEUIX-UHFFFAOYSA-N 0 0 295.795 3.651 10 0 CHAERN C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCS1 ZINC000171577121 335071516 /nfs/dbraw/zinc/07/15/16/335071516.db2.gz BUSAFXHZAVFKEN-NSHDSACASA-N 0 0 295.473 3.595 10 0 CHAERN Cc1ccc(OC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000040866055 174426250 /nfs/dbraw/zinc/42/62/50/174426250.db2.gz DUKNWUFVHIIXCR-IZZDOVSWSA-N 0 0 256.276 3.753 10 0 CHAERN CCCc1nn2cc(-c3ccc(C)cc3)nc2s1 ZINC000040963631 174440357 /nfs/dbraw/zinc/44/03/57/174440357.db2.gz FRPBYCCDOGTQIG-UHFFFAOYSA-N 0 0 257.362 3.719 10 0 CHAERN CCc1ccc(CCOc2ccc(C=O)cc2)cc1 ZINC000041324420 174521121 /nfs/dbraw/zinc/52/11/21/174521121.db2.gz CAIWEMNNRJFIBC-UHFFFAOYSA-N 0 0 254.329 3.683 10 0 CHAERN Cc1ccc(C[C@@H](CO)Cc2cccc(C)c2)cc1 ZINC000041324619 174521324 /nfs/dbraw/zinc/52/13/24/174521324.db2.gz IXAMQLUCYTUHHB-GOSISDBHSA-N 0 0 254.373 3.697 10 0 CHAERN Cc1ccc(C)c(COc2ccc([C@H](C)O)cc2)c1 ZINC000041326769 174523121 /nfs/dbraw/zinc/52/31/21/174523121.db2.gz DZSIEYBGRCSRRO-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1ccc(C)c(C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000041407589 174547967 /nfs/dbraw/zinc/54/79/67/174547967.db2.gz DBGSRXZMLHTUCK-INIZCTEOSA-N 0 0 272.363 3.836 10 0 CHAERN COc1ccc(C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000041436379 174552882 /nfs/dbraw/zinc/55/28/82/174552882.db2.gz PZXZZEZBRMAEMS-CQSZACIVSA-N 0 0 280.726 3.764 10 0 CHAERN COc1ccccc1C[C@H](CO)Cc1ccc(Cl)cc1 ZINC000041477910 174559369 /nfs/dbraw/zinc/55/93/69/174559369.db2.gz PCMZLAVHIOPRHZ-CQSZACIVSA-N 0 0 290.790 3.742 10 0 CHAERN CC(C)c1ccc(OCCn2c3ccccc3oc2=O)cc1 ZINC000041497384 174561787 /nfs/dbraw/zinc/56/17/87/174561787.db2.gz PTBUCMVPYVABJL-UHFFFAOYSA-N 0 0 297.354 3.797 10 0 CHAERN Brc1ccc(OCCNc2ccccc2)cc1 ZINC000042221069 174659559 /nfs/dbraw/zinc/65/95/59/174659559.db2.gz PMQGASUPJKQUKX-UHFFFAOYSA-N 0 0 292.176 3.940 10 0 CHAERN CC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000042238929 174662821 /nfs/dbraw/zinc/66/28/21/174662821.db2.gz XEVKSUVMQYTYFI-VHSXEESVSA-N 0 0 284.197 3.672 10 0 CHAERN Clc1nc(-c2ccc(Br)o2)nc2c1CCC2 ZINC000042400352 174710138 /nfs/dbraw/zinc/71/01/38/174710138.db2.gz RKXHYJKRBZUWCT-UHFFFAOYSA-N 0 0 299.555 3.641 10 0 CHAERN CCC1CCC(Nc2ccccc2C(N)=S)CC1 ZINC000042582481 174806436 /nfs/dbraw/zinc/80/64/36/174806436.db2.gz YNSLYAIHBVCMQR-UHFFFAOYSA-N 0 0 262.422 3.702 10 0 CHAERN C[C@H]1CCCC[C@@H]1Cn1c(=S)[nH]nc1C1CC1 ZINC000042865628 174894835 /nfs/dbraw/zinc/89/48/35/174894835.db2.gz YKQITOHVIHNZDH-GXSJLCMTSA-N 0 0 251.399 3.644 10 0 CHAERN Oc1ccc(CNc2ccc(F)cc2F)cc1Cl ZINC000043476905 175054868 /nfs/dbraw/zinc/05/48/68/175054868.db2.gz UHDCQPYPEFFMTO-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN Oc1ccc(CNc2cccc(F)c2F)cc1Cl ZINC000043488389 175056445 /nfs/dbraw/zinc/05/64/45/175056445.db2.gz WBDNMTGDKRYISX-UHFFFAOYSA-N 0 0 269.678 3.936 10 0 CHAERN Cc1cc(N)n([C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000043664563 175086063 /nfs/dbraw/zinc/08/60/63/175086063.db2.gz KHXXJVVBYFBFHG-UWJCENJNSA-N 0 0 259.397 3.551 10 0 CHAERN C[C@@H](NCc1sccc1Br)c1ccncc1 ZINC000043674938 175088365 /nfs/dbraw/zinc/08/83/65/175088365.db2.gz KAPOWIDIJUYSEF-SECBINFHSA-N 0 0 297.221 3.756 10 0 CHAERN CCc1c(C)nn(Cc2cc(Br)cs2)c1C ZINC000043687471 175095080 /nfs/dbraw/zinc/09/50/80/175095080.db2.gz GPAQTZXBUNXVNB-UHFFFAOYSA-N 0 0 299.237 3.935 10 0 CHAERN CC(=O)c1ccc(-c2ccc(Br)nc2)cc1 ZINC000044121224 175143001 /nfs/dbraw/zinc/14/30/01/175143001.db2.gz PXHYVBPEPUFKFR-UHFFFAOYSA-N 0 0 276.133 3.714 10 0 CHAERN CCN(C[C@H](O)c1ccc(C)cc1C)c1ccccc1 ZINC000044122082 175143209 /nfs/dbraw/zinc/14/32/09/175143209.db2.gz GTMMCSKSVHXKIH-SFHVURJKSA-N 0 0 269.388 3.863 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1Cl ZINC000044195471 175153632 /nfs/dbraw/zinc/15/36/32/175153632.db2.gz CQNQUVNFHRKKNF-SECBINFHSA-N 0 0 274.191 3.697 10 0 CHAERN Cc1cc(Nc2ccccc2)nc(NCc2ccccn2)n1 ZINC000045339654 175361227 /nfs/dbraw/zinc/36/12/27/175361227.db2.gz FHFLPMVCAWECFF-UHFFFAOYSA-N 0 0 291.358 3.536 10 0 CHAERN CCOC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1 ZINC000047202638 175404756 /nfs/dbraw/zinc/40/47/56/175404756.db2.gz IMKSDZLFVYKGLY-UHFFFAOYSA-N 0 0 295.338 3.924 10 0 CHAERN CC1(C)Cc2nc(-c3ccccc3)sc2C(=O)C1 ZINC000050330959 175514525 /nfs/dbraw/zinc/51/45/25/175514525.db2.gz KWGWZWVUVJIYCG-UHFFFAOYSA-N 0 0 257.358 3.965 10 0 CHAERN Nc1nc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12 ZINC000050786063 175518617 /nfs/dbraw/zinc/51/86/17/175518617.db2.gz PSFOOOOGDNVNBJ-UHFFFAOYSA-N 0 0 289.260 3.898 10 0 CHAERN Nc1nc(-c2ccc(N3CCCCCC3)c(F)c2)cs1 ZINC000058823229 175628783 /nfs/dbraw/zinc/62/87/83/175628783.db2.gz OOTHVCXKBJWQKH-UHFFFAOYSA-N 0 0 291.395 3.912 10 0 CHAERN CCC(=O)N1CCc2cn(CC(C)C)c3cccc(c23)C1 ZINC000065148694 175701259 /nfs/dbraw/zinc/70/12/59/175701259.db2.gz XOTVHONJPACAKL-UHFFFAOYSA-N 0 0 284.403 3.592 10 0 CHAERN CCN(Cc1nccn1C(C)C)c1ccc(F)cc1 ZINC000171631140 335072831 /nfs/dbraw/zinc/07/28/31/335072831.db2.gz BYWOHXMGLZMNJC-UHFFFAOYSA-N 0 0 261.344 3.630 10 0 CHAERN C[C@H]1CCC[C@H]1Nc1ccc(Br)cc1N ZINC000070828231 176007970 /nfs/dbraw/zinc/00/79/70/176007970.db2.gz PWCQOMNHXIPBSI-GZMMTYOYSA-N 0 0 269.186 3.632 10 0 CHAERN C[C@@H]1CCC[C@H]1Nc1ccc(Br)cc1N ZINC000070828228 176008173 /nfs/dbraw/zinc/00/81/73/176008173.db2.gz PWCQOMNHXIPBSI-LDYMZIIASA-N 0 0 269.186 3.632 10 0 CHAERN Cc1ccc(NCCOc2cc(F)ccc2F)cc1 ZINC000071168962 176049783 /nfs/dbraw/zinc/04/97/83/176049783.db2.gz WSPGCBOSADTVNU-UHFFFAOYSA-N 0 0 263.287 3.764 10 0 CHAERN COCc1cccc(Nc2nnc(Cl)c(C)c2C)c1 ZINC000071171632 176051789 /nfs/dbraw/zinc/05/17/89/176051789.db2.gz BSXVQPOUKZGDSI-UHFFFAOYSA-N 0 0 277.755 3.637 10 0 CHAERN C[C@@H]1CCC[C@@H]1n1c(=S)[nH]nc1-c1ccccc1 ZINC000071208497 176081416 /nfs/dbraw/zinc/08/14/16/176081416.db2.gz ABONAPYROSHPMC-PWSUYJOCSA-N 0 0 259.378 3.969 10 0 CHAERN Cc1ncsc1CNc1ccc(N)c(C(F)(F)F)c1 ZINC000071212993 176085080 /nfs/dbraw/zinc/08/50/80/176085080.db2.gz XFUNTGUSOXGXPL-UHFFFAOYSA-N 0 0 287.310 3.665 10 0 CHAERN C[C@@H](Cc1cccs1)Nc1ccc(F)cc1N ZINC000071269933 176103449 /nfs/dbraw/zinc/10/34/49/176103449.db2.gz ARTKJSNYBFSBHU-VIFPVBQESA-N 0 0 250.342 3.513 10 0 CHAERN C[C@@H](Cc1cccs1)Nc1ccc2scnc2c1N ZINC000071270126 176103752 /nfs/dbraw/zinc/10/37/52/176103752.db2.gz ALELKDAWRJOJGI-VIFPVBQESA-N 0 0 289.429 3.983 10 0 CHAERN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000071380945 176144924 /nfs/dbraw/zinc/14/49/24/176144924.db2.gz SUEGFIMXQAPNGX-SSDOTTSWSA-N 0 0 285.752 3.544 10 0 CHAERN COc1ccc(C)cc1[C@@H](C)Nc1cnccc1C ZINC000071413368 176158614 /nfs/dbraw/zinc/15/86/14/176158614.db2.gz HRJZYFDFZSBUGW-CYBMUJFWSA-N 0 0 256.349 3.880 10 0 CHAERN Cc1ccncc1-n1c(-c2ccccc2)c[nH]c1=S ZINC000071414150 176159277 /nfs/dbraw/zinc/15/92/77/176159277.db2.gz SDBMDUOBBZGYBJ-UHFFFAOYSA-N 0 0 267.357 3.905 10 0 CHAERN COc1cc2ccnc(Cl)c2cc1Br ZINC000071482464 176188862 /nfs/dbraw/zinc/18/88/62/176188862.db2.gz PPIUOJLFVXPVET-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(Cl)c1C=O ZINC000071645388 176240004 /nfs/dbraw/zinc/24/00/04/176240004.db2.gz SNDUTTDJKDVRAK-UHFFFAOYSA-N 0 0 288.656 3.665 10 0 CHAERN Nc1cc(C(F)(F)F)n(-c2ccc(Cl)cc2Cl)n1 ZINC000071651006 176240888 /nfs/dbraw/zinc/24/08/88/176240888.db2.gz VGRDUFLYTQHTMS-UHFFFAOYSA-N 0 0 296.079 3.780 10 0 CHAERN OCc1cccc(-n2ccc3ccc(Cl)cc32)c1 ZINC000071792054 176263594 /nfs/dbraw/zinc/26/35/94/176263594.db2.gz IXBVNDMAYIFXAO-UHFFFAOYSA-N 0 0 257.720 3.776 10 0 CHAERN CC(C)(C)c1cnc(Br)cc1Br ZINC000072193329 176336531 /nfs/dbraw/zinc/33/65/31/176336531.db2.gz VDUNENJHQSZYQL-UHFFFAOYSA-N 0 0 293.002 3.904 10 0 CHAERN N[C@H](c1ccc(Br)cc1Cl)C(F)(F)F ZINC000072195869 176338238 /nfs/dbraw/zinc/33/82/38/176338238.db2.gz KAQAZJKQXCBYKW-SSDOTTSWSA-N 0 0 288.494 3.665 10 0 CHAERN COc1cccc(CNc2nc3ccccc3nc2Cl)c1 ZINC000073665682 176485089 /nfs/dbraw/zinc/48/50/89/176485089.db2.gz GWFWBPOYKKZHSV-UHFFFAOYSA-N 0 0 299.761 3.904 10 0 CHAERN Nc1onc(-c2ccccc2Cl)c1-c1ccccn1 ZINC000076412780 177020881 /nfs/dbraw/zinc/02/08/81/177020881.db2.gz FPCPOMMYGNZADT-UHFFFAOYSA-N 0 0 271.707 3.639 10 0 CHAERN Fc1ccccc1-c1cn2cc(Br)ccc2n1 ZINC000076535434 177034953 /nfs/dbraw/zinc/03/49/53/177034953.db2.gz WIERVJWCSZUKSW-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN OCc1cn(Cc2ccccc2)c2c1cccc2Cl ZINC000077013750 177148651 /nfs/dbraw/zinc/14/86/51/177148651.db2.gz FGNANBBBYHAHGY-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN Cc1cc(Cl)c(NC(=O)N2CC3(CC3)C2)cc1C ZINC000334700284 225279451 /nfs/dbraw/zinc/27/94/51/225279451.db2.gz BRYUGNUZIKQWIZ-UHFFFAOYSA-N 0 0 264.756 3.585 10 0 CHAERN CO[C@H]1CCC[C@@H](Nc2ncnc3c4ccccc4oc32)C1 ZINC000301776830 227674142 /nfs/dbraw/zinc/67/41/42/227674142.db2.gz LPSVDWNIPKRCCK-NEPJUHHUSA-N 0 0 297.358 3.746 10 0 CHAERN Fc1ccc2ncnc(Oc3c(F)cccc3F)c2c1 ZINC000301924661 227731006 /nfs/dbraw/zinc/73/10/06/227731006.db2.gz IECOUDGWOCDVNK-UHFFFAOYSA-N 0 0 276.217 3.839 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccoc1Cl)[C@@H](C)C2 ZINC000192353723 227778036 /nfs/dbraw/zinc/77/80/36/227778036.db2.gz XZLGMYCEFZQUOX-HZMBPMFUSA-N 0 0 289.762 3.905 10 0 CHAERN C[C@@H]1C[C@H](C)[C@H](c2nc(CO[C@H]3CCCC[C@@H]3C)no2)O1 ZINC000329767160 227942642 /nfs/dbraw/zinc/94/26/42/227942642.db2.gz ZBWIBJXDUKQEAU-DKBOKBLXSA-N 0 0 294.395 3.651 10 0 CHAERN Clc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114201321 228112665 /nfs/dbraw/zinc/11/26/65/228112665.db2.gz DLBFRBHFOFWPMY-HNNXBMFYSA-N 0 0 275.783 3.790 10 0 CHAERN Cc1ccncc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333043978 228188715 /nfs/dbraw/zinc/18/87/15/228188715.db2.gz AYCOHQRQHLIIOY-UHFFFAOYSA-N 0 0 257.337 3.518 10 0 CHAERN C[C@H]1CC(=O)CC[C@H]1c1nc(C(C)(C)C2CCC2)no1 ZINC000333062617 228189144 /nfs/dbraw/zinc/18/91/44/228189144.db2.gz FANRNUWROKDHAM-GXFFZTMASA-N 0 0 276.380 3.620 10 0 CHAERN Cc1ccc(-c2nc([C@H]3CC3(C)C)no2)c(C2CC2)n1 ZINC000333806141 228215069 /nfs/dbraw/zinc/21/50/69/228215069.db2.gz HDVHUMFFCOHFSM-GFCCVEGCSA-N 0 0 269.348 3.831 10 0 CHAERN CCC[C@H](CC)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000187871185 260063033 /nfs/dbraw/zinc/06/30/33/260063033.db2.gz KGJWRXUOBIFZNN-SWLSCSKDSA-N 0 0 290.407 3.648 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)o1 ZINC000180414972 260101417 /nfs/dbraw/zinc/10/14/17/260101417.db2.gz SUNUCDIXRYCPKN-DZGCQCFKSA-N 0 0 285.387 3.952 10 0 CHAERN Fc1cc(CN[C@H]2COc3ccccc32)ccc1Cl ZINC000070070158 260151426 /nfs/dbraw/zinc/15/14/26/260151426.db2.gz AHLHWZWLJDFFNM-AWEZNQCLSA-N 0 0 277.726 3.702 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000070443335 260157842 /nfs/dbraw/zinc/15/78/42/260157842.db2.gz RNSKVVOCKIHESC-SECBINFHSA-N 0 0 269.270 3.612 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)c1ccccc1OC ZINC000041512501 260184004 /nfs/dbraw/zinc/18/40/04/260184004.db2.gz NBSQKYILFLQRHG-UHFFFAOYSA-N 0 0 299.370 3.620 10 0 CHAERN CCC1CCC(NC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000006592560 260226905 /nfs/dbraw/zinc/22/69/05/260226905.db2.gz BDVQKNHVFOTDQW-UHFFFAOYSA-N 0 0 288.391 3.980 10 0 CHAERN FC(F)(F)c1ccnc(N[C@H]2COc3ccccc32)c1 ZINC000090803502 260262569 /nfs/dbraw/zinc/26/25/69/260262569.db2.gz MFOYHHQLAUNCPV-NSHDSACASA-N 0 0 280.249 3.646 10 0 CHAERN CCn1cccc1CNc1cc(OC)ccc1OC(F)F ZINC000091024161 260265270 /nfs/dbraw/zinc/26/52/70/260265270.db2.gz DNVLQGGQPHQUPW-UHFFFAOYSA-N 0 0 296.317 3.730 10 0 CHAERN Cc1ncccc1N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000091496094 260266357 /nfs/dbraw/zinc/26/63/57/260266357.db2.gz XKZPCVJIRSIGQB-LBPRGKRZSA-N 0 0 284.359 3.724 10 0 in-vitro CHAERN Cc1nnc(N[C@H](C)c2ccccc2Br)s1 ZINC000077487104 260297040 /nfs/dbraw/zinc/29/70/40/260297040.db2.gz CYYFVHSVDZSCBX-SSDOTTSWSA-N 0 0 298.209 3.782 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085628607 260376841 /nfs/dbraw/zinc/37/68/41/260376841.db2.gz ABEBFJONKOQARV-HONMWMINSA-N 0 0 265.784 3.874 10 0 CHAERN CCc1ccc([C@H](C)Nc2nccn3nc(C)cc23)cc1 ZINC000129211103 260384430 /nfs/dbraw/zinc/38/44/30/260384430.db2.gz OBNFNVBAINLDET-ZDUSSCGKSA-N 0 0 280.375 3.773 10 0 CHAERN CCOC(=O)c1ccc(NC2CCC(CC)CC2)nc1 ZINC000048346389 260654965 /nfs/dbraw/zinc/65/49/65/260654965.db2.gz ZUEAVMUDLKYOLO-UHFFFAOYSA-N 0 0 276.380 3.639 10 0 CHAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CCN2 ZINC000169003948 260914605 /nfs/dbraw/zinc/91/46/05/260914605.db2.gz RZVVCKXXRABUQQ-WBVHZDCISA-N 0 0 286.419 3.599 10 0 CHAERN Cc1ccc(OCc2ccc(Br)s2)cn1 ZINC000101540939 260958487 /nfs/dbraw/zinc/95/84/87/260958487.db2.gz JKFZGLBJEUYKJO-UHFFFAOYSA-N 0 0 284.178 3.793 10 0 CHAERN CCCCCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154075587 261087312 /nfs/dbraw/zinc/08/73/12/261087312.db2.gz BLHZRUQVNBTZBI-GJZGRUSLSA-N 0 0 293.407 3.665 10 0 CHAERN CCOC(=O)c1csc(N[C@@H](C)c2cccs2)n1 ZINC000155831105 261108577 /nfs/dbraw/zinc/10/85/77/261108577.db2.gz DVXZUQIYEPWDQB-QMMMGPOBSA-N 0 0 282.390 3.554 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)o1 ZINC000156108260 261113789 /nfs/dbraw/zinc/11/37/89/261113789.db2.gz IXFVYKFVHWRTEZ-AAEUAGOBSA-N 0 0 289.350 3.783 10 0 CHAERN O=C(Sc1cccs1)[C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000001039479 261194790 /nfs/dbraw/zinc/19/47/90/261194790.db2.gz OOQMTHYNAWINFS-AXFHLTTASA-N 0 0 250.388 3.969 10 0 CHAERN CC(C)(C)c1nsc(NCCCCC(F)(F)F)n1 ZINC000149634015 261265610 /nfs/dbraw/zinc/26/56/10/261265610.db2.gz PPMPOTGFRJAVOJ-UHFFFAOYSA-N 0 0 281.347 3.980 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000176524988 261292656 /nfs/dbraw/zinc/29/26/56/261292656.db2.gz QOLCUVFBOFEVAC-LSDHHAIUSA-N 0 0 289.419 3.804 10 0 CHAERN COCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)o1 ZINC000104420965 261294211 /nfs/dbraw/zinc/29/42/11/261294211.db2.gz JTFQWGUIYWZBTH-QGZVFWFLSA-N 0 0 299.370 3.697 10 0 CHAERN CCCCCCC(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000105852086 261317111 /nfs/dbraw/zinc/31/71/11/261317111.db2.gz SCOVOKGRDAJNTK-HNNXBMFYSA-N 0 0 291.439 3.579 10 0 CHAERN Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)ncc1Br ZINC000301850778 261343389 /nfs/dbraw/zinc/34/33/89/261343389.db2.gz WSZDRTVRLKSWIK-VXGBXAGGSA-N 0 0 293.208 3.555 10 0 CHAERN CC(C)C1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177390679 261352862 /nfs/dbraw/zinc/35/28/62/261352862.db2.gz NQEQVKSFZXMPAH-OLZOCXBDSA-N 0 0 293.357 3.621 10 0 CHAERN COc1c(C)ccc(N[C@H](C)c2cncs2)c1C ZINC000164934158 261361471 /nfs/dbraw/zinc/36/14/71/261361471.db2.gz FRPFXFWSCNLRCN-LLVKDONJSA-N 0 0 262.378 3.942 10 0 CHAERN C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)c1nc2ccccc2[nH]1 ZINC000108721285 261388225 /nfs/dbraw/zinc/38/82/25/261388225.db2.gz QPTPRMBECFONAH-NWDGAFQWSA-N 0 0 287.407 3.812 10 0 CHAERN CCSCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000173464915 261533976 /nfs/dbraw/zinc/53/39/76/261533976.db2.gz ASMPALNBQDAYSG-WCQYABFASA-N 0 0 298.452 3.822 10 0 CHAERN CCOC(=O)c1coc(N[C@@H](C)c2ccc(CC)cc2)n1 ZINC000228324090 261931632 /nfs/dbraw/zinc/93/16/32/261931632.db2.gz LPHAHIMKAUQTFD-NSHDSACASA-N 0 0 288.347 3.587 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1c(Cl)nccc1C(F)(F)F ZINC000183491997 261976738 /nfs/dbraw/zinc/97/67/38/261976738.db2.gz VRTNVXKQMTZANC-SSDOTTSWSA-N 0 0 294.704 3.528 10 0 CHAERN CSCCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182230234 262048969 /nfs/dbraw/zinc/04/89/69/262048969.db2.gz QCTPGXOGDDBCEQ-CXAGYDPISA-N 0 0 291.460 3.878 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)NCc2ccncc2C)cc1 ZINC000185991939 262075161 /nfs/dbraw/zinc/07/51/61/262075161.db2.gz PMVMMWUHGPKTIT-AWEZNQCLSA-N 0 0 297.402 3.513 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccccc2CC)C12CCOCC2 ZINC000186444494 262094127 /nfs/dbraw/zinc/09/41/27/262094127.db2.gz XNKMOCSLKCAPCL-IRXDYDNUSA-N 0 0 289.419 3.635 10 0 CHAERN Clc1ccc2c(c1)N[C@@H]1SC=C3C=CC=C[C@H]3N21 ZINC000498049483 262218600 /nfs/dbraw/zinc/21/86/00/262218600.db2.gz WCIGKVLMDLDGSI-OCCSQVGLSA-N 0 0 274.776 3.981 10 0 CHAERN C[C@H](COCc1ccccc1)Nc1ccc2ccccc2n1 ZINC000390668375 262237140 /nfs/dbraw/zinc/23/71/40/262237140.db2.gz WNWOZVXGTNDRBA-OAHLLOKOSA-N 0 0 292.382 3.674 10 0 CHAERN CC(C)c1ccccc1NCc1c(Cl)cnn1C ZINC000187533201 263260477 /nfs/dbraw/zinc/26/04/77/263260477.db2.gz LDNDVSUTCZLJLX-UHFFFAOYSA-N 0 0 263.772 3.809 10 0 CHAERN CCn1ccnc1CSCc1cc(F)ccc1C ZINC000187506660 263261280 /nfs/dbraw/zinc/26/12/80/263261280.db2.gz XTOGYZJBOCCRQP-UHFFFAOYSA-N 0 0 264.369 3.784 10 0 CHAERN CCOc1cc(N2CCCC[C@@H]2c2ccc(C)o2)ncn1 ZINC000125471866 264010956 /nfs/dbraw/zinc/01/09/56/264010956.db2.gz BGEFITAZXRHZHE-CYBMUJFWSA-N 0 0 287.363 3.508 10 0 CHAERN C[C@H](Nc1cc(Cl)nc(C2CC2)n1)c1ccco1 ZINC000126486892 264220963 /nfs/dbraw/zinc/22/09/63/264220963.db2.gz VHDMAIFVFNBHDD-QMMMGPOBSA-N 0 0 263.728 3.774 10 0 CHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCCc3c(N)cccc32)C1 ZINC000126558218 264222804 /nfs/dbraw/zinc/22/28/04/264222804.db2.gz PMUQOQPDCFAUOF-KGLIPLIRSA-N 0 0 286.419 3.764 10 0 CHAERN Cc1cc(N2CC[C@@H]3CCCC[C@@H]32)ncc1Br ZINC000126779141 264225729 /nfs/dbraw/zinc/22/57/29/264225729.db2.gz GNNNDIRAHXRYRN-AAEUAGOBSA-N 0 0 295.224 3.921 10 0 CHAERN Cc1cc(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)co1 ZINC000189044579 264270674 /nfs/dbraw/zinc/27/06/74/264270674.db2.gz SOCNPHKPJYYOMD-MEDUHNTESA-N 0 0 269.344 3.560 10 0 CHAERN Cc1oncc1CN[C@H](C)c1ccc(Cl)s1 ZINC000189440749 264297816 /nfs/dbraw/zinc/29/78/16/264297816.db2.gz DRQPQUXSLQVVQE-SSDOTTSWSA-N 0 0 256.758 3.549 10 0 CHAERN CC(C)n1nccc1NC(=O)c1cccn1C1CCCC1 ZINC000180008480 264388553 /nfs/dbraw/zinc/38/85/53/264388553.db2.gz MMXKRYOOQYUOQG-UHFFFAOYSA-N 0 0 286.379 3.633 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N2CCCC3(CCCCC3)CC2)O1 ZINC000190674667 264590806 /nfs/dbraw/zinc/59/08/06/264590806.db2.gz RUZRJYZJBKQPNP-HUUCEWRRSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000114400995 266241444 /nfs/dbraw/zinc/24/14/44/266241444.db2.gz LVAZFWRMRZIUNN-CJNGLKHVSA-N 0 0 289.423 3.680 10 0 CHAERN O=C(c1ccc(F)c2ccccc12)N1C[C@H]2CCC[C@H]21 ZINC000359592106 266603546 /nfs/dbraw/zinc/60/35/46/266603546.db2.gz NMRMJCSXFTXAKJ-BDJLRTHQSA-N 0 0 269.319 3.603 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1C ZINC000116043859 267121310 /nfs/dbraw/zinc/12/13/10/267121310.db2.gz VUNLIMCXIBTSSJ-OAHLLOKOSA-N 0 0 269.344 3.874 10 0 CHAERN O=C(CCC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116212479 267134082 /nfs/dbraw/zinc/13/40/82/267134082.db2.gz LIEJJIHFEYOPNJ-HNNXBMFYSA-N 0 0 297.354 3.606 10 0 CHAERN O=C(Nc1ccc(Cl)nc1)N1CCC[C@@H]1c1ccco1 ZINC000116406192 267152271 /nfs/dbraw/zinc/15/22/71/267152271.db2.gz VJTBPHANAVQTQI-LLVKDONJSA-N 0 0 291.738 3.697 10 0 CHAERN O=C(Nc1c(F)cccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116475497 267153112 /nfs/dbraw/zinc/15/31/12/267153112.db2.gz JCIQGJMCWWVWPJ-GFCCVEGCSA-N 0 0 292.285 3.927 10 0 CHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000117252447 267207323 /nfs/dbraw/zinc/20/73/23/267207323.db2.gz UUFCQDHBOLHDMR-GDBMZVCRSA-N 0 0 291.439 3.690 10 0 CHAERN O=C([C@H]1CSc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000118229744 267245485 /nfs/dbraw/zinc/24/54/85/267245485.db2.gz NHRLKLWNASJFHN-KBPBESRZSA-N 0 0 299.395 3.833 10 0 CHAERN CCN(C(=O)N1CCCC[C@H]1c1ccc(C)o1)C(C)C ZINC000119000617 267291686 /nfs/dbraw/zinc/29/16/86/267291686.db2.gz JBRBDOOHYHHSPW-AWEZNQCLSA-N 0 0 278.396 3.965 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2CCCCC[C@@H]21 ZINC000370714716 267341071 /nfs/dbraw/zinc/34/10/71/267341071.db2.gz CQEBFCPPKOFTRL-ZBFHGGJFSA-N 0 0 268.360 3.573 10 0 CHAERN CC1(C)C[C@H](NC(=O)c2ccsc2)c2ccccc2O1 ZINC000121461238 267658456 /nfs/dbraw/zinc/65/84/56/267658456.db2.gz PGMZSJFFOFUDSN-ZDUSSCGKSA-N 0 0 287.384 3.780 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)c1cc2ccccc2s1 ZINC000170956283 327680104 /nfs/dbraw/zinc/68/01/04/327680104.db2.gz IZLRXMVVAXKVBO-SCVCMEIPSA-N 0 0 274.389 3.670 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCc2ccncc2)cc1 ZINC000053509555 327710857 /nfs/dbraw/zinc/71/08/57/327710857.db2.gz UFJXIJIREQSDDI-CQSZACIVSA-N 0 0 297.402 3.765 10 0 CHAERN Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CCCn2ncnc21 ZINC000164682617 327723227 /nfs/dbraw/zinc/72/32/27/327723227.db2.gz ZMIDXXFFDYPZRS-OCCSQVGLSA-N 0 0 296.374 3.518 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178234931 327793224 /nfs/dbraw/zinc/79/32/24/327793224.db2.gz IQQJVNMGLWBOJM-AAEUAGOBSA-N 0 0 287.325 3.568 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000184848672 327833971 /nfs/dbraw/zinc/83/39/71/327833971.db2.gz HMPJKMYHTYXMGL-GXFFZTMASA-N 0 0 285.309 3.553 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1CCCC12CCCC2 ZINC000312433855 326810877 /nfs/dbraw/zinc/81/08/77/326810877.db2.gz BLFHBYXIHAJZKO-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN C[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(Cl)o1 ZINC000344690226 327048162 /nfs/dbraw/zinc/04/81/62/327048162.db2.gz WMZBYGYXYYFPOY-LBPRGKRZSA-N 0 0 279.767 3.628 10 0 CHAERN Nc1ccc(-c2nc(CCc3ccccc3)no2)c(Cl)c1 ZINC000048814666 327279909 /nfs/dbraw/zinc/27/99/09/327279909.db2.gz VZTLDLUNRQSCLO-UHFFFAOYSA-N 0 0 299.761 3.757 10 0 CHAERN CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000116522941 327308462 /nfs/dbraw/zinc/30/84/62/327308462.db2.gz GNRYYDOMBZPCCF-NSHDSACASA-N 0 0 252.358 3.527 10 0 CHAERN CC[C@H](CC1CCCC1)C(=O)N1CCS[C@@H](C)C1 ZINC000114329426 328644165 /nfs/dbraw/zinc/64/41/65/328644165.db2.gz WJJMMGWRXMCMCN-GXTWGEPZSA-N 0 0 269.454 3.557 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3)cc1F ZINC000054107604 328686181 /nfs/dbraw/zinc/68/61/81/328686181.db2.gz UWLVXIGGLALPJJ-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000054186807 328689323 /nfs/dbraw/zinc/68/93/23/328689323.db2.gz BLPOEQIAHSQWKL-CABZTGNLSA-N 0 0 259.271 3.685 10 0 CHAERN CNc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000041636459 328714234 /nfs/dbraw/zinc/71/42/34/328714234.db2.gz HXLWQVOJZIJVHR-LLVKDONJSA-N 0 0 288.778 3.873 10 0 CHAERN CC(C)[C@H](CC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000102986609 328716328 /nfs/dbraw/zinc/71/63/28/328716328.db2.gz KUMIBUJFUIJDHS-PVAVHDDUSA-N 0 0 289.419 3.500 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)CC3CCCC3)c21 ZINC000103129145 328765924 /nfs/dbraw/zinc/76/59/24/328765924.db2.gz FPYVZSXPEDGGKJ-UHFFFAOYSA-N 0 0 284.403 3.715 10 0 CHAERN Cc1ccccc1[C@H](C)NCc1nnc(-c2ccccc2)o1 ZINC000192854340 328812728 /nfs/dbraw/zinc/81/27/28/328812728.db2.gz MVFGPFCRUGDZAK-AWEZNQCLSA-N 0 0 293.370 3.896 10 0 CHAERN CCOc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1C ZINC000116040109 328933754 /nfs/dbraw/zinc/93/37/54/328933754.db2.gz YJBDMPJDKMHBAO-HNNXBMFYSA-N 0 0 299.370 3.964 10 0 CHAERN O=C(/C=C/C1CCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000117805443 328943609 /nfs/dbraw/zinc/94/36/09/328943609.db2.gz JVRHKVYNZNHQRR-ZNFPLGDCSA-N 0 0 287.407 3.600 10 0 CHAERN CCCSCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121976367 328992091 /nfs/dbraw/zinc/99/20/91/328992091.db2.gz ZCUYQDACVNSARZ-ZDUSSCGKSA-N 0 0 293.432 3.548 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000193853033 329062028 /nfs/dbraw/zinc/06/20/28/329062028.db2.gz OGDZHTNTGCJDRZ-KEYYUXOJSA-N 0 0 289.419 3.660 10 0 CHAERN CCOC(=O)[C@@H](N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000194021935 329064811 /nfs/dbraw/zinc/06/48/11/329064811.db2.gz HQJKZHLSUAJOGJ-CJNGLKHVSA-N 0 0 287.359 3.543 10 0 CHAERN c1coc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026818 329083463 /nfs/dbraw/zinc/08/34/63/329083463.db2.gz RNLHSRUVEYNMKV-AWEZNQCLSA-N 0 0 295.342 3.667 10 0 CHAERN C[C@@H](N[C@H](C)c1ccncc1)c1nnc(-c2ccccc2)o1 ZINC000172987989 329141736 /nfs/dbraw/zinc/14/17/36/329141736.db2.gz NDARXRVZBNSLGU-CHWSQXEVSA-N 0 0 294.358 3.543 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)C2=CCCCO2)o1 ZINC000173191440 329143137 /nfs/dbraw/zinc/14/31/37/329143137.db2.gz COCAARUZVNWGGI-CQSZACIVSA-N 0 0 289.375 3.590 10 0 CHAERN CCC[C@@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173407173 329146721 /nfs/dbraw/zinc/14/67/21/329146721.db2.gz SDFAZGHKMQUQII-YPMHNXCESA-N 0 0 280.437 3.594 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000173407067 329146820 /nfs/dbraw/zinc/14/68/20/329146820.db2.gz NJYKFVIZNFAUBG-AWEZNQCLSA-N 0 0 292.448 3.738 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 ZINC000173414084 329147001 /nfs/dbraw/zinc/14/70/01/329147001.db2.gz QHABRASYJMGJSF-KGLIPLIRSA-N 0 0 290.432 3.514 10 0 CHAERN CC(C)(C(=O)N1CCC2(CCCC2)C1)c1cccs1 ZINC000173733023 329147882 /nfs/dbraw/zinc/14/78/82/329147882.db2.gz PULYJFQXUPYYDR-UHFFFAOYSA-N 0 0 277.433 3.818 10 0 CHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000173520210 329148470 /nfs/dbraw/zinc/14/84/70/329148470.db2.gz UPEMJDYSVWCYSB-HOCLYGCPSA-N 0 0 291.439 3.690 10 0 CHAERN C[C@@H](C(=O)N1CC=C(c2cccs2)CC1)c1cccnc1 ZINC000174978066 329161901 /nfs/dbraw/zinc/16/19/01/329161901.db2.gz VSLUPJWVUYZDRK-CYBMUJFWSA-N 0 0 298.411 3.563 10 0 CHAERN Clc1ncc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000175419662 329165615 /nfs/dbraw/zinc/16/56/15/329165615.db2.gz OSYKHAVBXNZHCG-SNVBAGLBSA-N 0 0 299.852 3.980 10 0 CHAERN CC(C)[C@H](C)CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176391869 329175340 /nfs/dbraw/zinc/17/53/40/329175340.db2.gz BBQUNPCDZOILRS-OLZOCXBDSA-N 0 0 295.452 3.672 10 0 CHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H]1c1ccco1 ZINC000177216189 329181971 /nfs/dbraw/zinc/18/19/71/329181971.db2.gz HAFJNKZNISOSAP-LLVKDONJSA-N 0 0 295.260 3.674 10 0 CHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H]1c1ccco1 ZINC000177216169 329182033 /nfs/dbraw/zinc/18/20/33/329182033.db2.gz HAFJNKZNISOSAP-NSHDSACASA-N 0 0 295.260 3.674 10 0 CHAERN Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)cnn1C ZINC000177254550 329182448 /nfs/dbraw/zinc/18/24/48/329182448.db2.gz VOGXDCXPCVMSJD-CVEARBPZSA-N 0 0 297.402 3.594 10 0 CHAERN Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)cnn1C ZINC000177254533 329182523 /nfs/dbraw/zinc/18/25/23/329182523.db2.gz VOGXDCXPCVMSJD-HZPDHXFCSA-N 0 0 297.402 3.594 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccoc2)o1 ZINC000177299880 329185685 /nfs/dbraw/zinc/18/56/85/329185685.db2.gz XCZXTVGIXGBKHN-OAHLLOKOSA-N 0 0 287.359 3.867 10 0 CHAERN C[C@H]1CC[C@H](CC(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177713869 329189668 /nfs/dbraw/zinc/18/96/68/329189668.db2.gz KPBDEKGYGRNDOS-RYUDHWBXSA-N 0 0 285.347 3.501 10 0 CHAERN C[C@@H]1CC[C@H](CC(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177713855 329189702 /nfs/dbraw/zinc/18/97/02/329189702.db2.gz KPBDEKGYGRNDOS-NEPJUHHUSA-N 0 0 285.347 3.501 10 0 CHAERN Cc1nnc([C@@H](N[C@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547634 329198329 /nfs/dbraw/zinc/19/83/29/329198329.db2.gz MSAWIQXIHDMXHC-ABAIWWIYSA-N 0 0 298.415 3.615 10 0 CHAERN CCc1cc(C(=O)N[C@H]2CCOc3ccccc32)oc1CC ZINC000178356841 329198946 /nfs/dbraw/zinc/19/89/46/329198946.db2.gz HTQOJCIZKXYAIG-AWEZNQCLSA-N 0 0 299.370 3.658 10 0 CHAERN C[C@H](N[C@@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863062 329245591 /nfs/dbraw/zinc/24/55/91/329245591.db2.gz MWUCBZPHUZNMCO-STQMWFEESA-N 0 0 294.358 3.543 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000183607503 329251269 /nfs/dbraw/zinc/25/12/69/329251269.db2.gz MRJSOJNIYPWJMH-JSGCOSHPSA-N 0 0 275.392 3.580 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2COc3cc(C)c(C)cc32)o1 ZINC000183934605 329254772 /nfs/dbraw/zinc/25/47/72/329254772.db2.gz ZECBDYKRCYQYFG-UKRRQHHQSA-N 0 0 299.370 3.558 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)CC(C)C)C2)n1 ZINC000184828433 329263048 /nfs/dbraw/zinc/26/30/48/329263048.db2.gz DGZMFBGVXMYNIB-JSGCOSHPSA-N 0 0 294.464 3.840 10 0 CHAERN CSCc1ccccc1NC(=O)N[C@H](C)C(C)C ZINC000184754705 329263965 /nfs/dbraw/zinc/26/39/65/329263965.db2.gz HPEHMTWRCGGRLE-LLVKDONJSA-N 0 0 266.410 3.716 10 0 CHAERN COCCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000185191309 329267354 /nfs/dbraw/zinc/26/73/54/329267354.db2.gz DINQRIYTNHIPHK-CJNGLKHVSA-N 0 0 289.419 3.804 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2CCCC3(CC3)C2)CC(C)(C)C1 ZINC000185375466 329271420 /nfs/dbraw/zinc/27/14/20/329271420.db2.gz CMLSUSYENQDQCE-KBPBESRZSA-N 0 0 263.425 3.851 10 0 CHAERN COc1ccccc1-c1nc(-c2cc(C)no2)cs1 ZINC000185920771 329332563 /nfs/dbraw/zinc/33/25/63/329332563.db2.gz AJHFVNUPBOFGQJ-UHFFFAOYSA-N 0 0 272.329 3.782 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C(C)(C)C ZINC000186542583 329345060 /nfs/dbraw/zinc/34/50/60/329345060.db2.gz JNPBFTUOUTZNFM-SNVBAGLBSA-N 0 0 261.369 3.510 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186555077 329345346 /nfs/dbraw/zinc/34/53/46/329345346.db2.gz OIOFHIMDNMOWBM-LBPRGKRZSA-N 0 0 281.359 3.837 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000187777824 329360731 /nfs/dbraw/zinc/36/07/31/329360731.db2.gz MCUKPDPNCZRGEC-CYBMUJFWSA-N 0 0 291.782 3.708 10 0 CHAERN CC[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000188377434 329366522 /nfs/dbraw/zinc/36/65/22/329366522.db2.gz LNJKAQNKWLGQKD-DGCLKSJQSA-N 0 0 280.437 3.594 10 0 CHAERN CN1Cc2cc(NCCC(C)(C)C)ccc2NC1=O ZINC000188559220 329369959 /nfs/dbraw/zinc/36/99/59/329369959.db2.gz QCVULWZLGKIEMU-UHFFFAOYSA-N 0 0 261.369 3.512 10 0 CHAERN Cc1cnc([C@@H](C)Nc2nccc(C)c2Br)o1 ZINC000231747141 329378622 /nfs/dbraw/zinc/37/86/22/329378622.db2.gz KYWQHTSVYIGRKY-SECBINFHSA-N 0 0 296.168 3.622 10 0 CHAERN CC(C)C[C@@H](C)NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000189648511 329384997 /nfs/dbraw/zinc/38/49/97/329384997.db2.gz MTLFGUPNUPVHTQ-DOMZBBRYSA-N 0 0 290.407 3.503 10 0 CHAERN CCC1(C(=O)N2CC3(CCOCC3)c3ccccc32)CCC1 ZINC000189850148 329389726 /nfs/dbraw/zinc/38/97/26/329389726.db2.gz UECIYTZKJIVCEH-UHFFFAOYSA-N 0 0 299.414 3.662 10 0 CHAERN CC(C)[C@@H]1C[C@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389143 329395950 /nfs/dbraw/zinc/39/59/50/329395950.db2.gz QWLLQOPBJAXVCL-RVMXOQNASA-N 0 0 278.396 3.748 10 0 CHAERN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCc2ccccc21 ZINC000102668709 329534559 /nfs/dbraw/zinc/53/45/59/329534559.db2.gz VTKJNTXMRXEJQW-ZDUSSCGKSA-N 0 0 291.354 3.860 10 0 CHAERN Cc1ccc(CCC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000102870854 329534593 /nfs/dbraw/zinc/53/45/93/329534593.db2.gz RPURUUOVVRPSCN-KRWDZBQOSA-N 0 0 271.404 3.719 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2ccccc2)c(C)s1 ZINC000311924811 329540442 /nfs/dbraw/zinc/54/04/42/329540442.db2.gz CIGBYDQJWJRIHQ-JTQLQIEISA-N 0 0 275.373 3.785 10 0 CHAERN Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccco2)cc1C ZINC000116040027 329544386 /nfs/dbraw/zinc/54/43/86/329544386.db2.gz HOTUJJPNJFJWDQ-INIZCTEOSA-N 0 0 299.370 3.639 10 0 CHAERN O=C(c1ccccc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116040125 329544468 /nfs/dbraw/zinc/54/44/68/329544468.db2.gz XPUKBMQSYYBFEJ-CYBMUJFWSA-N 0 0 275.735 3.910 10 0 CHAERN CCC[C@@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117723864 329546457 /nfs/dbraw/zinc/54/64/57/329546457.db2.gz OCSPRLVCCJSBID-GFCCVEGCSA-N 0 0 263.406 3.800 10 0 CHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000128112176 329604911 /nfs/dbraw/zinc/60/49/11/329604911.db2.gz XCEMCFJVVZSGLG-XUJVJEKNSA-N 0 0 287.359 3.520 10 0 CHAERN CCCCCCC(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000128263141 329606553 /nfs/dbraw/zinc/60/65/53/329606553.db2.gz ACGWHSURBABRQY-HIFRSBDPSA-N 0 0 275.392 3.638 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2C)o1 ZINC000128364935 329607308 /nfs/dbraw/zinc/60/73/08/329607308.db2.gz LMDSZILSNXPTCL-YUTCNCBUSA-N 0 0 261.365 3.552 10 0 CHAERN Cc1c(NC(=O)[C@@H]2CC[C@@H](C)O2)cccc1C(F)(F)F ZINC000128755311 329611475 /nfs/dbraw/zinc/61/14/75/329611475.db2.gz VDLVIPKDHDRGHR-PELKAZGASA-N 0 0 287.281 3.520 10 0 CHAERN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000130774819 329627831 /nfs/dbraw/zinc/62/78/31/329627831.db2.gz AKMLLRFNLPKRSA-CABCVRRESA-N 0 0 298.434 3.643 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccncc1 ZINC000056794782 329676806 /nfs/dbraw/zinc/67/68/06/329676806.db2.gz ALWLQYPMVRGPNC-CZUORRHYSA-N 0 0 287.407 3.507 10 0 CHAERN CCn1c(C)nnc1CSc1ccccc1Cl ZINC000194657216 329687682 /nfs/dbraw/zinc/68/76/82/329687682.db2.gz MCHSYSWQPFVYEU-UHFFFAOYSA-N 0 0 267.785 3.552 10 0 CHAERN CCn1c(C)nnc1CS[C@@H](C)c1ccccc1F ZINC000194700894 329688232 /nfs/dbraw/zinc/68/82/32/329688232.db2.gz WFKMPPHGJHYQEQ-JTQLQIEISA-N 0 0 279.384 3.740 10 0 CHAERN CC(C)n1nnnc1CNc1ccc(-c2ccccc2)cc1 ZINC000194989458 329689932 /nfs/dbraw/zinc/68/99/32/329689932.db2.gz FBYAETFMAHLGBG-UHFFFAOYSA-N 0 0 293.374 3.533 10 0 CHAERN CCCCC(=O)N1CC=C(c2cn(C)c3ccccc23)CC1 ZINC000243727614 329697223 /nfs/dbraw/zinc/69/72/23/329697223.db2.gz PRPWNYILPFPBMR-UHFFFAOYSA-N 0 0 296.414 3.984 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000246002518 329764944 /nfs/dbraw/zinc/76/49/44/329764944.db2.gz JZMCIFLJQIBUOX-UGFHNGPFSA-N 0 0 293.794 3.571 10 0 CHAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000246309284 329827138 /nfs/dbraw/zinc/82/71/38/329827138.db2.gz IDTPVJBWWLNJLL-HSMVNMDESA-N 0 0 257.377 3.787 10 0 CHAERN C[C@H](NC(=O)c1cc[nH]c1)c1ccc2ccccc2c1 ZINC000068231057 329852034 /nfs/dbraw/zinc/85/20/34/329852034.db2.gz XCGXWXPVUAFRNM-LBPRGKRZSA-N 0 0 264.328 3.659 10 0 CHAERN COc1ccccc1[C@@H]1CCCN1C(=O)N[C@H](C)C(C)C ZINC000069260396 329854112 /nfs/dbraw/zinc/85/41/12/329854112.db2.gz OSNQZGYHSLCFAV-HIFRSBDPSA-N 0 0 290.407 3.586 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000248648145 329896798 /nfs/dbraw/zinc/89/67/98/329896798.db2.gz QLAVFTZTQSUULN-FMKPAKJESA-N 0 0 293.407 3.751 10 0 CHAERN CC[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc(Cl)cc1 ZINC000248954301 329902826 /nfs/dbraw/zinc/90/28/26/329902826.db2.gz LDUZAKQDYICRAX-CQDKDKBSSA-N 0 0 295.810 3.722 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C)c2ccccc21 ZINC000249556290 329907796 /nfs/dbraw/zinc/90/77/96/329907796.db2.gz MHGUKLFYFZIZJI-RMRKRWHISA-N 0 0 287.403 3.556 10 0 CHAERN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000250540689 329915669 /nfs/dbraw/zinc/91/56/69/329915669.db2.gz NFQSONANGGNDTH-MBNYWOFBSA-N 0 0 295.810 3.675 10 0 CHAERN C[C@@H](NC(=O)c1ccncc1F)c1ccc2ccccc2c1 ZINC000078064083 329941761 /nfs/dbraw/zinc/94/17/61/329941761.db2.gz CNGQHZFZKMMCME-GFCCVEGCSA-N 0 0 294.329 3.865 10 0 CHAERN CCC[C@H](C)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078187585 329947251 /nfs/dbraw/zinc/94/72/51/329947251.db2.gz SILDDEFYRLTSNQ-DZKIICNBSA-N 0 0 289.419 3.836 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)C3CCCC3)C2)cc1 ZINC000078187615 329947270 /nfs/dbraw/zinc/94/72/70/329947270.db2.gz JSLADQSPYMNHMS-BBRMVZONSA-N 0 0 287.403 3.590 10 0 CHAERN CC(C)C[C@@H](C[NH2+][C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263014005 330038774 /nfs/dbraw/zinc/03/87/74/330038774.db2.gz CPYOIOFHCUGSHT-OCCSQVGLSA-N 0 0 297.826 3.608 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)CCc2ccoc2)c2ccccc21 ZINC000162615127 330087208 /nfs/dbraw/zinc/08/72/08/330087208.db2.gz RKNBDGJPTUBNHP-GUYCJALGSA-N 0 0 283.371 3.967 10 0 CHAERN Cc1noc(C)c1CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162662820 330104054 /nfs/dbraw/zinc/10/40/54/330104054.db2.gz GMLIZKRLRMPHGR-GTNSWQLSSA-N 0 0 298.386 3.589 10 0 CHAERN CSCCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162712094 330109222 /nfs/dbraw/zinc/10/92/22/330109222.db2.gz HHLTYFAZVPEFSV-SWLSCSKDSA-N 0 0 277.433 3.884 10 0 CHAERN COCc1ccccc1N[C@@H](C)CCc1ccc(O)cc1 ZINC000036939029 330317576 /nfs/dbraw/zinc/31/75/76/330317576.db2.gz OLCLOIDGHDLDOJ-AWEZNQCLSA-N 0 0 285.387 3.972 10 0 CHAERN C[C@@H]1CCCC[C@]12C[C@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956539 330383343 /nfs/dbraw/zinc/38/33/43/330383343.db2.gz YNANVRPIAGMPJA-WWGRRREGSA-N 0 0 283.412 3.591 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)CCc1ccccc1 ZINC000091028975 330397875 /nfs/dbraw/zinc/39/78/75/330397875.db2.gz BCWOBFXUXGAJAY-CYBMUJFWSA-N 0 0 289.448 3.861 10 0 CHAERN CCn1c(C)nnc1CSCc1c(C)cc(C)cc1C ZINC000091029297 330397937 /nfs/dbraw/zinc/39/79/37/330397937.db2.gz QUYLMDBUIBERJS-UHFFFAOYSA-N 0 0 289.448 3.965 10 0 CHAERN O=C1CCCN1CC[C@@H]1CN(C2CCCC2)c2ccccc21 ZINC000093199820 330418166 /nfs/dbraw/zinc/41/81/66/330418166.db2.gz JISWHUPWKOQDNW-OAHLLOKOSA-N 0 0 298.430 3.545 10 0 CHAERN CC[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000084187192 330485035 /nfs/dbraw/zinc/48/50/35/330485035.db2.gz WHZSJOUPOGRROF-TVYUQYBPSA-N 0 0 285.309 3.724 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 ZINC000086340296 330494833 /nfs/dbraw/zinc/49/48/33/330494833.db2.gz RTNOICPXCKSSEJ-ZDUSSCGKSA-N 0 0 262.397 3.921 10 0 CHAERN CCC[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)OC(C)(C)C ZINC000194960150 331082660 /nfs/dbraw/zinc/08/26/60/331082660.db2.gz GAEMIWFOLQKSTF-IUODEOHRSA-N 0 0 293.407 3.553 10 0 CHAERN O=C(N1CCc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000172141402 335095809 /nfs/dbraw/zinc/09/58/09/335095809.db2.gz WZZQVDDWKLRHJY-OAHLLOKOSA-N 0 0 282.343 3.599 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000172228298 335098186 /nfs/dbraw/zinc/09/81/86/335098186.db2.gz UXAHSCSWRDHDPX-LBPRGKRZSA-N 0 0 276.380 3.641 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccoc2)cc1 ZINC000172582321 335109649 /nfs/dbraw/zinc/10/96/49/335109649.db2.gz ZQSZOPNOLDTQIG-IAGOWNOFSA-N 0 0 283.371 3.823 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000174304279 332995565 /nfs/dbraw/zinc/99/55/65/332995565.db2.gz JNDUVVIXJVQNMF-LXZKKBNFSA-N 0 0 287.403 3.590 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CC=CCC2)o1 ZINC000175087752 333014269 /nfs/dbraw/zinc/01/42/69/333014269.db2.gz NUIBXJAUGDEDJJ-LSDHHAIUSA-N 0 0 288.391 3.933 10 0 CHAERN CC(C)N(C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1 ZINC000175686123 333029128 /nfs/dbraw/zinc/02/91/28/333029128.db2.gz WYTSTDPPWFTMMI-MNOVXSKESA-N 0 0 292.345 3.690 10 0 CHAERN CC[C@H](c1ccccc1)[S@](=O)Cc1nccn1C(C)C ZINC000176844420 333048848 /nfs/dbraw/zinc/04/88/48/333048848.db2.gz YEPPKHHTOORFPM-FOIQADDNSA-N 0 0 290.432 3.864 10 0 CHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1C)c1cccc(Cl)c1 ZINC000178445407 333073043 /nfs/dbraw/zinc/07/30/43/333073043.db2.gz CLKVCWBGPSVLFT-SRVKXCTJSA-N 0 0 280.799 3.841 10 0 CHAERN C[C@H](O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000087138610 333081340 /nfs/dbraw/zinc/08/13/40/333081340.db2.gz UDFSEPHPIUUKDA-WDSKDSINSA-N 0 0 269.555 3.795 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N(C(C)C)C2CC2)cc1F ZINC000088784710 333091969 /nfs/dbraw/zinc/09/19/69/333091969.db2.gz FHUNFSKQRITYHJ-LBPRGKRZSA-N 0 0 278.371 3.778 10 0 CHAERN Cc1ccc(CO)cc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000182833064 333117875 /nfs/dbraw/zinc/11/78/75/333117875.db2.gz ARUIVEIQYRSIJO-SWLSCSKDSA-N 0 0 289.419 3.888 10 0 CHAERN CCC[C@@H]1C[C@@H](C(=O)NC2CCC(CC)CC2)CCO1 ZINC000182928711 333118472 /nfs/dbraw/zinc/11/84/72/333118472.db2.gz YAGQMFFDEOPIAD-BHDPWAOGSA-N 0 0 281.440 3.667 10 0 CHAERN C[C@@H](NC(=O)c1c[nH]c2cc(F)ccc12)c1cccs1 ZINC000184018669 333124358 /nfs/dbraw/zinc/12/43/58/333124358.db2.gz XYYJHVWRRYUIIU-SECBINFHSA-N 0 0 288.347 3.860 10 0 CHAERN CCC1(C(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCC1 ZINC000185750110 333148049 /nfs/dbraw/zinc/14/80/49/333148049.db2.gz TURFEVXGPJRAIF-CABCVRRESA-N 0 0 279.424 3.517 10 0 CHAERN CCCOc1cccc(CN[C@H](C)c2ncc(C)o2)c1 ZINC000220910540 333170667 /nfs/dbraw/zinc/17/06/67/333170667.db2.gz DMPPOXFFWAQBEL-CYBMUJFWSA-N 0 0 274.364 3.623 10 0 CHAERN COc1ccc2[nH]c(C(=O)N[C@H](C)c3ccc(C)o3)cc2c1 ZINC000188924671 333176306 /nfs/dbraw/zinc/17/63/06/333176306.db2.gz KZIAIUTZKPPESJ-LLVKDONJSA-N 0 0 298.342 3.569 10 0 CHAERN O=C(c1csc(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000189298408 333189644 /nfs/dbraw/zinc/18/96/44/333189644.db2.gz JLFKUNOUJLWMIX-SNVBAGLBSA-N 0 0 281.764 3.972 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190286433 333205335 /nfs/dbraw/zinc/20/53/35/333205335.db2.gz DOGHTFXMVRCNAO-DOMZBBRYSA-N 0 0 275.392 3.738 10 0 CHAERN CC(C)c1ccc(CN(C)C(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000190553697 333208035 /nfs/dbraw/zinc/20/80/35/333208035.db2.gz IWABKTJRLWENMK-WMLDXEAASA-N 0 0 289.419 3.584 10 0 CHAERN CCc1onc(C)c1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000193295571 333247223 /nfs/dbraw/zinc/24/72/23/333247223.db2.gz AFHVGMYTTCGEMN-ZETCQYMHSA-N 0 0 298.795 3.751 10 0 CHAERN CC1(C)CCCC[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000194161671 333266686 /nfs/dbraw/zinc/26/66/86/333266686.db2.gz FMOVNXVMEGIJDX-GJZGRUSLSA-N 0 0 287.403 3.843 10 0 CHAERN CN(C(=O)c1ccc2cc[nH]c2c1)c1c(F)cccc1F ZINC000194230383 333267631 /nfs/dbraw/zinc/26/76/31/333267631.db2.gz BEJVWNNAFCBHPN-UHFFFAOYSA-N 0 0 286.281 3.723 10 0 CHAERN CCC1CCC(NC(=O)[C@H](C)c2cccc(OC)c2)CC1 ZINC000194444622 333271417 /nfs/dbraw/zinc/27/14/17/333271417.db2.gz DJYIYFLUXJTKAT-VQCLRJIVSA-N 0 0 289.419 3.884 10 0 CHAERN CCCc1ccccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000194727899 333276569 /nfs/dbraw/zinc/27/65/69/333276569.db2.gz GMMDKZNPTFLCBT-INIZCTEOSA-N 0 0 296.370 3.894 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(C)c(C)cc2C)o1 ZINC000227556150 333285570 /nfs/dbraw/zinc/28/55/70/333285570.db2.gz FJQJXDVFQTVKCG-AWEZNQCLSA-N 0 0 258.365 3.759 10 0 CHAERN Cc1nnc(N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000230188715 333315556 /nfs/dbraw/zinc/31/55/56/333315556.db2.gz GETXKSGEMAKZJD-LLVKDONJSA-N 0 0 275.377 3.561 10 0 CHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC=CCC1 ZINC000128897709 333725227 /nfs/dbraw/zinc/72/52/27/333725227.db2.gz AHNCKZMTLVSNRK-KBPBESRZSA-N 0 0 297.320 3.633 10 0 CHAERN C[C@@H](N[C@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000131224408 333910686 /nfs/dbraw/zinc/91/06/86/333910686.db2.gz QSZBMYOXDUIQLK-SFYZADRCSA-N 0 0 278.154 3.572 10 0 CHAERN CC(=O)c1csc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000131871287 333968000 /nfs/dbraw/zinc/96/80/00/333968000.db2.gz IUMAKJMGYRALTJ-RYUDHWBXSA-N 0 0 292.404 3.501 10 0 CHAERN CCC1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000074385973 334005140 /nfs/dbraw/zinc/00/51/40/334005140.db2.gz ZPPVJAZYAHSIMS-UHFFFAOYSA-N 0 0 265.422 3.766 10 0 CHAERN CC1(C)CCCN1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000077512880 334107084 /nfs/dbraw/zinc/10/70/84/334107084.db2.gz JBBYPLOQPPVCAC-QWRGUYRKSA-N 0 0 292.345 3.692 10 0 CHAERN CCCCN(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000079336045 334151831 /nfs/dbraw/zinc/15/18/31/334151831.db2.gz SXTGNDIQRMQVOQ-VIFPVBQESA-N 0 0 274.817 3.904 10 0 CHAERN Cc1ccc(CCCC(=O)N[C@@H](C)C(C)C)s1 ZINC000079384003 334153146 /nfs/dbraw/zinc/15/31/46/334153146.db2.gz QGNSRNQUMDUWTH-LBPRGKRZSA-N 0 0 253.411 3.540 10 0 CHAERN CCC1CCC(Nc2nc(C(=O)OC)c(C)s2)CC1 ZINC000137235569 334172100 /nfs/dbraw/zinc/17/21/00/334172100.db2.gz TYCWIGNPSQDYBD-UHFFFAOYSA-N 0 0 282.409 3.619 10 0 CHAERN Cc1nc2ccc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)cc2o1 ZINC000245468932 334195626 /nfs/dbraw/zinc/19/56/26/334195626.db2.gz UKKIRDNWIXVCTD-JYAVWHMHSA-N 0 0 270.332 3.511 10 0 CHAERN Cc1cc(N)c(F)cc1-c1ccc(OC2CC2)cc1 ZINC000311382648 334210298 /nfs/dbraw/zinc/21/02/98/334210298.db2.gz BQIIKWWBGBQCSD-UHFFFAOYSA-N 0 0 257.308 3.925 10 0 CHAERN C[C@H](CCC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000138452879 334214905 /nfs/dbraw/zinc/21/49/05/334214905.db2.gz SOIBALZMYAXKHU-PBHICJAKSA-N 0 0 295.382 3.820 10 0 CHAERN C[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000245855947 334221567 /nfs/dbraw/zinc/22/15/67/334221567.db2.gz AALZHIPZGBNJNQ-SUNYJGFJSA-N 0 0 297.398 3.627 10 0 CHAERN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@@H]1C ZINC000245908852 334223772 /nfs/dbraw/zinc/22/37/72/334223772.db2.gz IONWUWOOLAIDII-RWEMILLDSA-N 0 0 286.202 3.697 10 0 CHAERN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1C[C@H]1C ZINC000245908847 334223813 /nfs/dbraw/zinc/22/38/13/334223813.db2.gz IONWUWOOLAIDII-KKFJDGPESA-N 0 0 286.202 3.697 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000246568969 334264417 /nfs/dbraw/zinc/26/44/17/334264417.db2.gz SITOWLYMDSKXAV-WKPIXPDZSA-N 0 0 277.795 3.906 10 0 CHAERN CCCCCOc1ccc(C(=O)N[C@H](C)C2CC2)cc1 ZINC000248274567 334297995 /nfs/dbraw/zinc/29/79/95/334297995.db2.gz XUYLVVLKRNMTLW-CYBMUJFWSA-N 0 0 275.392 3.784 10 0 CHAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]2CCCC[C@@H]21)C(C)(C)C ZINC000248435559 334301626 /nfs/dbraw/zinc/30/16/26/334301626.db2.gz RSCRWBWQTOGQFD-MQYQWHSLSA-N 0 0 266.429 3.641 10 0 CHAERN O=C(c1scnc1C1CC1)N1CCC[C@H]1c1ccco1 ZINC000089810894 334351058 /nfs/dbraw/zinc/35/10/58/334351058.db2.gz BCABGGZXBJUVHT-NSHDSACASA-N 0 0 288.372 3.591 10 0 CHAERN CCc1noc(C)c1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000155635382 334725783 /nfs/dbraw/zinc/72/57/83/334725783.db2.gz JJCLDORPFIJWJG-HNNXBMFYSA-N 0 0 299.374 3.745 10 0 CHAERN Cc1cc(Cl)c(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1Cl ZINC000157631898 334778772 /nfs/dbraw/zinc/77/87/72/334778772.db2.gz RIAYCQRKKFUVDZ-PELKAZGASA-N 0 0 288.174 3.808 10 0 CHAERN CCc1cccc(CC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000157733013 334782561 /nfs/dbraw/zinc/78/25/61/334782561.db2.gz IJZBSASCQBQHMD-ZDUSSCGKSA-N 0 0 271.360 3.570 10 0 CHAERN Cc1ccoc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157905213 334787289 /nfs/dbraw/zinc/78/72/89/334787289.db2.gz LCHPVSKXWBUHDC-AWEZNQCLSA-N 0 0 273.307 3.535 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@]1(C)CCCS1 ZINC000158661280 334809034 /nfs/dbraw/zinc/80/90/34/334809034.db2.gz CMWVFMQJIUKMEB-BBRMVZONSA-N 0 0 292.448 3.641 10 0 CHAERN C[C@@H](CCCc1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000180387719 335579176 /nfs/dbraw/zinc/57/91/76/335579176.db2.gz CEFIVZOPMCQVOL-GJZGRUSLSA-N 0 0 291.460 3.609 10 0 CHAERN CCCc1nc(CN[C@H]2c3ccccc3CCC2(C)C)no1 ZINC000183216442 335879856 /nfs/dbraw/zinc/87/98/56/335879856.db2.gz SEWVQLYZDSIGCF-KRWDZBQOSA-N 0 0 299.418 3.825 10 0 CHAERN CC(C)c1nnc(CNc2cccc3ccccc32)n1C ZINC000194981591 336041796 /nfs/dbraw/zinc/04/17/96/336041796.db2.gz PULSBKXUAJQUSA-UHFFFAOYSA-N 0 0 280.375 3.704 10 0 CHAERN CCCc1ccccc1NCc1nnc(C(C)C)n1C ZINC000194993710 336042151 /nfs/dbraw/zinc/04/21/51/336042151.db2.gz YFYJEOZOCUPVRH-UHFFFAOYSA-N 0 0 272.396 3.503 10 0 CHAERN CC(C)C[C@@H](C)[N@H+](C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062755530 519772491 /nfs/dbraw/zinc/77/24/91/519772491.db2.gz AZQADECLURIOQL-HIFRSBDPSA-N 0 0 263.381 3.569 10 0 CHAERN CCN(C(=O)c1cc(Cl)ccc1NC)C1CCCC1 ZINC000050752886 520068662 /nfs/dbraw/zinc/06/86/62/520068662.db2.gz XBWCFSWHDHAMNN-UHFFFAOYSA-N 0 0 280.799 3.786 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(C2CCCCC2)cs1 ZINC000301718912 521043295 /nfs/dbraw/zinc/04/32/95/521043295.db2.gz VSANBRLXLDEIPZ-JTQLQIEISA-N 0 0 267.394 3.857 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000226804244 521732729 /nfs/dbraw/zinc/73/27/29/521732729.db2.gz UBJNHFKGGZCOHH-ZJUUUORDSA-N 0 0 269.439 3.502 10 0 CHAERN CC(=O)c1cnc(N(C)[C@@H](C)c2cccs2)s1 ZINC000054863123 518480707 /nfs/dbraw/zinc/48/07/07/518480707.db2.gz YBFLMFYLMUSYBY-QMMMGPOBSA-N 0 0 266.391 3.605 10 0 CHAERN CC(C)(C)c1ccc(COC(=O)c2ccc(N)cc2)cc1 ZINC000049880755 519032036 /nfs/dbraw/zinc/03/20/36/519032036.db2.gz VGSXKDPHWDBTIR-UHFFFAOYSA-N 0 0 283.371 3.923 10 0 CHAERN CC(C)=C(F)C(=O)N(C)[C@H]1CCCc2nc(C)sc21 ZINC000153651021 519386230 /nfs/dbraw/zinc/38/62/30/519386230.db2.gz YEAYVEJRHUESMB-NSHDSACASA-N 0 0 282.384 3.551 10 0 CHAERN CC(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129824965 519509660 /nfs/dbraw/zinc/50/96/60/519509660.db2.gz VSJUCHXPEVWXSI-CQSZACIVSA-N 0 0 273.376 3.595 10 0 CHAERN CC(C)N(C)c1ccc(NCC2CCOCC2)cc1F ZINC000052176234 519633951 /nfs/dbraw/zinc/63/39/51/519633951.db2.gz VNLXWZQQMVBQTL-UHFFFAOYSA-N 0 0 280.387 3.509 10 0 CHAERN CC(C)C[N@H+](C(C)C)[C@H](CC(=O)[O-])c1ccccc1 ZINC000062755751 519707851 /nfs/dbraw/zinc/70/78/51/519707851.db2.gz HILVSVJSSYYYQX-OAHLLOKOSA-N 0 0 263.381 3.569 10 0 CHAERN CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000155431529 519777630 /nfs/dbraw/zinc/77/76/30/519777630.db2.gz FQQLTCWHFMFNCX-GXFFZTMASA-N 0 0 297.782 3.633 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCCC(N)=S ZINC000049582985 519825777 /nfs/dbraw/zinc/82/57/77/519825777.db2.gz OTYYJDAIHUTWSH-MGPQQGTHSA-N 0 0 271.470 3.920 10 0 CHAERN CC(C)c1csc([C@H](N)c2cc(F)c(F)c(F)c2)n1 ZINC000062719438 519857424 /nfs/dbraw/zinc/85/74/24/519857424.db2.gz HIEVXNBSNLQKDK-GFCCVEGCSA-N 0 0 286.322 3.732 10 0 CHAERN CC(C)c1nc(CSc2ccncc2N)cs1 ZINC000049277040 519865215 /nfs/dbraw/zinc/86/52/15/519865215.db2.gz PLEFEBHGBGAGFC-UHFFFAOYSA-N 0 0 265.407 3.536 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2Cc2cccs2)no1 ZINC000127878253 519867102 /nfs/dbraw/zinc/86/71/02/519867102.db2.gz XETPMJBUMJNEKL-LBPRGKRZSA-N 0 0 277.393 3.592 10 0 CHAERN CC(C)c1noc(N[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000265642946 519906472 /nfs/dbraw/zinc/90/64/72/519906472.db2.gz SKHUYFBVLAZVHQ-MRVPVSSYSA-N 0 0 267.279 3.644 10 0 CHAERN CCCCCC[C@@H](C)NC(=O)c1cc(N)c(C)s1 ZINC000049191541 520118071 /nfs/dbraw/zinc/11/80/71/520118071.db2.gz NXKLJTWZXSWFLU-SNVBAGLBSA-N 0 0 268.426 3.727 10 0 CHAERN CCCCCC[C@@H]1CN(c2cccc(O)c2)C(=O)O1 ZINC000049069365 520123540 /nfs/dbraw/zinc/12/35/40/520123540.db2.gz KGRPWDPRMSZZBB-CQSZACIVSA-N 0 0 263.337 3.688 10 0 CHAERN CCCNc1ccc(Cl)cc1C(=O)N[C@@H](C)C(C)C ZINC000050746183 520164277 /nfs/dbraw/zinc/16/42/77/520164277.db2.gz BAUGWLWODYISLG-NSHDSACASA-N 0 0 282.815 3.936 10 0 CHAERN CCCNc1ncccc1CO[C@H]1CCCC[C@@H]1C ZINC000052754788 520195676 /nfs/dbraw/zinc/19/56/76/520195676.db2.gz LNOHJNBVRXALKG-ZFWWWQNUSA-N 0 0 262.397 3.999 10 0 CHAERN CCCCC[C@@H](O)C1(c2ccccc2)CCOCC1 ZINC000062783450 520295471 /nfs/dbraw/zinc/29/54/71/520295471.db2.gz QDYCZPHBSRAZIY-MRXNPFEDSA-N 0 0 262.393 3.676 10 0 CHAERN CCNc1ccc(CO[C@@H]2CCCC[C@H]2CC)cn1 ZINC000050831465 520303380 /nfs/dbraw/zinc/30/33/80/520303380.db2.gz JJRBPWPLOYGWMB-HUUCEWRRSA-N 0 0 262.397 3.999 10 0 CHAERN CCNc1ccc(CO[C@H]2CCCC[C@H]2CC)cn1 ZINC000050831463 520304613 /nfs/dbraw/zinc/30/46/13/520304613.db2.gz JJRBPWPLOYGWMB-CABCVRRESA-N 0 0 262.397 3.999 10 0 CHAERN CCCOc1cc(C)ccc1N[C@H](C)c1cn(C)nc1C ZINC000087409059 520306388 /nfs/dbraw/zinc/30/63/88/520306388.db2.gz QMZCEEQWYUQMKZ-CYBMUJFWSA-N 0 0 287.407 3.999 10 0 CHAERN CC1(C)CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000102918556 520331221 /nfs/dbraw/zinc/33/12/21/520331221.db2.gz DTVMESDMDVKARM-UHFFFAOYSA-N 0 0 271.813 3.735 10 0 CHAERN CCNc1nc(Cc2ccc(Cl)cc2)nc(C)c1C ZINC000050864197 520358005 /nfs/dbraw/zinc/35/80/05/520358005.db2.gz AFHJBXIHWQXEAE-UHFFFAOYSA-N 0 0 275.783 3.769 10 0 CHAERN CCCOc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139065300 520427857 /nfs/dbraw/zinc/42/78/57/520427857.db2.gz NLHHRNLFTLLGNO-QWHCGFSZSA-N 0 0 273.380 3.610 10 0 CHAERN CCCOc1cccc([C@H](NC)c2nc(C)cs2)c1 ZINC000052921846 520470491 /nfs/dbraw/zinc/47/04/91/520470491.db2.gz PVNYKLUBUUKMQZ-AWEZNQCLSA-N 0 0 276.405 3.549 10 0 CHAERN CCCCNC(=O)c1oc2ccc(CC)cc2c1C ZINC000054644888 520689916 /nfs/dbraw/zinc/68/99/16/520689916.db2.gz VAHGYWNFHDMUJV-UHFFFAOYSA-N 0 0 259.349 3.834 10 0 CHAERN CCC[C@@H](NC(=O)c1sccc1N)c1cccs1 ZINC000049540690 520756340 /nfs/dbraw/zinc/75/63/40/520756340.db2.gz UJYPTCWCEUXVAD-SNVBAGLBSA-N 0 0 280.418 3.663 10 0 CHAERN CCCCOc1ccccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189843823 520915124 /nfs/dbraw/zinc/91/51/24/520915124.db2.gz DZDHTHLMAVPYOQ-ZIAGYGMSSA-N 0 0 291.391 3.619 10 0 CHAERN CCC[C@@](C)([NH2+][C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000049514423 520926566 /nfs/dbraw/zinc/92/65/66/520926566.db2.gz LBVCWYLZVLJSIR-IINYFYTJSA-N 0 0 269.772 3.634 10 0 CHAERN CCCC[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000050889704 521146905 /nfs/dbraw/zinc/14/69/05/521146905.db2.gz ZVDJSKKATXGDFO-QMMMGPOBSA-N 0 0 290.226 3.819 10 0 CHAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+]2CCCCCC2)C1 ZINC000062750346 521210865 /nfs/dbraw/zinc/21/08/65/521210865.db2.gz VAHYFQSQEWAOLS-RRFJBIMHSA-N 0 0 267.413 3.532 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2ccc(F)cc2)[nH]1 ZINC000088398695 521300240 /nfs/dbraw/zinc/30/02/40/521300240.db2.gz COWNTLJVUNFGIV-UHFFFAOYSA-N 0 0 295.789 3.835 10 0 CHAERN CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C(=O)[O-] ZINC000061219696 521308753 /nfs/dbraw/zinc/30/87/53/521308753.db2.gz HALQZDLXZBFDER-SECBINFHSA-N 0 0 290.190 3.536 10 0 CHAERN CCOC(=O)[C@]1(Nc2ccc(Cl)cc2)CCCSC1 ZINC000061590591 521357665 /nfs/dbraw/zinc/35/76/65/521357665.db2.gz CJTNSMJIUACOKN-AWEZNQCLSA-N 0 0 299.823 3.581 10 0 CHAERN CC[N@H+](Cc1cccs1)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755118 521410167 /nfs/dbraw/zinc/41/01/67/521410167.db2.gz NTVOTSMKLWYWTI-UONOGXRCSA-N 0 0 281.421 3.604 10 0 CHAERN CCC(CC)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128600 521494615 /nfs/dbraw/zinc/49/46/15/521494615.db2.gz ZTJNXBOWCRMOEU-UHFFFAOYSA-N 0 0 272.392 3.571 10 0 CHAERN CCCc1nc(N(C)[C@@H]2CCCC[C@@H]2C)sc1CO ZINC000055004396 521529116 /nfs/dbraw/zinc/52/91/16/521529116.db2.gz SQLRXKHYZYZMRU-WCQYABFASA-N 0 0 282.453 3.603 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](C)c1cccc(Cl)c1 ZINC000049526349 521570227 /nfs/dbraw/zinc/57/02/27/521570227.db2.gz BASVFJKXUQJKGW-SECBINFHSA-N 0 0 281.812 3.782 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2nc(C3CC3)ns2)C1 ZINC000226804237 521727279 /nfs/dbraw/zinc/72/72/79/521727279.db2.gz UBJNHFKGGZCOHH-NXEZZACHSA-N 0 0 269.439 3.502 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000226804410 521733005 /nfs/dbraw/zinc/73/30/05/521733005.db2.gz BZQLRIFIZZEOFL-UWVGGRQHSA-N 0 0 256.802 3.821 10 0 CHAERN CCc1ccccc1[C@H](CO)Nc1ccccc1F ZINC000052205027 521954139 /nfs/dbraw/zinc/95/41/39/521954139.db2.gz JILWBJNFZHAKMO-INIZCTEOSA-N 0 0 259.324 3.534 10 0 CHAERN CC[C@@H](C)N(CCOC)c1ccc([C@@H](C)O)cc1Cl ZINC000061696608 522095643 /nfs/dbraw/zinc/09/56/43/522095643.db2.gz PJRXXLIKYLDBFO-VXGBXAGGSA-N 0 0 285.815 3.645 10 0 CHAERN CCc1n[nH]c(=S)n1[C@@H](C)c1cccc(Cl)c1 ZINC000049526346 522131392 /nfs/dbraw/zinc/13/13/92/522131392.db2.gz JUWAQIRDPMHRKK-QMMMGPOBSA-N 0 0 267.785 3.766 10 0 CHAERN CCc1n[nH]c(=S)n1[C@@H](C)c1cc(C)sc1C ZINC000049509953 522132080 /nfs/dbraw/zinc/13/20/80/522132080.db2.gz UFTMATADLHKMOA-QMMMGPOBSA-N 0 0 267.423 3.791 10 0 CHAERN CCc1n[nH]c(=S)n1[C@@H](C)c1ccccc1Cl ZINC000049510041 522132292 /nfs/dbraw/zinc/13/22/92/522132292.db2.gz IYUJRSOBVVULQV-QMMMGPOBSA-N 0 0 267.785 3.766 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccccc1SC1CCCC1 ZINC000103374655 522179745 /nfs/dbraw/zinc/17/97/45/522179745.db2.gz HVTOJBVCXUHDBN-GFCCVEGCSA-N 0 0 293.432 3.942 10 0 CHAERN CCc1nc(C2(NCc3cccc(CC)c3)CCCC2)no1 ZINC000189474046 522244985 /nfs/dbraw/zinc/24/49/85/522244985.db2.gz GYWDQVVCVLGAQH-UHFFFAOYSA-N 0 0 299.418 3.754 10 0 CHAERN COC[C@H](C)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000103391213 522545746 /nfs/dbraw/zinc/54/57/46/522545746.db2.gz MXSNRJOSGBOGSY-ZDUSSCGKSA-N 0 0 289.400 3.564 10 0 CHAERN COC[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103361559 522552629 /nfs/dbraw/zinc/55/26/29/522552629.db2.gz FUANXMWBHIAUED-LURJTMIESA-N 0 0 296.581 3.868 10 0 CHAERN CCc1ncc(CNc2cc(F)c(F)cc2F)s1 ZINC000061093670 522556816 /nfs/dbraw/zinc/55/68/16/522556816.db2.gz MZQAUULKBOFFJH-UHFFFAOYSA-N 0 0 272.295 3.735 10 0 CHAERN CNc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000050745846 522597712 /nfs/dbraw/zinc/59/77/12/522597712.db2.gz XFXRYEZWIGKBRT-UHFFFAOYSA-N 0 0 278.714 3.773 10 0 CHAERN CNc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000050723605 522597863 /nfs/dbraw/zinc/59/78/63/522597863.db2.gz SWANIJYAAXRWRU-UHFFFAOYSA-N 0 0 254.333 3.597 10 0 CHAERN CNc1ccc(Cl)c(COc2ccccc2C)n1 ZINC000061640063 522624442 /nfs/dbraw/zinc/62/44/42/522624442.db2.gz ACCBKYZNJQRYIL-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000050771094 522625071 /nfs/dbraw/zinc/62/50/71/522625071.db2.gz FYNGOGWVKCQBTM-MNOVXSKESA-N 0 0 280.799 3.642 10 0 CHAERN CNc1nc(-c2ccc(C(C)C)cc2)nc(C)c1C ZINC000050864107 522675276 /nfs/dbraw/zinc/67/52/76/522675276.db2.gz PNQOZPPIVKKRNL-UHFFFAOYSA-N 0 0 255.365 3.926 10 0 CHAERN CNc1nc(-c2ccc([C@H]3C[C@@H]3C)o2)nc(C)c1C ZINC000050865910 522676058 /nfs/dbraw/zinc/67/60/58/522676058.db2.gz FLEQBOZLDQPCMU-KWQFWETISA-N 0 0 257.337 3.519 10 0 CHAERN CNc1ncccc1COc1cc(C)cc(C)c1C ZINC000052755288 522709137 /nfs/dbraw/zinc/70/91/37/522709137.db2.gz ITOUQUMLNOCKRA-UHFFFAOYSA-N 0 0 256.349 3.628 10 0 CHAERN CNc1ncccc1CO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000052755065 522709907 /nfs/dbraw/zinc/70/99/07/522709907.db2.gz DLSWNPWHETVVRY-TZMCWYRMSA-N 0 0 262.397 3.855 10 0 CHAERN COc1cc(N[C@H](C)c2cncs2)ccc1Cl ZINC000228047812 522765210 /nfs/dbraw/zinc/76/52/10/522765210.db2.gz JMXOPCWQJROSJW-MRVPVSSYSA-N 0 0 268.769 3.978 10 0 CHAERN CC[C@H](Nc1cnn(C(C)C)c1)c1ccc(O)cc1 ZINC000061682522 522779622 /nfs/dbraw/zinc/77/96/22/522779622.db2.gz BGGSSLFEDWVFPQ-HNNXBMFYSA-N 0 0 259.353 3.733 10 0 CHAERN CC[C@H](O)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054739936 522827279 /nfs/dbraw/zinc/82/72/79/522827279.db2.gz SKIZJALUIOXSPR-ZDUSSCGKSA-N 0 0 285.174 3.682 10 0 CHAERN CC[C@H](OC)c1noc(-c2ccc3ccccc3c2O)n1 ZINC000157367001 522844324 /nfs/dbraw/zinc/84/43/24/522844324.db2.gz NWPLTXNVSZCFGM-ZDUSSCGKSA-N 0 0 284.315 3.693 10 0 CHAERN COc1cc([C@@H](O)Cc2cccs2)cc(Cl)c1OC ZINC000053785332 522912986 /nfs/dbraw/zinc/91/29/86/522912986.db2.gz UTSXZUBHBKFXTK-LBPRGKRZSA-N 0 0 298.791 3.695 10 0 CHAERN CCc1noc([C@H](C)N[C@@H](C)c2ccc(F)cc2Cl)n1 ZINC000129601725 522916090 /nfs/dbraw/zinc/91/60/90/522916090.db2.gz WQAKNMVDAOVKIP-IUCAKERBSA-N 0 0 297.761 3.836 10 0 CHAERN Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1Cl ZINC000336063262 534743797 /nfs/dbraw/zinc/74/37/97/534743797.db2.gz AYQDSQNUEPMHFB-JQWIXIFHSA-N 0 0 264.756 3.665 10 0 CHAERN CCc1ccc([C@H](NC)c2ccc(Cl)cc2F)o1 ZINC000051727478 524051573 /nfs/dbraw/zinc/05/15/73/524051573.db2.gz WKUJVECMJFWVKI-CQSZACIVSA-N 0 0 267.731 3.943 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)C=C(C)C)o1 ZINC000128345443 524053253 /nfs/dbraw/zinc/05/32/53/524053253.db2.gz COJKRIYQGNVHNX-CQSZACIVSA-N 0 0 261.365 3.862 10 0 CHAERN CCc1ccc([C@H]2CCCCN2Cc2noc(CC)n2)o1 ZINC000124865030 524053606 /nfs/dbraw/zinc/05/36/06/524053606.db2.gz SOWOUSPUJWWVSO-CYBMUJFWSA-N 0 0 289.379 3.515 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2cccc(Cl)c2C(N)=S)C1 ZINC000052904709 524318121 /nfs/dbraw/zinc/31/81/21/524318121.db2.gz COVYTPLHJAHIEF-NXEZZACHSA-N 0 0 282.840 3.965 10 0 CHAERN C[C@@H]1CCC[C@H](N(C)c2cccc(Cl)c2C(N)=S)C1 ZINC000052905978 524390223 /nfs/dbraw/zinc/39/02/23/524390223.db2.gz BXWBNVRQVKDDTO-MNOVXSKESA-N 0 0 296.867 3.989 10 0 CHAERN COc1ccccc1C[C@H](O)c1cccc(C)c1C ZINC000053329082 524512496 /nfs/dbraw/zinc/51/24/96/524512496.db2.gz KVFCPURCIWTHNE-INIZCTEOSA-N 0 0 256.345 3.588 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(c2ccccc2)C2CCCC2)O1 ZINC000155692080 524554654 /nfs/dbraw/zinc/55/46/54/524554654.db2.gz HKANIECTKCFGTR-CJNGLKHVSA-N 0 0 273.376 3.530 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N2CCCC3(C2)CCCCCC3)O1 ZINC000157980908 524629786 /nfs/dbraw/zinc/62/97/86/524629786.db2.gz QQSGFHHMQZKZHW-HUUCEWRRSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@H]1CN(c2ccnc3ccc(Cl)cc32)C[C@H](C)O1 ZINC000041479121 524674074 /nfs/dbraw/zinc/67/40/74/524674074.db2.gz GEQFMYARDDRGJJ-QWRGUYRKSA-N 0 0 276.767 3.502 10 0 CHAERN COc1ccc(NCc2cc(C)sc2C)cc1O ZINC000049686512 524680080 /nfs/dbraw/zinc/68/00/80/524680080.db2.gz HPIIEGGMJKANIS-UHFFFAOYSA-N 0 0 263.362 3.691 10 0 CHAERN C[C@@H](CNCC(F)(F)F)S[C@H]1CCC[C@@H](C)C1 ZINC000054696257 524737797 /nfs/dbraw/zinc/73/77/97/524737797.db2.gz TZVTUBFGQYADFS-VWYCJHECSA-N 0 0 269.376 3.839 10 0 CHAERN C[C@H](Cc1ccco1)Nc1cc2c(cc1Cl)OCO2 ZINC000062770265 524746495 /nfs/dbraw/zinc/74/64/95/524746495.db2.gz BNVMDIDAMGXGGG-SECBINFHSA-N 0 0 279.723 3.705 10 0 CHAERN Cc1ccc(Cn2c3ccccc3nc2[C@@H](C)O)cc1C ZINC000191450597 524770218 /nfs/dbraw/zinc/77/02/18/524770218.db2.gz PXAMVBWYIHAJIQ-CQSZACIVSA-N 0 0 280.371 3.755 10 0 CHAERN Cc1cc(CN[C@H](C)c2ccccc2Br)no1 ZINC000044296258 524778102 /nfs/dbraw/zinc/77/81/02/524778102.db2.gz LRUMYSUUFZABKH-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN Cc1cc(CNc2ccc3[nH]ccc3c2)c(C)n1C ZINC000052789712 524789608 /nfs/dbraw/zinc/78/96/08/524789608.db2.gz VACNKNLPFOJGRR-UHFFFAOYSA-N 0 0 253.349 3.735 10 0 CHAERN Cc1cc(CO)ccc1N1CCc2sccc2[C@H]1C ZINC000050561316 524793883 /nfs/dbraw/zinc/79/38/83/524793883.db2.gz WNAFZFAHFSBFGS-GFCCVEGCSA-N 0 0 273.401 3.673 10 0 CHAERN Cc1cc(Cl)ccc1-c1ccc(C[C@@H](C)O)o1 ZINC000062771347 524878813 /nfs/dbraw/zinc/87/88/13/524878813.db2.gz QEXBDCPPYCMIKS-SNVBAGLBSA-N 0 0 250.725 3.832 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000291615875 524914605 /nfs/dbraw/zinc/91/46/05/524914605.db2.gz ZJAPERQMXMUJIA-YPMHNXCESA-N 0 0 293.798 3.840 10 0 CHAERN C[C@@H](Cc1ccsc1)n1c(=S)[nH]nc1C1CC1 ZINC000049184552 524941537 /nfs/dbraw/zinc/94/15/37/524941537.db2.gz BAPQQDFLVJPZNM-QMMMGPOBSA-N 0 0 265.407 3.683 10 0 CHAERN C[C@@H](NC(=O)N(C)C1CCC1)c1ccc(F)c(Cl)c1 ZINC000073866469 525145390 /nfs/dbraw/zinc/14/53/90/525145390.db2.gz XCLZAXLZUPWCHG-SECBINFHSA-N 0 0 284.762 3.734 10 0 CHAERN C[C@@H](NC(=O)N(C)CC1CC1)c1ccc2ccccc2c1 ZINC000079857736 525147359 /nfs/dbraw/zinc/14/73/59/525147359.db2.gz AVQZYGAHMGMLCN-CYBMUJFWSA-N 0 0 282.387 3.952 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(F)c1 ZINC000117566387 525206194 /nfs/dbraw/zinc/20/61/94/525206194.db2.gz AEVCSXYMVHICNO-MEDUHNTESA-N 0 0 285.318 3.637 10 0 CHAERN C[C@H](NC(=O)c1ccc(N)cc1)c1ccc2c(c1)CCCC2 ZINC000243480455 525216069 /nfs/dbraw/zinc/21/60/69/525216069.db2.gz NOHJAXCRYUKNAS-ZDUSSCGKSA-N 0 0 294.398 3.639 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)ccc1C(F)(F)F ZINC000157789114 525234210 /nfs/dbraw/zinc/23/42/10/525234210.db2.gz NMXIPAJIPUDHIP-BXKDBHETSA-N 0 0 287.281 3.520 10 0 CHAERN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000045114638 525236579 /nfs/dbraw/zinc/23/65/79/525236579.db2.gz AZLDPHJHIIDMLI-CJNGLKHVSA-N 0 0 296.370 3.571 10 0 CHAERN Cc1cccnc1Oc1cccc(Br)c1 ZINC000051040797 525544549 /nfs/dbraw/zinc/54/45/49/525544549.db2.gz WJXMQHKXLOKEDU-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN Cc1ccn(C)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000189101748 525577898 /nfs/dbraw/zinc/57/78/98/525577898.db2.gz JXWLJNOJCMHAIF-JTQLQIEISA-N 0 0 294.757 3.617 10 0 CHAERN CSC[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127387245 525604797 /nfs/dbraw/zinc/60/47/97/525604797.db2.gz QVGHEUWBVKKLHD-DGCLKSJQSA-N 0 0 281.421 3.641 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1nccs1 ZINC000070984409 525607362 /nfs/dbraw/zinc/60/73/62/525607362.db2.gz SYKNKMCJEDZOAB-DTWKUNHWSA-N 0 0 268.332 3.833 10 0 CHAERN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cn1 ZINC000274743515 525648143 /nfs/dbraw/zinc/64/81/43/525648143.db2.gz ANHIZAPXDDOFRP-IAQYHMDHSA-N 0 0 288.778 3.909 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C[C@H](C)c2c(C)noc2C)o1 ZINC000130608056 525696618 /nfs/dbraw/zinc/69/66/18/525696618.db2.gz ZUVOUYUMCYXJQF-GXSJLCMTSA-N 0 0 290.363 3.564 10 0 CHAERN C[C@@H](Nc1ccc(N)cn1)c1ccc(Br)cc1 ZINC000049525221 525707371 /nfs/dbraw/zinc/70/73/71/525707371.db2.gz XZTUGUSSQVBXBI-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@H](C)C(C)C)s1 ZINC000187767779 525711329 /nfs/dbraw/zinc/71/13/29/525711329.db2.gz WUDCJAUQXLYEQS-LLVKDONJSA-N 0 0 276.405 3.826 10 0 CHAERN C[C@H](O)c1ccc(F)cc1OCCc1ccccc1 ZINC000062749388 525853674 /nfs/dbraw/zinc/85/36/74/525853674.db2.gz PZRWGYQGMDRYFE-LBPRGKRZSA-N 0 0 260.308 3.501 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCc3occc32)o1 ZINC000119441317 525903155 /nfs/dbraw/zinc/90/31/55/525903155.db2.gz CQNPABZQHQMNAU-AAEUAGOBSA-N 0 0 288.347 3.619 10 0 CHAERN Cc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)o1 ZINC000036960086 525946103 /nfs/dbraw/zinc/94/61/03/525946103.db2.gz GRPXSKLBZQJRRQ-JSGCOSHPSA-N 0 0 257.333 3.762 10 0 CHAERN C[C@H](SC1CCCC1)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000062829207 525971643 /nfs/dbraw/zinc/97/16/43/525971643.db2.gz PDPNEEXBZGVZJB-VIFPVBQESA-N 0 0 298.839 3.925 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccoc2)o1 ZINC000127955072 525996497 /nfs/dbraw/zinc/99/64/97/525996497.db2.gz HPJBRBBNGVTXQJ-CYBMUJFWSA-N 0 0 259.305 3.548 10 0 CHAERN CSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000150880387 526015992 /nfs/dbraw/zinc/01/59/92/526015992.db2.gz VRILQCFELLIMQI-GZMMTYOYSA-N 0 0 285.796 3.568 10 0 CHAERN Cc1cnc(CNc2nc3cccc(Cl)c3s2)cn1 ZINC000061322046 526052583 /nfs/dbraw/zinc/05/25/83/526052583.db2.gz OHRMFHJJLFHGKK-UHFFFAOYSA-N 0 0 290.779 3.660 10 0 CHAERN CSc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117566114 526175216 /nfs/dbraw/zinc/17/52/16/526175216.db2.gz WJXOTAFRBTYYEI-BDJLRTHQSA-N 0 0 299.395 3.912 10 0 CHAERN Cc1ccc2cccc(Nc3nsnc3Cl)c2n1 ZINC000061875523 526238529 /nfs/dbraw/zinc/23/85/29/526238529.db2.gz OFYSCBOCYKFMJK-UHFFFAOYSA-N 0 0 276.752 3.792 10 0 CHAERN Cc1csc(CN2CCCC[C@@H]2c2nccs2)n1 ZINC000130136394 526341567 /nfs/dbraw/zinc/34/15/67/526341567.db2.gz KFGNNHYAVJZYML-LLVKDONJSA-N 0 0 279.434 3.635 10 0 CHAERN Cc1csc(Cn2c(=S)[nH]c3cc(C)ccc32)n1 ZINC000049534155 526369665 /nfs/dbraw/zinc/36/96/65/526369665.db2.gz APNQQFSKJNMBGM-UHFFFAOYSA-N 0 0 275.402 3.821 10 0 CHAERN O=C(CCCC1CCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119881527 526417616 /nfs/dbraw/zinc/41/76/16/526417616.db2.gz UOPDOHMCQBOWBD-FUHWJXTLSA-N 0 0 293.451 3.501 10 0 CHAERN c1ccc(-c2nc(N[C@H]3CCOc4ccccc43)no2)cc1 ZINC000156953107 526453628 /nfs/dbraw/zinc/45/36/28/526453628.db2.gz FKAKUUAZSRCSNA-AWEZNQCLSA-N 0 0 293.326 3.672 10 0 CHAERN O=C(CCc1ccco1)[C@H]1CCCc2ccccc21 ZINC000054669121 526622331 /nfs/dbraw/zinc/62/23/31/526622331.db2.gz MCQGFZZKOHSPJD-INIZCTEOSA-N 0 0 254.329 3.901 10 0 CHAERN O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000264152336 526688557 /nfs/dbraw/zinc/68/85/57/526688557.db2.gz LDICWVSEYWPOGZ-CYBMUJFWSA-N 0 0 290.363 3.650 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000081288426 526702508 /nfs/dbraw/zinc/70/25/08/526702508.db2.gz VYVHWPHLEMFYGL-SSDOTTSWSA-N 0 0 296.729 3.575 10 0 CHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)C(C)C)s1 ZINC000106516426 526748901 /nfs/dbraw/zinc/74/89/01/526748901.db2.gz IVLDJVDRUGLPTJ-ONGXEEELSA-N 0 0 283.441 3.507 10 0 CHAERN Cc1occc1C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051754548 526814802 /nfs/dbraw/zinc/81/48/02/526814802.db2.gz JNRNVMDOGNIMAA-UHFFFAOYSA-N 0 0 256.301 3.533 10 0 CHAERN Cc1occc1CN(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000056543049 526820260 /nfs/dbraw/zinc/82/02/60/526820260.db2.gz WUQCPAOXUDWKNV-KRWDZBQOSA-N 0 0 298.386 3.807 10 0 CHAERN Cc1nc(CN[C@H](c2ccccc2)C2CCC2)oc1C ZINC000104702105 526894534 /nfs/dbraw/zinc/89/45/34/526894534.db2.gz JMPFAESXSCBICH-QGZVFWFLSA-N 0 0 270.376 3.922 10 0 CHAERN Clc1cc(Cl)nc(-c2ccc(Br)o2)n1 ZINC000058049089 526929242 /nfs/dbraw/zinc/92/92/42/526929242.db2.gz VRUGBGQKOPQOHX-UHFFFAOYSA-N 0 0 293.935 3.806 10 0 CHAERN Cc1nc(Cl)cc(N[C@H](C)Cc2ccc(F)cc2)n1 ZINC000061803482 526935655 /nfs/dbraw/zinc/93/56/55/526935655.db2.gz REZSNCGTBCYFSG-SECBINFHSA-N 0 0 279.746 3.621 10 0 CHAERN Cc1nc(Cn2c3cccc(F)c3[nH]c2=S)cs1 ZINC000049534149 526942748 /nfs/dbraw/zinc/94/27/48/526942748.db2.gz QKLMHEADIKISII-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN Clc1nc(Cl)nc(Nc2cccc3c2CCCC3)n1 ZINC000061518032 527003505 /nfs/dbraw/zinc/00/35/05/527003505.db2.gz SGSFVGLPOQXROV-UHFFFAOYSA-N 0 0 295.173 3.801 10 0 CHAERN Clc1nc(N[C@H]2CCc3ccccc32)nc2c1CCC2 ZINC000057345594 527006288 /nfs/dbraw/zinc/00/62/88/527006288.db2.gz HHWDCRHYEUMAQI-AWEZNQCLSA-N 0 0 285.778 3.718 10 0 CHAERN NC(=S)c1ccc(NCC2CCCCC2)c(Cl)c1 ZINC000062795261 527120412 /nfs/dbraw/zinc/12/04/12/527120412.db2.gz XSZYKOJMCHSADI-UHFFFAOYSA-N 0 0 282.840 3.966 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2Cc1cccs1 ZINC000052852468 527509595 /nfs/dbraw/zinc/50/95/95/527509595.db2.gz AATUGMQLUBTUOI-UHFFFAOYSA-N 0 0 269.373 3.606 10 0 CHAERN Nc1nc(-c2ccc(Oc3ccccc3)cc2)ns1 ZINC000053994444 527540364 /nfs/dbraw/zinc/54/03/64/527540364.db2.gz BYGOHSDTPITVCK-UHFFFAOYSA-N 0 0 269.329 3.580 10 0 CHAERN O[C@@H](CC(F)(F)F)c1ccccc1C(F)(F)F ZINC000055233663 527644305 /nfs/dbraw/zinc/64/43/05/527644305.db2.gz NPDBXRZFIHAZCS-QMMMGPOBSA-N 0 0 258.161 3.691 10 0 CHAERN O[C@@H](Cc1c(F)cccc1Cl)C1=CCCCC1 ZINC000050328820 527664343 /nfs/dbraw/zinc/66/43/43/527664343.db2.gz BUZNKSPIQCOJJZ-AWEZNQCLSA-N 0 0 254.732 3.883 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1NCc1cnccn1 ZINC000054765457 527680379 /nfs/dbraw/zinc/68/03/79/527680379.db2.gz IBTQGXHWBDKNFJ-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN CC1(c2nc(CC3CCCCC3)no2)CCC(=O)CC1 ZINC000333824325 528064996 /nfs/dbraw/zinc/06/49/96/528064996.db2.gz KKHRRUJKJRGWBQ-UHFFFAOYSA-N 0 0 276.380 3.593 10 0 CHAERN CC(C)Cc1nsc(N[C@@H](c2nccs2)C2CC2)n1 ZINC000302284151 528688889 /nfs/dbraw/zinc/68/88/89/528688889.db2.gz KYJMARVJQDWODH-LLVKDONJSA-N 0 0 294.449 3.756 10 0 CHAERN CC[C@@H](C)c1nc2c(Br)cccc2cc1NN ZINC000725268085 567924175 /nfs/dbraw/zinc/92/41/75/567924175.db2.gz JAOLDELKYOKKPE-MRVPVSSYSA-N 0 0 294.196 3.796 10 0 CHAERN CC(C)(C)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243186 570254994 /nfs/dbraw/zinc/25/49/94/570254994.db2.gz ODFVBJRGBDCYAN-UHFFFAOYSA-N 0 0 265.788 3.978 10 0 CHAERN Cc1c(N)cc(-c2cccnc2)cc1C(F)(F)F ZINC000675080490 566822187 /nfs/dbraw/zinc/82/21/87/566822187.db2.gz RSWBVQCQMDYDEW-UHFFFAOYSA-N 0 0 252.239 3.658 10 0 CHAERN Cc1cccc2c3c(ccc12)[C@@]1(C[C@H](C)CO1)OC3=O ZINC000013431697 567019612 /nfs/dbraw/zinc/01/96/12/567019612.db2.gz DNLNYCCHXAULQA-DYZYQPBXSA-N 0 0 268.312 3.528 10 0 biogenic,in-vitro CHAERN C[C@H](NC(=O)c1ccc(F)cc1)C1C(C)(C)C1(C)C ZINC000032105421 567087423 /nfs/dbraw/zinc/08/74/23/567087423.db2.gz UHNSDEQDTYLKBB-JTQLQIEISA-N 0 0 263.356 3.626 10 0 CHAERN N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC000135825429 567092426 /nfs/dbraw/zinc/09/24/26/567092426.db2.gz CMRVMNOQKHSGFC-VIFPVBQESA-N 0 0 263.555 3.538 10 0 CHAERN Oc1cc2cccc(Br)c2nc1C(F)F ZINC000685963579 567210628 /nfs/dbraw/zinc/21/06/28/567210628.db2.gz SXIQATUKMXTCAF-UHFFFAOYSA-N 0 0 274.064 3.641 10 0 CHAERN CC(=O)c1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000058826108 567217995 /nfs/dbraw/zinc/21/79/95/567217995.db2.gz KFLJMVWKHNHQRW-JTQLQIEISA-N 0 0 251.757 3.779 10 0 CHAERN Cc1ccc(Sc2cc(C)nc(NC3CC3)n2)cc1 ZINC000058825845 567218029 /nfs/dbraw/zinc/21/80/29/567218029.db2.gz SSCWCACQYDMICH-UHFFFAOYSA-N 0 0 271.389 3.819 10 0 CHAERN CC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000033435583 567861140 /nfs/dbraw/zinc/86/11/40/567861140.db2.gz SIVTZDUTDMOEMT-UHFFFAOYSA-N 0 0 255.361 3.684 10 0 CHAERN Cc1ccc(NC(=O)OC(C)(C)C)c2c1NCCC2 ZINC000019408131 567877860 /nfs/dbraw/zinc/87/78/60/567877860.db2.gz ZFVPOHVXQAUDCR-UHFFFAOYSA-N 0 0 262.353 3.700 10 0 CHAERN Fc1cccc(C=C(Br)Br)c1 ZINC000075421024 567882575 /nfs/dbraw/zinc/88/25/75/567882575.db2.gz WEKYBTNENFEUME-UHFFFAOYSA-N 0 0 279.934 3.914 10 0 CHAERN O=c1cccc2sc(-c3ccccc3)cc(O)c1-2 ZINC000026151580 567882889 /nfs/dbraw/zinc/88/28/89/567882889.db2.gz ZXQWYAPWKRHDQV-UHFFFAOYSA-N 0 0 254.310 3.634 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000036722610 567889736 /nfs/dbraw/zinc/88/97/36/567889736.db2.gz WMOKEFOPBRRXKH-UHFFFAOYSA-N 0 0 275.217 3.942 10 0 CHAERN COc1ccc2c(c1)c(C=O)cn2Cc1ccc(F)cc1 ZINC000041440554 567891419 /nfs/dbraw/zinc/89/14/19/567891419.db2.gz LVKDSIKYUDTUPH-UHFFFAOYSA-N 0 0 283.302 3.650 10 0 CHAERN Clc1cccc(CNCc2nc3ccccc3[nH]2)c1 ZINC000043258206 567892400 /nfs/dbraw/zinc/89/24/00/567892400.db2.gz WDVPNDAFVKSDKK-UHFFFAOYSA-N 0 0 271.751 3.506 10 0 CHAERN Fc1cccc(Cl)c1CNCc1nc2ccccc2[nH]1 ZINC000048409076 567892707 /nfs/dbraw/zinc/89/27/07/567892707.db2.gz QEHNHWDOGIAOOA-UHFFFAOYSA-N 0 0 289.741 3.645 10 0 CHAERN Cc1c(Br)c(-c2cccnc2)nn1C(C)C ZINC000409443149 567899788 /nfs/dbraw/zinc/89/97/88/567899788.db2.gz HTPMMKFHSRPZHD-UHFFFAOYSA-N 0 0 280.169 3.597 10 0 CHAERN CC(C)(C)c1nnc(CSCC[Si](C)(C)C)o1 ZINC000725244820 567908143 /nfs/dbraw/zinc/90/81/43/567908143.db2.gz BOCRUUMGDDEWFQ-UHFFFAOYSA-N 0 0 272.490 3.939 10 0 CHAERN CC(C)(C)Cc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725245943 567908153 /nfs/dbraw/zinc/90/81/53/567908153.db2.gz NAHBHZUCSFOJAV-UHFFFAOYSA-N 0 0 263.772 3.849 10 0 CHAERN CCCn1c(C)nnc1CSCC[Si](C)(C)C ZINC000725245970 567908344 /nfs/dbraw/zinc/90/83/44/567908344.db2.gz ORYHMJBJLLIRBQ-UHFFFAOYSA-N 0 0 271.506 3.568 10 0 CHAERN Cc1cccc2c1NC[C@H](C)[C@@H]2CC(=O)OC(C)(C)C ZINC000725253703 567911360 /nfs/dbraw/zinc/91/13/60/567911360.db2.gz FWQFCTTXQBGXJE-JSGCOSHPSA-N 0 0 275.392 3.872 10 0 CHAERN CCCCO[C@H](C)OCC(F)(F)[C@H](F)C(F)(F)F ZINC000098210583 567911612 /nfs/dbraw/zinc/91/16/12/567911612.db2.gz MHWJJEAAUALWDP-YUMQZZPRSA-N 0 0 282.224 3.701 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1C[C@H](C(C)(C)C)CC2 ZINC000725260936 567917244 /nfs/dbraw/zinc/91/72/44/567917244.db2.gz ZVORGDWZFJLMEZ-SECBINFHSA-N 0 0 281.783 3.673 10 0 CHAERN CC(C)[C@@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265479 567923282 /nfs/dbraw/zinc/92/32/82/567923282.db2.gz GTLIVFBFRWRTPN-GFCCVEGCSA-N 0 0 258.340 3.977 10 0 CHAERN CCn1cc(C(F)F)c(-c2cccnc2Cl)n1 ZINC000725271060 567924844 /nfs/dbraw/zinc/92/48/44/567924844.db2.gz WCEIGIFLBFRHSP-UHFFFAOYSA-N 0 0 257.671 3.556 10 0 CHAERN Cc1ccccc1Oc1cc(N2CCCCCC2)ncn1 ZINC000037623894 567928438 /nfs/dbraw/zinc/92/84/38/567928438.db2.gz ARWPLCSGSRDSTJ-UHFFFAOYSA-N 0 0 283.375 3.958 10 0 CHAERN Cc1cc2ccc(Br)cc2c(Cl)n1 ZINC000122286353 567933830 /nfs/dbraw/zinc/93/38/30/567933830.db2.gz LUHCNYDJDGUOSE-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN COc1ccc(NCc2cn(C)c3ccccc23)cc1 ZINC000001414788 567937212 /nfs/dbraw/zinc/93/72/12/567937212.db2.gz CRFZUPUKMJSONF-UHFFFAOYSA-N 0 0 266.344 3.799 10 0 CHAERN CC(C)(C)c1cc2nc(C(F)F)nn2c(Cl)c1 ZINC000725243133 570255149 /nfs/dbraw/zinc/25/51/49/570255149.db2.gz LVZAENKLYALCEU-UHFFFAOYSA-N 0 0 259.687 3.618 10 0 CHAERN CCc1nc2cc(C3CCCC3)cc(Br)n2n1 ZINC000725248450 570256049 /nfs/dbraw/zinc/25/60/49/570256049.db2.gz VFYWZGVYVJUMNV-UHFFFAOYSA-N 0 0 294.196 3.712 10 0 CHAERN CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC1 ZINC000675059164 570365388 /nfs/dbraw/zinc/36/53/88/570365388.db2.gz AJASNCMSFPRBMJ-GQKFXUNGSA-N 0 0 281.440 3.539 10 0 CHAERN Cc1cc(-c2ccccc2N(C)C)c(C)cc1C=O ZINC000675073173 570366907 /nfs/dbraw/zinc/36/69/07/570366907.db2.gz UCZVOSAPNSCDHH-UHFFFAOYSA-N 0 0 253.345 3.849 10 0 CHAERN CCCC(=O)[C@@H]1Cc2c(c(Cl)ccc2Cl)O1 ZINC000675080382 570368813 /nfs/dbraw/zinc/36/88/13/570368813.db2.gz CSRWTKLXYSOPCE-NSHDSACASA-N 0 0 259.132 3.666 10 0 CHAERN CCN(CC)Cc1nc(Cl)c2c(n1)CC[C@H](C(C)C)C2 ZINC000616569976 570408698 /nfs/dbraw/zinc/40/86/98/570408698.db2.gz ZBZMPLBRHFXXJF-LBPRGKRZSA-N 0 0 295.858 3.733 10 0 CHAERN CC[C@H]1[C@@H](C)CNc2c(Br)c(C(C)C)nn21 ZINC000234078168 570411538 /nfs/dbraw/zinc/41/15/38/570411538.db2.gz PNARRIZHJRWUIF-IUCAKERBSA-N 0 0 286.217 3.782 10 0 CHAERN Fc1ccc(-c2c3nccnc3[nH]c2-c2ccncc2)cc1 ZINC000013528360 581098398 /nfs/dbraw/zinc/09/83/98/581098398.db2.gz LXTFKKVJJMDQNR-UHFFFAOYSA-N 0 0 290.301 3.826 10 0 CHAERN C[C@H](C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)CC(C)(C)C ZINC000715777954 977784470 /nfs/dbraw/zinc/78/44/70/977784470.db2.gz DMBYBLDLTWGILM-JJRVBVJISA-N 0 0 281.440 3.636 10 0 CHAERN CSCCCCCOC(=O)/C=C\c1cccs1 ZINC000588448766 1118788249 /nfs/dbraw/zinc/78/82/49/1118788249.db2.gz BDISKXKMQYAXPW-FPLPWBNLSA-N 0 0 270.419 3.838 10 0 CHAERN COc1ccc2c(CC(=O)Nc3ccccc3C)coc2c1 ZINC000003481372 1126953656 /nfs/dbraw/zinc/95/36/56/1126953656.db2.gz NFIVYXIXOGLITK-UHFFFAOYSA-N 0 0 295.338 3.931 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000366479436 1127746689 /nfs/dbraw/zinc/74/66/89/1127746689.db2.gz NNJWMTVUAHENOQ-SWLSCSKDSA-N 0 0 261.340 3.539 10 0 CHAERN Cc1ccsc1COC(=O)/C=C\c1cccs1 ZINC000588395067 1118524107 /nfs/dbraw/zinc/52/41/07/1118524107.db2.gz DNVWYEICEJBTKX-PLNGDYQASA-N 0 0 264.371 3.875 10 0 CHAERN Fc1cccc([C@H](NC/C=C\Cl)C(F)(F)F)c1F ZINC000588427062 1118681577 /nfs/dbraw/zinc/68/15/77/1118681577.db2.gz UDAMTWYEWBEPDL-ODTOEKCJSA-N 0 0 285.643 3.910 10 0 CHAERN C/C=C(/C)C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000588427587 1118694420 /nfs/dbraw/zinc/69/44/20/1118694420.db2.gz MQJJZJXOMFIVJX-AGKVCYSUSA-N 0 0 257.377 3.586 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCCC(=O)N2)n1 ZINC000328876926 1118752176 /nfs/dbraw/zinc/75/21/76/1118752176.db2.gz KIMPRWUFKAFNOK-GRYCIOLGSA-N 0 0 277.368 3.935 10 0 CHAERN CCC(CC)CN(CC)C(=O)/C=C\c1ncccc1C ZINC000588451784 1118798394 /nfs/dbraw/zinc/79/83/94/1118798394.db2.gz ZJFYWGWBHXTLKF-KHPPLWFESA-N 0 0 274.408 3.688 10 0 CHAERN Cc1cccc(C(C)(C)NC(=O)/C=C\c2ncccc2C)c1 ZINC000588453073 1118799291 /nfs/dbraw/zinc/79/92/91/1118799291.db2.gz BVVKKAPCZLIZJF-KHPPLWFESA-N 0 0 294.398 3.763 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Oc1c(F)cccc1Cl ZINC000588453832 1118799687 /nfs/dbraw/zinc/79/96/87/1118799687.db2.gz IIHHLVQUJXGYDP-FPLPWBNLSA-N 0 0 291.709 3.801 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N(C)C1CCC(C)(C)CC1 ZINC000588453903 1118799830 /nfs/dbraw/zinc/79/98/30/1118799830.db2.gz UFECESPHLJVTAF-FPLPWBNLSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OC/C=C/c1ccccc1 ZINC000588455233 1118801949 /nfs/dbraw/zinc/80/19/49/1118801949.db2.gz KYVBFRKLMAGXGS-UVCZLPLXSA-N 0 0 279.339 3.660 10 0 CHAERN CCc1ccc(CCOC(=O)/C=C\c2cccs2)nc1 ZINC000588467215 1118842234 /nfs/dbraw/zinc/84/22/34/1118842234.db2.gz QGTLMQOFFWDWPA-FPLPWBNLSA-N 0 0 287.384 3.505 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)Nc1cccc(F)n1 ZINC000588474963 1118899048 /nfs/dbraw/zinc/89/90/48/1118899048.db2.gz OOVHHUZOTQEKHJ-HJWRWDBZSA-N 0 0 276.698 3.526 10 0 CHAERN CC1(COC(=O)/C=C\c2ccccc2Cl)CCOCC1 ZINC000588510552 1119046708 /nfs/dbraw/zinc/04/67/08/1119046708.db2.gz OXFUFYOBMDKBFK-SREVYHEPSA-N 0 0 294.778 3.713 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H]1CCOc2c(C)cccc21 ZINC000588574225 1119334309 /nfs/dbraw/zinc/33/43/09/1119334309.db2.gz GXPWDQLTLBSHTQ-BMOGTNHUSA-N 0 0 287.403 3.927 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)OCc1cc(C)sn1 ZINC000588600034 1119529738 /nfs/dbraw/zinc/52/97/38/1119529738.db2.gz OIDNBMNDEQCTED-YFHOEESVSA-N 0 0 291.347 3.737 10 0 CHAERN Clc1sccc1NC1CCN(c2ccccn2)CC1 ZINC000373690247 1119993658 /nfs/dbraw/zinc/99/36/58/1119993658.db2.gz RPOXTPLHXVZHNV-UHFFFAOYSA-N 0 0 293.823 3.877 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N(C)Cc1ccc(F)cc1 ZINC000588495872 1120090033 /nfs/dbraw/zinc/09/00/33/1120090033.db2.gz RZAVYOQDGLUVOF-BENRWUELSA-N 0 0 263.356 3.777 10 0 CHAERN O=Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000189257062 1120479564 /nfs/dbraw/zinc/47/95/64/1120479564.db2.gz OESGFONVEUCZCE-UHFFFAOYSA-N 0 0 299.395 3.580 10 0 CHAERN Cc1cc(F)ccc1C(=O)N1CCC[C@H]1c1nccs1 ZINC000364227816 1120510822 /nfs/dbraw/zinc/51/08/22/1120510822.db2.gz QVALYKQJNUKVAX-ZDUSSCGKSA-N 0 0 290.363 3.568 10 0 CHAERN COc1ccc(SCC(=O)OC[C@H]2CC=CCC2)cc1 ZINC000104879668 1120878194 /nfs/dbraw/zinc/87/81/94/1120878194.db2.gz UZWBHNQLWVBYLP-ZDUSSCGKSA-N 0 0 292.400 3.687 10 0 CHAERN C[C@H]1CC(c2noc(-c3cccnc3)n2)C[C@H](C)C1 ZINC000408225190 1120948685 /nfs/dbraw/zinc/94/86/85/1120948685.db2.gz IXRBFOFHXVSHGA-GHMZBOCLSA-N 0 0 257.337 3.671 10 0 CHAERN O=C(c1cccc(F)c1F)N1CCCC12CCCC2 ZINC000311697024 1120959994 /nfs/dbraw/zinc/95/99/94/1120959994.db2.gz TYALZAPSDDHTRB-UHFFFAOYSA-N 0 0 265.303 3.514 10 0 CHAERN Cc1sc2nc(C)nc(NCc3ccncc3)c2c1C ZINC000001347691 1121010093 /nfs/dbraw/zinc/01/00/93/1121010093.db2.gz QOTMHVLCAAIEKH-UHFFFAOYSA-N 0 0 284.388 3.624 10 0 CHAERN CC[C@H](C)n1ncc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1C ZINC000408351674 1121138268 /nfs/dbraw/zinc/13/82/68/1121138268.db2.gz HJICGXWVFQOBAT-NJZAAPMLSA-N 0 0 290.411 3.569 10 0 CHAERN CC(C)C(=O)Nc1ccc(NCc2ccccc2)cc1 ZINC000000575666 1121258132 /nfs/dbraw/zinc/25/81/32/1121258132.db2.gz DTTXWTPUUHZXHU-UHFFFAOYSA-N 0 0 268.360 3.893 10 0 CHAERN CC(=O)c1cccc(OC(=O)C2CCCCCC2)c1 ZINC000101808281 1122856786 /nfs/dbraw/zinc/85/67/86/1122856786.db2.gz WBZKUHHDCUGELY-UHFFFAOYSA-N 0 0 260.333 3.765 10 0 CHAERN CSc1ccc(OC(=O)c2cccc(F)c2F)cc1 ZINC000102219751 1122897536 /nfs/dbraw/zinc/89/75/36/1122897536.db2.gz ZVXRNBVCDBPYAC-UHFFFAOYSA-N 0 0 280.295 3.906 10 0 CHAERN O=C(Oc1ccccc1OC(F)F)c1cccc(Cl)n1 ZINC000105981944 1123095738 /nfs/dbraw/zinc/09/57/38/1123095738.db2.gz ZPYAWDBTZUOZGU-UHFFFAOYSA-N 0 0 299.660 3.556 10 0 CHAERN O=C(c1csc(C2CCCCC2)n1)N1C[C@H]2CCC[C@@H]21 ZINC000334578426 1123263063 /nfs/dbraw/zinc/26/30/63/1123263063.db2.gz JZPBVXNDEWGUMI-OCCSQVGLSA-N 0 0 290.432 3.815 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)N1Cc2ccc(Cl)cc2C1 ZINC000335127711 1123305830 /nfs/dbraw/zinc/30/58/30/1123305830.db2.gz APJYZCVXXAOCNZ-YGRLFVJLSA-N 0 0 263.768 3.618 10 0 CHAERN Cc1cnc(-c2noc([C@@H]3CCC[C@@H]4CCCC[C@H]34)n2)nc1 ZINC000329633487 1123635487 /nfs/dbraw/zinc/63/54/87/1123635487.db2.gz XEYXKYDWQLLKAZ-MELADBBJSA-N 0 0 298.390 3.909 10 0 CHAERN CC[C@@H]1CC[C@H](c2nc(CO[C@@H]3CCCC[C@H]3C)no2)O1 ZINC000329703577 1123648022 /nfs/dbraw/zinc/64/80/22/1123648022.db2.gz IKESLIRMOFYETK-AAVRWANBSA-N 0 0 294.395 3.795 10 0 CHAERN Cc1ccc(Cc2nc(C3C[C@@H](C)C[C@H](C)C3)no2)cn1 ZINC000329732523 1123651679 /nfs/dbraw/zinc/65/16/79/1123651679.db2.gz QGHMRWMQVMAEPW-RYUDHWBXSA-N 0 0 285.391 3.904 10 0 CHAERN CC(C)c1nccc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)n1 ZINC000302829531 1123985594 /nfs/dbraw/zinc/98/55/94/1123985594.db2.gz PIDYUZHXRUWKJC-NSHDSACASA-N 0 0 298.342 3.805 10 0 CHAERN Cc1sc2ncnc(SCc3ccccn3)c2c1C ZINC000000415451 1124561096 /nfs/dbraw/zinc/56/10/96/1124561096.db2.gz KAPPOJQZOFLREW-UHFFFAOYSA-N 0 0 287.413 3.995 10 0 CHAERN Cc1cc(CN2CCC[C@H](c3cc(F)ccc3F)C2)on1 ZINC000191685282 1125327285 /nfs/dbraw/zinc/32/72/85/1125327285.db2.gz ZFKFOMRJTBCNDS-LBPRGKRZSA-N 0 0 292.329 3.641 10 0 CHAERN Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 ZINC000095576717 185011370 /nfs/dbraw/zinc/01/13/70/185011370.db2.gz XXXPSYBQNILIFB-UHFFFAOYSA-N 0 0 254.337 3.726 10 0 CHAERN Cc1ccc(C2(O)CCCC2)c(Br)c1 ZINC000095616760 185016063 /nfs/dbraw/zinc/01/60/63/185016063.db2.gz NFOAPWOMCAQYJP-UHFFFAOYSA-N 0 0 255.155 3.519 10 0 CHAERN O=C(c1ccc(F)cc1)c1ccc2[nH]c(Cl)nc2c1 ZINC000095616788 185016707 /nfs/dbraw/zinc/01/67/07/185016707.db2.gz JGRUALNZTQXGHP-UHFFFAOYSA-N 0 0 274.682 3.586 10 0 CHAERN CC(C)(C)Oc1ccnc(Br)c1OC1CC1 ZINC000095713328 185018703 /nfs/dbraw/zinc/01/87/03/185018703.db2.gz HOPPKVJGOCAHIF-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)(C)c1ncc(OC2CC2)cc1Br ZINC000095719724 185019181 /nfs/dbraw/zinc/01/91/81/185019181.db2.gz ZORFAFAYXZANOK-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1cc(OC2CC2)cc(Br)n1 ZINC000095722151 185019738 /nfs/dbraw/zinc/01/97/38/185019738.db2.gz QSZRJKSOLHPBBV-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)Oc1nc(Br)ccc1OC1CC1 ZINC000095724927 185020477 /nfs/dbraw/zinc/02/04/77/185020477.db2.gz NQLKQWGUVDPJEO-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CCCc1nc(Cl)cc(NCc2ccc(F)cc2)n1 ZINC000082509813 178076896 /nfs/dbraw/zinc/07/68/96/178076896.db2.gz HAXLZJPNMLXQRC-UHFFFAOYSA-N 0 0 279.746 3.834 10 0 CHAERN Cc1c(Cl)ncnc1-c1ccc2cccnc2c1 ZINC000124620055 187145964 /nfs/dbraw/zinc/14/59/64/187145964.db2.gz GOAOPCQMDNEJSS-UHFFFAOYSA-N 0 0 255.708 3.654 10 0 CHAERN COc1cc2nc(Cl)cc(Cl)c2c(OC)c1 ZINC000095831289 185029977 /nfs/dbraw/zinc/02/99/77/185029977.db2.gz RAWSVNPTMQTYNN-UHFFFAOYSA-N 0 0 258.104 3.559 10 0 CHAERN CC(C)n1c2ccccc2nc1Cc1cccc(N)c1 ZINC000082572776 178111057 /nfs/dbraw/zinc/11/10/57/178111057.db2.gz UJTPTBHRFBDEBS-UHFFFAOYSA-N 0 0 265.360 3.790 10 0 CHAERN Cc1csc(Cc2ccccc2Br)n1 ZINC000082574192 178114420 /nfs/dbraw/zinc/11/44/20/178114420.db2.gz VDRRBTZBFZOIFX-UHFFFAOYSA-N 0 0 268.179 3.805 10 0 CHAERN Cc1ccc(OC(=S)c2cc(C)nc(Cl)n2)cc1 ZINC000095932840 185032301 /nfs/dbraw/zinc/03/23/01/185032301.db2.gz IDBXVURLEKXCQD-UHFFFAOYSA-N 0 0 278.764 3.501 10 0 CHAERN O=C1CC[C@H](C(F)(F)F)N1c1cccc2ccccc21 ZINC000095930836 185032658 /nfs/dbraw/zinc/03/26/58/185032658.db2.gz JDDKJKYETIDTEJ-CYBMUJFWSA-N 0 0 279.261 3.898 10 0 CHAERN O=C1CCCC[C@@H](C(F)(F)F)N1c1ccccc1 ZINC000095930776 185032912 /nfs/dbraw/zinc/03/29/12/185032912.db2.gz MYUVADPVCRERST-NSHDSACASA-N 0 0 257.255 3.525 10 0 CHAERN COc1ccc2c(Cl)cc(-c3ccccn3)nc2c1 ZINC000095935596 185033436 /nfs/dbraw/zinc/03/34/36/185033436.db2.gz IIROUZTYLUKVPX-UHFFFAOYSA-N 0 0 270.719 3.959 10 0 CHAERN C/C=C/Oc1nn(Cc2ccccc2)c2ccccc21 ZINC000095934681 185033605 /nfs/dbraw/zinc/03/36/05/185033605.db2.gz FDLLLGFTKUUEAT-SWGQDTFXSA-N 0 0 264.328 3.997 10 0 CHAERN C[C@@H]1C[C@H](c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C ZINC000095936325 185034018 /nfs/dbraw/zinc/03/40/18/185034018.db2.gz LSCFWKDIVOBNKW-TZMCWYRMSA-N 0 0 290.407 3.772 10 0 CHAERN C[C@H]1C[C@@H](c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C ZINC000095936328 185034472 /nfs/dbraw/zinc/03/44/72/185034472.db2.gz LSCFWKDIVOBNKW-JSGCOSHPSA-N 0 0 290.407 3.772 10 0 CHAERN Brc1ccc2ncc(-c3ccccc3)n2c1 ZINC000082694825 178190052 /nfs/dbraw/zinc/19/00/52/178190052.db2.gz DXSBISVNFDTTFY-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN C[C@@H](Nc1ccc(F)c(Br)c1)C1CC1 ZINC000096034204 185068630 /nfs/dbraw/zinc/06/86/30/185068630.db2.gz MHIARMAMCXLSPK-SSDOTTSWSA-N 0 0 258.134 3.799 10 0 CHAERN Nc1cc(F)cc2c1ccnc2NCc1ccccc1 ZINC000082754171 178278378 /nfs/dbraw/zinc/27/83/78/178278378.db2.gz MNWVWQAXEYNBFK-UHFFFAOYSA-N 0 0 267.307 3.568 10 0 CHAERN Cc1cc(Br)c2c(Cl)ccc(O)c2n1 ZINC000082788691 178294350 /nfs/dbraw/zinc/29/43/50/178294350.db2.gz FUKONRLCGMPCPG-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN Cc1cc(CNc2cnccc2Cl)ccc1F ZINC000083383921 178387321 /nfs/dbraw/zinc/38/73/21/178387321.db2.gz ODYKNNMOMWRJSS-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN Nc1ccc(NCCc2cccc(Cl)c2)c(F)c1 ZINC000083251239 178369534 /nfs/dbraw/zinc/36/95/34/178369534.db2.gz PJTVXDWCGYEDKO-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Clc1ccncc1NCc1cccc2cc[nH]c21 ZINC000083429315 178434148 /nfs/dbraw/zinc/43/41/48/178434148.db2.gz OZAONLUMDRQAJG-UHFFFAOYSA-N 0 0 257.724 3.828 10 0 CHAERN O=Cc1cncc(-c2cc(Cl)ccc2Cl)c1 ZINC000096960056 185142549 /nfs/dbraw/zinc/14/25/49/185142549.db2.gz GZSRCOVKRLONTF-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN O=C(Cc1ccc2ccccc2n1)c1ccc(O)cc1O ZINC000100916841 185730024 /nfs/dbraw/zinc/73/00/24/185730024.db2.gz JXBOAZVVECZNPW-SXGWCWSVSA-N 0 0 279.295 3.702 10 0 CHAERN CC(C)Cn1c(N)c(-c2ccccc2)nc1C(C)C ZINC000103500978 185845457 /nfs/dbraw/zinc/84/54/57/185845457.db2.gz XTWUWCGLYBHAIQ-UHFFFAOYSA-N 0 0 257.381 3.912 10 0 CHAERN CC(C)[C@@H](c1nc(-c2ccccc2Cl)no1)[C@H](C)O ZINC000104057340 185887679 /nfs/dbraw/zinc/88/76/79/185887679.db2.gz OJNVDJJBWZYTGA-JOYOIKCWSA-N 0 0 280.755 3.510 10 0 CHAERN Cc1cccc([C@@H](O)Cc2csc3ccccc23)n1 ZINC000104212823 185932651 /nfs/dbraw/zinc/93/26/51/185932651.db2.gz WIHFULHJKGTMIM-HNNXBMFYSA-N 0 0 269.369 3.881 10 0 CHAERN CCc1c(Cl)ncnc1N[C@@H](C)c1sc(C)nc1C ZINC000104215537 185933354 /nfs/dbraw/zinc/93/33/54/185933354.db2.gz UTALENYANBYVDB-QMMMGPOBSA-N 0 0 296.827 3.939 10 0 CHAERN CCc1c(Cl)ncnc1O[C@H]1CCCC[C@@H]1C ZINC000104221246 185935504 /nfs/dbraw/zinc/93/55/04/185935504.db2.gz MZTYIJFBJPJQRG-ONGXEEELSA-N 0 0 254.761 3.650 10 0 CHAERN COc1cc(Oc2ccc(Br)cc2)ccc1N ZINC000104250744 185944565 /nfs/dbraw/zinc/94/45/65/185944565.db2.gz SEMLUSVWHVVNJE-UHFFFAOYSA-N 0 0 294.148 3.832 10 0 CHAERN CSc1ccccc1Oc1cc(Cl)nc(C)n1 ZINC000104327927 185970803 /nfs/dbraw/zinc/97/08/03/185970803.db2.gz XQVGZDDVZCHYCB-UHFFFAOYSA-N 0 0 266.753 3.953 10 0 CHAERN CSc1ccccc1OCc1ccccc1C(N)=S ZINC000104336794 185975049 /nfs/dbraw/zinc/97/50/49/185975049.db2.gz LGCYMSFTGLATIT-UHFFFAOYSA-N 0 0 289.425 3.622 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)CC2)c(F)c1 ZINC000104367329 185986636 /nfs/dbraw/zinc/98/66/36/185986636.db2.gz XROTUMOQAAMPAL-VXGBXAGGSA-N 0 0 251.345 3.505 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(OC)cc1CO ZINC000104385103 185987861 /nfs/dbraw/zinc/98/78/61/185987861.db2.gz UIJOBXKEFYAQSI-WFASDCNBSA-N 0 0 264.365 3.535 10 0 CHAERN C[C@@H]1CCC[C@H](Sc2ncc(Br)cn2)C1 ZINC000104384578 185988173 /nfs/dbraw/zinc/98/81/73/185988173.db2.gz MUYBKOIFXYVQGJ-SCZZXKLOSA-N 0 0 287.226 3.910 10 0 CHAERN CCN(c1ccccc1C)c1ncc(Br)cn1 ZINC000104383108 185988563 /nfs/dbraw/zinc/98/85/63/185988563.db2.gz KPGZHARPNLGXOV-UHFFFAOYSA-N 0 0 292.180 3.706 10 0 CHAERN CC[C@H]1CCCC[C@H]1Oc1ccc(CC(N)=S)cc1 ZINC000104390311 185989121 /nfs/dbraw/zinc/98/91/21/185989121.db2.gz HDMFYEPGDMBHMX-DZGCQCFKSA-N 0 0 277.433 3.863 10 0 CHAERN Cc1cc2c(c(C)c1Br)[C@H](C)[C@@H](C)O2 ZINC000090411874 179982792 /nfs/dbraw/zinc/98/27/92/179982792.db2.gz UKBMCTOSVDSVJB-VXNVDRBHSA-N 0 0 255.155 3.950 10 0 CHAERN CN1CC[C@H](c2ccccc2Sc2ccccc2)C(=O)C1 ZINC000090504916 179994708 /nfs/dbraw/zinc/99/47/08/179994708.db2.gz ZIGJHOMQUFMEJS-OAHLLOKOSA-N 0 0 297.423 3.826 10 0 CHAERN Brc1ccc2c(c1)C(c1ccccc1)=NCC2 ZINC000090549811 180003060 /nfs/dbraw/zinc/00/30/60/180003060.db2.gz KSGOYFHPNGXRMX-UHFFFAOYSA-N 0 0 286.172 3.843 10 0 CHAERN CCC(CC)[C@@H](C)NC(=O)c1cc(C)ccc1F ZINC000104439596 186002373 /nfs/dbraw/zinc/00/23/73/186002373.db2.gz LFYKDUBIUYGHBB-LLVKDONJSA-N 0 0 251.345 3.689 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(-c2cccc(N)c2)ccn1 ZINC000090636349 180017381 /nfs/dbraw/zinc/01/73/81/180017381.db2.gz VWMAGGCUKSBIBL-UHFFFAOYSA-N 0 0 285.347 3.678 10 0 CHAERN C[C@@H](Cc1cc(N)n(-c2ccccc2)n1)C(C)(C)C ZINC000104444117 186004420 /nfs/dbraw/zinc/00/44/20/186004420.db2.gz QMBMTDBOZUXQTD-LBPRGKRZSA-N 0 0 257.381 3.679 10 0 CHAERN Brc1ccc2c(c1)onc2-c1nccs1 ZINC000091303453 180130544 /nfs/dbraw/zinc/13/05/44/180130544.db2.gz PWYNDEKVSGXALI-UHFFFAOYSA-N 0 0 281.134 3.714 10 0 CHAERN Clc1ccnc(OCc2ccccc2Cl)c1 ZINC000091362013 180141500 /nfs/dbraw/zinc/14/15/00/180141500.db2.gz CXDHFCRWCORRJS-UHFFFAOYSA-N 0 0 254.116 3.967 10 0 CHAERN Brc1ccc(-c2cnc3ccccn32)cc1 ZINC000091691889 180228246 /nfs/dbraw/zinc/22/82/46/180228246.db2.gz MZKVSKQKHUIURD-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN COC(=O)c1c(Cl)c2ccccc2nc1C(F)(F)F ZINC000091691762 180228322 /nfs/dbraw/zinc/22/83/22/180228322.db2.gz HEBLWGBSPBNOBC-UHFFFAOYSA-N 0 0 289.640 3.694 10 0 CHAERN CCOc1cc(-c2nc(Cl)cc(Cl)n2)ccc1O ZINC000110619129 186305556 /nfs/dbraw/zinc/30/55/56/186305556.db2.gz CONPVMKFLZGFPC-UHFFFAOYSA-N 0 0 285.130 3.555 10 0 CHAERN Cc1c(Br)cc([C@H](C)O)cc1Br ZINC000299890422 200883695 /nfs/dbraw/zinc/88/36/95/200883695.db2.gz ZNESJZDYPGIQTO-LURJTMIESA-N 0 0 293.986 3.573 10 0 CHAERN Fc1cccc(-c2cn3cc(Br)sc3n2)c1 ZINC000039325783 184545816 /nfs/dbraw/zinc/54/58/16/184545816.db2.gz IQFWROVHFGFOMY-UHFFFAOYSA-N 0 0 297.152 3.964 10 0 CHAERN CCCn1c2ccc(OC)cc2nc1-c1ccc(N)cc1 ZINC000074297720 184580360 /nfs/dbraw/zinc/58/03/60/184580360.db2.gz MDUJQYXZOGXCRP-UHFFFAOYSA-N 0 0 281.359 3.704 10 0 CHAERN Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1 ZINC000081589761 177826357 /nfs/dbraw/zinc/82/63/57/177826357.db2.gz XCBLDBOTNKWYNA-UHFFFAOYSA-N 0 0 270.723 3.609 10 0 CHAERN C[C@@H]1CCCC[C@@]1(O)c1ccccc1Br ZINC000521402098 256845335 /nfs/dbraw/zinc/84/53/35/256845335.db2.gz YKCOSZVRPACSNL-MFKMUULPSA-N 0 0 269.182 3.847 10 0 CHAERN O=C1CCC(c2nc(C(C3CCC3)C3CCC3)no2)CC1 ZINC000313768294 227375057 /nfs/dbraw/zinc/37/50/57/227375057.db2.gz WOPIGEAKHQOREU-UHFFFAOYSA-N 0 0 288.391 3.980 10 0 CHAERN O=C(N[C@@H]1CC=CCC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000179549882 260054870 /nfs/dbraw/zinc/05/48/70/260054870.db2.gz GTCCRIJCTFRYTI-ZBFHGGJFSA-N 0 0 288.366 3.611 10 0 CHAERN CC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1 ZINC000095082569 184937929 /nfs/dbraw/zinc/93/79/29/184937929.db2.gz HPNHFQKSGXLZKK-UHFFFAOYSA-N 0 0 250.338 3.531 10 0 CHAERN O=C(OCC(F)(F)F)c1cccc2ccccc21 ZINC000001615217 169725613 /nfs/dbraw/zinc/72/56/13/169725613.db2.gz LYUBWOFARTYQPR-UHFFFAOYSA-N 0 0 254.207 3.559 10 0 CHAERN C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)C1CCC1 ZINC000301823485 533569540 /nfs/dbraw/zinc/56/95/40/533569540.db2.gz HVAQRLWYYYPKNN-SECBINFHSA-N 0 0 278.425 3.689 10 0 CHAERN CC[C@@H](CC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000171464371 335066415 /nfs/dbraw/zinc/06/64/15/335066415.db2.gz SMNUHMXSASRTGK-YOEHRIQHSA-N 0 0 295.382 3.820 10 0 CHAERN CC[C@H]1CCCN(c2cc(Br)ccc2C=O)C1 ZINC000036169927 134808206 /nfs/dbraw/zinc/80/82/06/134808206.db2.gz SQVKVMGDIYVUFK-NSHDSACASA-N 0 0 296.208 3.888 10 0 CHAERN CCC(CC)C(=O)Nc1ccc(N2CCC(C)CC2)nc1 ZINC000036356803 134820109 /nfs/dbraw/zinc/82/01/09/134820109.db2.gz IJAHDDXATZFCTB-UHFFFAOYSA-N 0 0 289.423 3.693 10 0 CHAERN Cc1cc(C)cc(CN2CCNc3ccccc32)c1 ZINC000038076860 134853955 /nfs/dbraw/zinc/85/39/55/134853955.db2.gz QKUAQUYEYLSNGL-UHFFFAOYSA-N 0 0 252.361 3.736 10 0 CHAERN O=C1Cc2c3cc(Cl)ccc3[nH]c2-c2ccccc2N1 ZINC000001856444 169760297 /nfs/dbraw/zinc/76/02/97/169760297.db2.gz OKMGGPIYQLLQFZ-UHFFFAOYSA-N 0 0 282.730 3.983 10 0 CHAERN CC(C)=Cc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000001942463 169764380 /nfs/dbraw/zinc/76/43/80/169764380.db2.gz XTOSUIOATTUGPQ-JTQLQIEISA-N 0 0 298.415 3.887 10 0 CHAERN CCN(C)c1cc(=O)c2cc(-c3ccccc3)ccc2o1 ZINC000002021542 169768098 /nfs/dbraw/zinc/76/80/98/169768098.db2.gz BCIAYWPWBWTFKN-UHFFFAOYSA-N 0 0 279.339 3.916 10 0 CHAERN Cc1sc(N)nc1-c1cn(C)c2cc(C)ccc12 ZINC000002200799 169781282 /nfs/dbraw/zinc/78/12/82/169781282.db2.gz NILCLELLYTXNLQ-UHFFFAOYSA-N 0 0 257.362 3.501 10 0 CHAERN CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1N ZINC000002541419 169806276 /nfs/dbraw/zinc/80/62/76/169806276.db2.gz WDTJSLTWNLUYAV-UHFFFAOYSA-N 0 0 281.764 3.827 10 0 CHAERN O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc2c(c1)OCO2 ZINC000003369347 169883274 /nfs/dbraw/zinc/88/32/74/169883274.db2.gz FQRJJMIUDWZEGS-LFYBBSHMSA-N 0 0 299.713 3.561 10 0 CHAERN Clc1nc(C23CC4CC(CC(C4)C2)C3)ns1 ZINC000004293701 169954500 /nfs/dbraw/zinc/95/45/00/169954500.db2.gz VLJAYBKIWUHGSK-UHFFFAOYSA-N 0 0 254.786 3.659 10 0 CHAERN COc1ccc([C@@H](C(C)C)n2nnc3ccccc32)cc1 ZINC000005285079 170082923 /nfs/dbraw/zinc/08/29/23/170082923.db2.gz KJNFDLYHKIGAQE-QGZVFWFLSA-N 0 0 281.359 3.685 10 0 CHAERN CCC(CC)(c1ccccc1)n1nnc2ccccc21 ZINC000005307609 170084815 /nfs/dbraw/zinc/08/48/15/170084815.db2.gz MKKOJLKGTGCLAA-UHFFFAOYSA-N 0 0 265.360 3.995 10 0 CHAERN Cc1ccc(NCC[C@H](C)n2nnc3ccccc32)cc1 ZINC000005330785 170086246 /nfs/dbraw/zinc/08/62/46/170086246.db2.gz CRUKYAWHXMFSGW-AWEZNQCLSA-N 0 0 280.375 3.803 10 0 CHAERN CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2)cc1 ZINC000005355384 170089032 /nfs/dbraw/zinc/08/90/32/170089032.db2.gz GHWOFLNXFQAIFV-UHFFFAOYSA-N 0 0 254.329 3.921 10 0 CHAERN CC(C)[C@@H](C)CC(C)(C)n1nnc(-c2ccccc2)n1 ZINC000005384549 170092901 /nfs/dbraw/zinc/09/29/01/170092901.db2.gz GUXXXIGTJJROBC-ZDUSSCGKSA-N 0 0 272.396 3.757 10 0 CHAERN CCCCCNC(=O)c1c(Cl)ccc(Cl)c1OC ZINC000005418593 170097202 /nfs/dbraw/zinc/09/72/02/170097202.db2.gz ASZCKFWHHVEOKJ-UHFFFAOYSA-N 0 0 290.190 3.922 10 0 CHAERN Cc1c[nH]c2nc(-c3ccc(Cl)cc3)cc(=O)c-2c1 ZINC000005503953 170105340 /nfs/dbraw/zinc/10/53/40/170105340.db2.gz VDNLPIIEPIALSM-UHFFFAOYSA-N 0 0 270.719 3.552 10 0 CHAERN CCCCOC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000005596902 170117746 /nfs/dbraw/zinc/11/77/46/170117746.db2.gz XSNOWBJGZVQXQT-UHFFFAOYSA-N 0 0 279.336 3.602 10 0 CHAERN Cc1ccc(S(=O)(=O)c2ccc(C)cc2C)c(C)c1 ZINC000005765302 170138196 /nfs/dbraw/zinc/13/81/96/170138196.db2.gz CWZZFEROKOHBGT-UHFFFAOYSA-N 0 0 274.385 3.753 10 0 CHAERN CCC[C@H]1CC[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000005842963 170146572 /nfs/dbraw/zinc/14/65/72/170146572.db2.gz LEXNQFMZOCFPDH-QWHCGFSZSA-N 0 0 280.364 3.733 10 0 in-vitro CHAERN Cc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000005936090 170158194 /nfs/dbraw/zinc/15/81/94/170158194.db2.gz MAPOXGLARBOJJT-CMDGGOBGSA-N 0 0 272.735 3.695 10 0 CHAERN Cc1cccc2c3c(ccc12)[C@]1(C[C@@H](C)CO1)OC3=O ZINC000006071823 170173942 /nfs/dbraw/zinc/17/39/42/170173942.db2.gz DNLNYCCHXAULQA-QGHHPUGFSA-N 0 0 268.312 3.528 10 0 biogenic,in-vitro CHAERN O=C(NOCCc1ccccc1)Nc1ccccc1Cl ZINC000006223020 170183753 /nfs/dbraw/zinc/18/37/53/170183753.db2.gz DWYZPNOKOUDTKN-UHFFFAOYSA-N 0 0 290.750 3.636 10 0 CHAERN CCCCC(=O)Nc1nc(-c2cccc(OC)c2)cs1 ZINC000006308494 170189912 /nfs/dbraw/zinc/18/99/12/170189912.db2.gz LRVOVTAASTUWHX-UHFFFAOYSA-N 0 0 290.388 3.947 10 0 CHAERN O=C(c1ccco1)N(Cc1cccnc1)c1ccccc1 ZINC000006676491 170225341 /nfs/dbraw/zinc/22/53/41/170225341.db2.gz ZVGFYGFJOWJAMZ-UHFFFAOYSA-N 0 0 278.311 3.522 10 0 CHAERN COC(=O)c1ccc(-c2ccco2)n1Cc1ccccc1 ZINC000006751432 170240461 /nfs/dbraw/zinc/24/04/61/170240461.db2.gz WXONFIRUZGKVHK-UHFFFAOYSA-N 0 0 281.311 3.583 10 0 CHAERN Cc1cc(C)n(C(=O)[C@H](C)Oc2ccc3ccccc3c2)n1 ZINC000007650033 170295478 /nfs/dbraw/zinc/29/54/78/170295478.db2.gz IDVKHZUXBMNQLK-AWEZNQCLSA-N 0 0 294.354 3.761 10 0 CHAERN Cc1ccc(CNC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000007668981 170296833 /nfs/dbraw/zinc/29/68/33/170296833.db2.gz QGDYLDUHXVMPMN-UHFFFAOYSA-N 0 0 283.371 3.712 10 0 CHAERN CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000008106200 170319145 /nfs/dbraw/zinc/31/91/45/170319145.db2.gz GTRSNIZRZTXINB-CYBMUJFWSA-N 0 0 269.344 3.655 10 0 CHAERN Cc1cc(Oc2ccccc2)ncc1Br ZINC000008409934 170335356 /nfs/dbraw/zinc/33/53/56/170335356.db2.gz CYGSXUNYJSLPBG-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN Cc1ccc(C2=NN[C@@H](c3ccccc3F)C2)cc1 ZINC000008550061 170339501 /nfs/dbraw/zinc/33/95/01/170339501.db2.gz RIHBJVLXFASYGL-MRXNPFEDSA-N 0 0 254.308 3.573 10 0 CHAERN Cc1cc(-c2nn(-c3ccccc3)cc2C=O)ccc1F ZINC000008549164 170339650 /nfs/dbraw/zinc/33/96/50/170339650.db2.gz IVQCHXBODOOWMM-UHFFFAOYSA-N 0 0 280.302 3.799 10 0 CHAERN CCCCCCn1c2ccccc2nc1C(C)(C)O ZINC000008785902 170356121 /nfs/dbraw/zinc/35/61/21/170356121.db2.gz IYRCLYIRLYPTIC-UHFFFAOYSA-N 0 0 260.381 3.844 10 0 CHAERN CC(C)c1cccc2sc(NC(=O)C3CC3)nc21 ZINC000008967602 170359999 /nfs/dbraw/zinc/35/99/99/170359999.db2.gz FLLXMDIAQLVMII-UHFFFAOYSA-N 0 0 260.362 3.768 10 0 CHAERN CC[C@H](C)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009269871 170369667 /nfs/dbraw/zinc/36/96/67/170369667.db2.gz ZSSVWYPJEGLBKX-LBPRGKRZSA-N 0 0 295.338 3.665 10 0 CHAERN CC(C)[C@@H](NC(=O)NC1CCCC1)c1cccs1 ZINC000009863436 170387406 /nfs/dbraw/zinc/38/74/06/170387406.db2.gz MHSWNDRQAQBCTB-CYBMUJFWSA-N 0 0 266.410 3.687 10 0 CHAERN C[C@@H]1CCC[C@H](C)N1CC(=O)c1ccc(Cl)cc1 ZINC000009998147 170394227 /nfs/dbraw/zinc/39/42/27/170394227.db2.gz JIFMKVRKDGFTSB-TXEJJXNPSA-N 0 0 265.784 3.786 10 0 CHAERN CCC(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000010109783 170397631 /nfs/dbraw/zinc/39/76/31/170397631.db2.gz NSAMHCHCZMXTOA-UHFFFAOYSA-N 0 0 279.343 3.887 10 0 CHAERN OC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000011734290 170436203 /nfs/dbraw/zinc/43/62/03/170436203.db2.gz NNNXTPUSPWUHIM-GFCCVEGCSA-N 0 0 264.727 3.798 10 0 CHAERN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)C(F)(F)F ZINC000011858729 170448780 /nfs/dbraw/zinc/44/87/80/170448780.db2.gz DDMXACNWEBWDTN-OWOJBTEDSA-N 0 0 293.244 3.720 10 0 CHAERN CCC(=O)Oc1ccc(/C=C/c2ccncc2)cc1 ZINC000011858407 170448814 /nfs/dbraw/zinc/44/88/14/170448814.db2.gz ZWYXBUGAMLYJOO-ONEGZZNKSA-N 0 0 253.301 3.567 10 0 CHAERN Cc1cc(C)nc(Oc2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000012090160 170468616 /nfs/dbraw/zinc/46/86/16/170468616.db2.gz OCVVUFCRWJPBLT-UHFFFAOYSA-N 0 0 299.374 3.870 10 0 CHAERN Cc1ccc([C@H](O)c2nc3c(cc2C)CCCC3)cc1 ZINC000013602756 170567856 /nfs/dbraw/zinc/56/78/56/170567856.db2.gz QEQQDNBZBATYKS-SFHVURJKSA-N 0 0 267.372 3.659 10 0 CHAERN COc1cc(O)ccc1-c1ccc2cc(O)ccc2c1 ZINC000013645059 170572615 /nfs/dbraw/zinc/57/26/15/170572615.db2.gz TWSSGPRRAGPVKD-UHFFFAOYSA-N 0 0 266.296 3.927 10 0 in-vivo CHAERN CCCOc1ccc2cccc(CCNC(=O)CC)c2c1 ZINC000013781834 170593373 /nfs/dbraw/zinc/59/33/73/170593373.db2.gz JCHRZVOQDXWYNW-UHFFFAOYSA-N 0 0 285.387 3.697 10 0 CHAERN C/C=C\COC(=O)Nc1ccccc1C(F)(F)F ZINC000013952691 170612481 /nfs/dbraw/zinc/61/24/81/170612481.db2.gz GNXHGWIDLVDHRO-IHWYPQMZSA-N 0 0 259.227 3.830 10 0 CHAERN CC(C)COc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000014772222 170644597 /nfs/dbraw/zinc/64/45/97/170644597.db2.gz NCILULSIEYKZKP-UHFFFAOYSA-N 0 0 295.338 3.522 10 0 CHAERN O=C1C[C@H](CCc2ccccc2)Oc2ccccc21 ZINC000015216792 170659523 /nfs/dbraw/zinc/65/95/23/170659523.db2.gz JSZHKARAUAIUIV-AWEZNQCLSA-N 0 0 252.313 3.653 10 0 CHAERN CC(C)(C)c1ccc([C@@H](C(=O)[O-])[NH+]2CCCCC2)cc1 ZINC000016712014 170710263 /nfs/dbraw/zinc/71/02/63/170710263.db2.gz ZIACPPMCTADAGZ-HNNXBMFYSA-N 0 0 275.392 3.596 10 0 CHAERN Cc1ccc(N)cc1NC(=O)CCOC1CCC(C)CC1 ZINC000019385025 170778808 /nfs/dbraw/zinc/77/88/08/170778808.db2.gz QIXWCTXOCNJNIO-UHFFFAOYSA-N 0 0 290.407 3.501 10 0 CHAERN Cc1sc2nc(Cc3ccccn3)nc(Cl)c2c1C ZINC000019409434 170788662 /nfs/dbraw/zinc/78/86/62/170788662.db2.gz NUJGLAWINNHXSR-UHFFFAOYSA-N 0 0 289.791 3.947 10 0 CHAERN Nc1c(-c2ccc(Cl)cc2)ncn1Cc1ccccc1 ZINC000019517629 170823481 /nfs/dbraw/zinc/82/34/81/170823481.db2.gz QFQVZJPZPYBCNE-UHFFFAOYSA-N 0 0 283.762 3.834 10 0 CHAERN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3)c1 ZINC000019722858 170843984 /nfs/dbraw/zinc/84/39/84/170843984.db2.gz OQOQKCLKWRZUIY-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN NC(=S)c1ccccc1NC(=O)CCC1CCCCC1 ZINC000019805314 170874226 /nfs/dbraw/zinc/87/42/26/170874226.db2.gz AUIFKTQDAQTXRZ-UHFFFAOYSA-N 0 0 290.432 3.620 10 0 CHAERN CC[C@H](C)SCCC(=O)Nc1ccc(Cl)cc1N ZINC000019869785 170900712 /nfs/dbraw/zinc/90/07/12/170900712.db2.gz QVOAUZHDUGQGMA-VIFPVBQESA-N 0 0 286.828 3.783 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc(C(C)=O)cc1 ZINC000019871572 170901979 /nfs/dbraw/zinc/90/19/79/170901979.db2.gz MWNHSXCYGUFTDF-UHFFFAOYSA-N 0 0 269.300 3.640 10 0 CHAERN COc1ccc(CNc2ccc(F)c(F)c2F)c(OC)c1 ZINC000019907514 170919732 /nfs/dbraw/zinc/91/97/32/170919732.db2.gz GTWZCNFKLWOMMJ-UHFFFAOYSA-N 0 0 297.276 3.733 10 0 CHAERN Cc1nc([C@H](C)N[C@@H](C)c2ccncc2)c(C)s1 ZINC000020121846 171001465 /nfs/dbraw/zinc/00/14/65/171001465.db2.gz KGYNSRWARFVZSW-UWVGGRQHSA-N 0 0 261.394 3.567 10 0 CHAERN C[C@H](N[C@@H]1COc2cc(O)ccc21)c1ccccc1Cl ZINC000020124097 171005646 /nfs/dbraw/zinc/00/56/46/171005646.db2.gz PLGCYUJOXKVLPM-ZUZCIYMTSA-N 0 0 289.762 3.830 10 0 CHAERN c1nnc(-c2ccc(NC3CCCCCC3)cc2)o1 ZINC000020186802 171050894 /nfs/dbraw/zinc/05/08/94/171050894.db2.gz WZQRXBVMLQSWLQ-UHFFFAOYSA-N 0 0 257.337 3.871 10 0 CHAERN CC(C)(C)c1nc2cc(NCc3ccncc3)ccc2[nH]1 ZINC000020187708 171052860 /nfs/dbraw/zinc/05/28/60/171052860.db2.gz NPZDAARINZUABB-UHFFFAOYSA-N 0 0 280.375 3.868 10 0 CHAERN CCS(=O)(=O)/C(Cl)=C(\Cl)Sc1ccccc1 ZINC000020190304 171056493 /nfs/dbraw/zinc/05/64/93/171056493.db2.gz LTVIAPFKIGPYKQ-MDZDMXLPSA-N 0 0 297.228 3.818 10 0 CHAERN Cc1cc(CSc2ccc(Cl)cc2N)no1 ZINC000020254152 171107571 /nfs/dbraw/zinc/10/75/71/171107571.db2.gz MRTBPCFRISJULW-UHFFFAOYSA-N 0 0 254.742 3.511 10 0 CHAERN CC(C)CNC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020313161 171145191 /nfs/dbraw/zinc/14/51/91/171145191.db2.gz IDDWLNNXDSUPEP-SECBINFHSA-N 0 0 289.206 3.566 10 0 CHAERN Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000020344147 171153530 /nfs/dbraw/zinc/15/35/30/171153530.db2.gz DUWXJTHMVNIADS-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Cc1ccc(NC(=O)CCC2CCCCC2)c(N)c1 ZINC000020344714 171153848 /nfs/dbraw/zinc/15/38/48/171153848.db2.gz ZTCVYWLTHTVZTE-UHFFFAOYSA-N 0 0 260.381 3.876 10 0 CHAERN CCCCCNc1cccc(I)c1 ZINC000020359778 171158609 /nfs/dbraw/zinc/15/86/09/171158609.db2.gz CMHWHMREOBPELP-UHFFFAOYSA-N 0 0 289.160 3.893 10 0 CHAERN CCOc1ccc(CNc2c(F)cccc2F)cc1 ZINC000020361240 171159472 /nfs/dbraw/zinc/15/94/72/171159472.db2.gz UXXMKDCRZLLYCI-UHFFFAOYSA-N 0 0 263.287 3.976 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(F)cc2Cl)c1O ZINC000020363038 171162181 /nfs/dbraw/zinc/16/21/81/171162181.db2.gz KHLJHQYOORMYAX-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(SC)c1 ZINC000020365044 171163715 /nfs/dbraw/zinc/16/37/15/171163715.db2.gz GVMQXLGYXRPPAL-VXGBXAGGSA-N 0 0 280.437 3.514 10 0 CHAERN C[C@@H](Nc1ccc(N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000020382021 171172736 /nfs/dbraw/zinc/17/27/36/171172736.db2.gz AMBUPIINWYUDBS-SFCYXTAJSA-N 0 0 271.408 3.681 10 0 CHAERN Fc1ccc(NCC(F)(F)F)c(Br)c1 ZINC000020430874 171195766 /nfs/dbraw/zinc/19/57/66/171195766.db2.gz LOEKBCJCOUJRHW-UHFFFAOYSA-N 0 0 272.039 3.562 10 0 CHAERN C[C@H](c1ccccc1)n1[nH]cc2nc(-c3ccco3)nc1-2 ZINC000020454308 171208492 /nfs/dbraw/zinc/20/84/92/171208492.db2.gz BFAJAPSMEGMYEK-LLVKDONJSA-N 0 0 278.315 3.629 10 0 CHAERN Nc1ccc(NCc2cccc(F)c2)c(Cl)c1 ZINC000020473492 171217707 /nfs/dbraw/zinc/21/77/07/171217707.db2.gz PVTSRTTUIOGMQA-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN CCC(CC)Nc1cccc(I)c1 ZINC000020478939 171221911 /nfs/dbraw/zinc/22/19/11/171221911.db2.gz GVIGLAKEKJPGCC-UHFFFAOYSA-N 0 0 289.160 3.892 10 0 CHAERN CCN(Cc1ccccc1)c1cccc(Cl)c1CO ZINC000020486728 171226336 /nfs/dbraw/zinc/22/63/36/171226336.db2.gz YOVUVJAPCCBBNB-UHFFFAOYSA-N 0 0 275.779 3.859 10 0 CHAERN Cn1cccc1CNc1ccc(F)cc1Br ZINC000020520802 171233991 /nfs/dbraw/zinc/23/39/91/171233991.db2.gz SHZJUOKMWTXYKO-UHFFFAOYSA-N 0 0 283.144 3.539 10 0 CHAERN COC(=O)c1c(N)scc1C12CC3CC(CC(C3)C1)C2 ZINC000020549894 171246675 /nfs/dbraw/zinc/24/66/75/171246675.db2.gz PDWGGSYIYAYPCQ-UHFFFAOYSA-N 0 0 291.416 3.585 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCc1cc(C(N)=S)ccc1F ZINC000020551926 171247542 /nfs/dbraw/zinc/24/75/42/171247542.db2.gz UJZQKRDWWZYPDX-IAQYHMDHSA-N 0 0 295.423 3.945 10 0 CHAERN Cc1cc(Cl)ccc1OCc1ccc(C(N)=S)cc1 ZINC000020553129 171248518 /nfs/dbraw/zinc/24/85/18/171248518.db2.gz RQHIWGGOMSQZHR-UHFFFAOYSA-N 0 0 291.803 3.862 10 0 CHAERN Cc1ccc(CN(C)c2ccc(C=O)cc2F)cc1 ZINC000020559903 171251382 /nfs/dbraw/zinc/25/13/82/171251382.db2.gz ZVLQNXXRHIGBOD-UHFFFAOYSA-N 0 0 257.308 3.583 10 0 CHAERN COc1cc(Cl)c(C)cc1Nc1ccccc1N ZINC000020584868 171258217 /nfs/dbraw/zinc/25/82/17/171258217.db2.gz WJQUUNBBQOELSP-UHFFFAOYSA-N 0 0 262.740 3.983 10 0 CHAERN CCC(C)(C)n1c(=S)[nH]nc1-c1cccs1 ZINC000020591235 171261432 /nfs/dbraw/zinc/26/14/32/171261432.db2.gz OYMFZECCLRXGFO-UHFFFAOYSA-N 0 0 253.396 3.814 10 0 CHAERN CCCn1c2ccccc2nc1CCc1ccccc1N ZINC000020980528 171282661 /nfs/dbraw/zinc/28/26/61/171282661.db2.gz RFYQCDBGPKDHRL-UHFFFAOYSA-N 0 0 279.387 3.814 10 0 CHAERN Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1 ZINC000021003878 171284951 /nfs/dbraw/zinc/28/49/51/171284951.db2.gz CSTBUAYYURBWTO-UHFFFAOYSA-N 0 0 271.703 3.817 10 0 CHAERN CCC(=O)Nc1cc(C)ccc1NC(=O)c1ccccc1C ZINC000021004077 171285080 /nfs/dbraw/zinc/28/50/80/171285080.db2.gz AWMDCELITHEMJO-UHFFFAOYSA-N 0 0 296.370 3.904 10 0 CHAERN CCc1ccc([C@H](C)Nc2ccc(OC)nc2)cc1 ZINC000021008712 171285679 /nfs/dbraw/zinc/28/56/79/171285679.db2.gz QOEKSNUHDDZOOE-LBPRGKRZSA-N 0 0 256.349 3.826 10 0 CHAERN Fc1c(F)c(F)c(NCc2ccco2)c(F)c1F ZINC000021507144 171308455 /nfs/dbraw/zinc/30/84/55/171308455.db2.gz NVBJPZMGKONUGN-UHFFFAOYSA-N 0 0 263.165 3.587 10 0 CHAERN COC(=O)/C=C/C=C/CSc1ccc(Cl)cc1 ZINC000021993648 171346728 /nfs/dbraw/zinc/34/67/28/171346728.db2.gz FALLPYYQVKNLJO-ZUVMSYQZSA-N 0 0 268.765 3.718 10 0 CHAERN COc1ccc([C@@H](O)c2cc3ccc(OC)cc3o2)cc1 ZINC000021993743 171346732 /nfs/dbraw/zinc/34/67/32/171346732.db2.gz MSKXEQOVHFSFGI-QGZVFWFLSA-N 0 0 284.311 3.532 10 0 CHAERN COc1cc(OC)c2c(c1)O[C@@](C)(c1ccccc1)CC2=O ZINC000021995766 171347375 /nfs/dbraw/zinc/34/73/75/171347375.db2.gz IHKSGAUPQCCYFB-GOSISDBHSA-N 0 0 298.338 3.584 10 0 CHAERN Cc1ccc([C@H](O)[C@@H](C)C(=O)c2ccccc2)cc1 ZINC000021996847 171347604 /nfs/dbraw/zinc/34/76/04/171347604.db2.gz VMHIDNSPRCRSKI-SUMWQHHRSA-N 0 0 254.329 3.547 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2N)c1 ZINC000022142084 171355543 /nfs/dbraw/zinc/35/55/43/171355543.db2.gz MSGFBYAMZWFYCC-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Nc1ccc(-n2cnc3ccccc32)cc1C(F)(F)F ZINC000022171891 171368205 /nfs/dbraw/zinc/36/82/05/171368205.db2.gz DDUGMBVFDSFJPU-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN OCc1cccc(-c2ccc3cc(O)ccc3c2)c1 ZINC000029055946 171585488 /nfs/dbraw/zinc/58/54/88/171585488.db2.gz ZZSSSCGWUUMKKX-UHFFFAOYSA-N 0 0 250.297 3.705 10 0 CHAERN CCn1c(-c2cccc(O)c2)cc2cc(O)ccc21 ZINC000029226675 171590747 /nfs/dbraw/zinc/59/07/47/171590747.db2.gz JMYNHXRRWCMGQH-UHFFFAOYSA-N 0 0 253.301 3.739 10 0 CHAERN O=c1cc(-c2cccc(F)c2)oc2ccc(F)cc12 ZINC000029549422 171602641 /nfs/dbraw/zinc/60/26/41/171602641.db2.gz SLNCMJYPLFSUGO-UHFFFAOYSA-N 0 0 258.223 3.738 10 0 CHAERN Cc1c(Cl)cccc1NC[C@@H](O)c1cccs1 ZINC000032115874 171709110 /nfs/dbraw/zinc/70/91/10/171709110.db2.gz KELASYYMYFVCKT-GFCCVEGCSA-N 0 0 267.781 3.855 10 0 CHAERN Cc1ccc(/C=C\C(=O)NC2CCCCCCC2)o1 ZINC000033317296 171782824 /nfs/dbraw/zinc/78/28/24/171782824.db2.gz DVJAWJPFGBKOCS-QXMHVHEDSA-N 0 0 261.365 3.830 10 0 CHAERN COc1ccccc1C(=O)c1cc(Cl)ccc1OC ZINC000034237023 171835454 /nfs/dbraw/zinc/83/54/54/171835454.db2.gz KCPXAKZLAKHEFA-UHFFFAOYSA-N 0 0 276.719 3.588 10 0 CHAERN O=C(Cc1nc2ccccc2s1)c1cccc(F)c1 ZINC000034940279 171899869 /nfs/dbraw/zinc/89/98/69/171899869.db2.gz SCFKEQJYZYINGN-UHFFFAOYSA-N 0 0 271.316 3.861 10 0 CHAERN COc1cccc2[nH]nc(NCC(C)(C)c3ccccc3)c21 ZINC000034948854 171900818 /nfs/dbraw/zinc/90/08/18/171900818.db2.gz ZQXIYPHUAPMGPW-UHFFFAOYSA-N 0 0 295.386 3.961 10 0 CHAERN Cn1nc(C2CC2)c(-c2c(Cl)cccc2Cl)c1N ZINC000034976071 171911089 /nfs/dbraw/zinc/91/10/89/171911089.db2.gz OCDUUGWLMVSVGW-UHFFFAOYSA-N 0 0 282.174 3.854 10 0 CHAERN COc1ccc(C(C)=O)cc1COc1cccc(C)c1 ZINC000034979111 171911754 /nfs/dbraw/zinc/91/17/54/171911754.db2.gz DQIIJQHOLGHCSK-UHFFFAOYSA-N 0 0 270.328 3.785 10 0 CHAERN C[C@H]1CCC[C@H](C)N1CC(=O)c1ccccc1Cl ZINC000034989143 171915830 /nfs/dbraw/zinc/91/58/30/171915830.db2.gz JJZFDWHHESUGSI-RYUDHWBXSA-N 0 0 265.784 3.786 10 0 CHAERN COc1ccc(C(=O)CSC(C)(C)C)cc1F ZINC000034990601 171917227 /nfs/dbraw/zinc/91/72/27/171917227.db2.gz XFZROFOIJYGKTD-UHFFFAOYSA-N 0 0 256.342 3.549 10 0 CHAERN CCc1ccc(C(=O)CN2c3ccccc3C[C@H]2C)cc1 ZINC000035020265 171938205 /nfs/dbraw/zinc/93/82/05/171938205.db2.gz MXYWMYYBOFQWMI-CQSZACIVSA-N 0 0 279.383 3.883 10 0 CHAERN COC(=O)c1ccc(C)c(NCC2CCCCC2)c1 ZINC000035036525 171942294 /nfs/dbraw/zinc/94/22/94/171942294.db2.gz LPXUYYCHWOQRDO-UHFFFAOYSA-N 0 0 261.365 3.774 10 0 CHAERN O=C1CCC[C@@H]1Sc1ccccc1Br ZINC000035046882 171950473 /nfs/dbraw/zinc/95/04/73/171950473.db2.gz IZXOQFFSFIRWFZ-NSHDSACASA-N 0 0 271.179 3.663 10 0 CHAERN NC(=O)c1ccc(CNc2ccc3sccc3c2)cc1 ZINC000035055075 171957943 /nfs/dbraw/zinc/95/79/43/171957943.db2.gz ZFGQBJDGOWAURH-UHFFFAOYSA-N 0 0 282.368 3.612 10 0 CHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(Cl)s1 ZINC000035056903 171959945 /nfs/dbraw/zinc/95/99/45/171959945.db2.gz BFRUKIFMNWSJPC-MRVPVSSYSA-N 0 0 280.780 3.674 10 0 CHAERN CCc1ccccc1NC(=O)c1c[nH]c2ccccc12 ZINC000035134751 172001496 /nfs/dbraw/zinc/00/14/96/172001496.db2.gz GFRLDZFSOVMNMO-UHFFFAOYSA-N 0 0 264.328 3.983 10 0 CHAERN C[C@H]1[C@H](NC(=O)c2c[nH]c3ccccc23)CCC[C@@H]1C ZINC000035134661 172001513 /nfs/dbraw/zinc/00/15/13/172001513.db2.gz BEQMLZZJOMIZNI-YWPYICTPSA-N 0 0 270.376 3.722 10 0 CHAERN C=CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000035160158 172018403 /nfs/dbraw/zinc/01/84/03/172018403.db2.gz ZOZCHLOXHJKNFM-UHFFFAOYSA-N 0 0 250.512 3.771 10 0 CHAERN O=C(COc1ccc2c(c1)CCC2)c1ccccc1F ZINC000035181758 172035526 /nfs/dbraw/zinc/03/55/26/172035526.db2.gz LFZYPHOLRQVBOY-UHFFFAOYSA-N 0 0 270.303 3.576 10 0 CHAERN O=C(COc1ccc2c(c1)CCC2)c1cc(F)ccc1F ZINC000035181732 172035621 /nfs/dbraw/zinc/03/56/21/172035621.db2.gz YUTZZGCYCMVJJO-UHFFFAOYSA-N 0 0 288.293 3.715 10 0 CHAERN Cc1cc(C)cc(OCC(=O)c2ccc(F)cc2)c1 ZINC000035182396 172036159 /nfs/dbraw/zinc/03/61/59/172036159.db2.gz BNCFYFVFHMDRBQ-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1ccc(OCC(=O)c2cccc(Cl)c2)cc1 ZINC000035183682 172036596 /nfs/dbraw/zinc/03/65/96/172036596.db2.gz OLLDDBOIRVCKOK-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000035183633 172036631 /nfs/dbraw/zinc/03/66/31/172036631.db2.gz JKAABVAQNYPCEY-UHFFFAOYSA-N 0 0 266.340 3.745 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000035183661 172036683 /nfs/dbraw/zinc/03/66/83/172036683.db2.gz KJLWLVSJNCRUKG-LLVKDONJSA-N 0 0 276.282 3.923 10 0 CHAERN Cc1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000035183638 172036702 /nfs/dbraw/zinc/03/67/02/172036702.db2.gz FJSSQMAIQOKIBK-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN COc1ccc(C(C)=O)cc1CSCC(C)C ZINC000035182951 172036816 /nfs/dbraw/zinc/03/68/16/172036816.db2.gz FFQAABGQPSYLPM-UHFFFAOYSA-N 0 0 252.379 3.787 10 0 CHAERN O=C(COc1ccccc1F)c1ccccc1Cl ZINC000035183525 172037038 /nfs/dbraw/zinc/03/70/38/172037038.db2.gz LJKLBEJQFYILSU-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1ccc(C(=O)COc2ccc(F)cc2)c(C)c1 ZINC000035183855 172037562 /nfs/dbraw/zinc/03/75/62/172037562.db2.gz LCNMVNJWDMHDFX-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN COc1cc(C)ccc1O[C@@H](C)C(=O)c1ccc(C)cc1 ZINC000035184722 172038023 /nfs/dbraw/zinc/03/80/23/172038023.db2.gz UJYJHPWJCOADSV-AWEZNQCLSA-N 0 0 284.355 3.962 10 0 CHAERN Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1O ZINC000035185114 172038863 /nfs/dbraw/zinc/03/88/63/172038863.db2.gz ATQHKBCLBBVMIB-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC(CC)N(C)C(=O)c1ccc(Br)cc1 ZINC000035208004 172053671 /nfs/dbraw/zinc/05/36/71/172053671.db2.gz UEXRICSCUSOBAA-UHFFFAOYSA-N 0 0 284.197 3.710 10 0 CHAERN FC(F)(F)Oc1ccccc1NC[C@H]1CCCCO1 ZINC000035216830 172057626 /nfs/dbraw/zinc/05/76/26/172057626.db2.gz ZYCWNMHOHJFDPA-SNVBAGLBSA-N 0 0 275.270 3.566 10 0 CHAERN Cc1ccc(C)c(OCC(=O)c2cccs2)c1C ZINC000035224889 172069743 /nfs/dbraw/zinc/06/97/43/172069743.db2.gz CPPIUMCUVRWECP-UHFFFAOYSA-N 0 0 260.358 3.935 10 0 CHAERN O=Cc1ccc(-c2cncc(Oc3cccnc3)c2)cc1 ZINC000035277029 172096876 /nfs/dbraw/zinc/09/68/76/172096876.db2.gz LQDFWHABNUEBOO-UHFFFAOYSA-N 0 0 276.295 3.748 10 0 CHAERN Cc1c(N)cccc1Oc1ccc(Br)cn1 ZINC000035283246 172101573 /nfs/dbraw/zinc/10/15/73/172101573.db2.gz CJIITLSGAHHVPR-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN Nc1ccc(F)cc1COc1ccccc1Cl ZINC000035308711 172121577 /nfs/dbraw/zinc/12/15/77/172121577.db2.gz AOMYUBFHLZZWOV-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN [NH3+][C@@H](CCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000035324525 172126669 /nfs/dbraw/zinc/12/66/69/172126669.db2.gz XHMWOUNHWIENGG-NSHDSACASA-N 0 0 276.163 3.638 10 0 CHAERN CC(C)(C)c1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324258 172126968 /nfs/dbraw/zinc/12/69/68/172126968.db2.gz CQTXVDCPBJFSQF-AWEZNQCLSA-N 0 0 263.381 3.629 10 0 CHAERN Nc1ccc(Oc2ccccc2F)c2cccnc12 ZINC000035340877 172132831 /nfs/dbraw/zinc/13/28/31/172132831.db2.gz XNQJSLBQTRTQSU-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN Nc1ccc(Nc2ccccc2F)c2ncccc12 ZINC000035342045 172134160 /nfs/dbraw/zinc/13/41/60/172134160.db2.gz CVEDZFARVXJLMM-UHFFFAOYSA-N 0 0 253.280 3.700 10 0 CHAERN Nc1ccc2nc(NCCc3cccs3)ccc2c1 ZINC000035343378 172135091 /nfs/dbraw/zinc/13/50/91/172135091.db2.gz WQQJCKSHUIIVQP-UHFFFAOYSA-N 0 0 269.373 3.533 10 0 CHAERN CCCCCOc1cc2nc(C)sc2cc1N ZINC000035343023 172135276 /nfs/dbraw/zinc/13/52/76/172135276.db2.gz STUROJSMPFOVOG-UHFFFAOYSA-N 0 0 250.367 3.756 10 0 CHAERN O=C(c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035369031 172160903 /nfs/dbraw/zinc/16/09/03/172160903.db2.gz TZHHRZDICIEYJD-UHFFFAOYSA-N 0 0 291.553 3.988 10 0 CHAERN Cc1ccoc1C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000035369742 172161669 /nfs/dbraw/zinc/16/16/69/172161669.db2.gz VCGXRMLBLAWTAO-UHFFFAOYSA-N 0 0 259.692 3.954 10 0 CHAERN Cc1cc(C(=O)c2c[nH]c3cc(C)ccc32)c(C)o1 ZINC000035369721 172161670 /nfs/dbraw/zinc/16/16/70/172161670.db2.gz JJQKVHVTTIOTEW-UHFFFAOYSA-N 0 0 253.301 3.917 10 0 CHAERN Cc1ccsc1C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035379404 172162486 /nfs/dbraw/zinc/16/24/86/172162486.db2.gz GDKZZNFZGPVMNK-SNVBAGLBSA-N 0 0 258.342 3.611 10 0 CHAERN Cc1ccoc1[C@@H](N)c1cc(Cl)ccc1Cl ZINC000035382424 172165667 /nfs/dbraw/zinc/16/56/67/172165667.db2.gz PQJSHMKYPAQUPS-NSHDSACASA-N 0 0 256.132 3.943 10 0 CHAERN CCc1ccc(COc2c(C=O)cccc2OC)s1 ZINC000035412851 172184714 /nfs/dbraw/zinc/18/47/14/172184714.db2.gz GILFGGKGOQEUKS-UHFFFAOYSA-N 0 0 276.357 3.711 10 0 CHAERN COc1ccc(C(=O)c2cc3c(s2)CCC3)cc1F ZINC000035423823 172192152 /nfs/dbraw/zinc/19/21/52/172192152.db2.gz RWOCLQYDMNBVLA-UHFFFAOYSA-N 0 0 276.332 3.616 10 0 CHAERN O=Cc1c(Oc2cccc(Cl)c2)nc2ccccn21 ZINC000035433569 172201764 /nfs/dbraw/zinc/20/17/64/172201764.db2.gz FUMSJEWNIWLYDP-UHFFFAOYSA-N 0 0 272.691 3.593 10 0 CHAERN CN[C@@H](c1ccc(C)cc1C)C(F)(F)C(F)(F)F ZINC000035468038 172216510 /nfs/dbraw/zinc/21/65/10/172216510.db2.gz UFFZNCNQDWQANN-JTQLQIEISA-N 0 0 267.241 3.762 10 0 CHAERN CCN[C@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035509976 172241834 /nfs/dbraw/zinc/24/18/34/172241834.db2.gz RNSYSEOLZXANDL-MRVPVSSYSA-N 0 0 273.270 3.905 10 0 CHAERN CCc1noc2nc(C)nc(Nc3ccc(C)cc3C)c12 ZINC000035528827 172243751 /nfs/dbraw/zinc/24/37/51/172243751.db2.gz ZAXYIDDNVVFAOV-UHFFFAOYSA-N 0 0 282.347 3.849 10 0 CHAERN Cc1ccc(-c2cc(C(=O)N3CCCCC3)ccn2)s1 ZINC000035538351 172244728 /nfs/dbraw/zinc/24/47/28/172244728.db2.gz SUZXFZZHOQEIHA-UHFFFAOYSA-N 0 0 286.400 3.745 10 0 CHAERN CCN[C@@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000035540455 172247386 /nfs/dbraw/zinc/24/73/86/172247386.db2.gz PTMJOVXDSXPUAW-VIFPVBQESA-N 0 0 253.214 3.535 10 0 CHAERN Nc1cc(-c2ccc(Cl)cc2)nn1-c1cccc(F)c1 ZINC000035542172 172250329 /nfs/dbraw/zinc/25/03/29/172250329.db2.gz TUOKTHYVAMLZKX-UHFFFAOYSA-N 0 0 287.725 3.914 10 0 CHAERN CCCN[C@H](c1ccc(OCC)cc1)C(F)(F)F ZINC000035577512 172273445 /nfs/dbraw/zinc/27/34/45/172273445.db2.gz UHNQXMCDFWKUJE-GFCCVEGCSA-N 0 0 261.287 3.688 10 0 CHAERN C[C@H](O)c1ccccc1OCc1ccccc1Cl ZINC000035627056 172306101 /nfs/dbraw/zinc/30/61/01/172306101.db2.gz JORODKVSZDBPCY-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000035627773 172306177 /nfs/dbraw/zinc/30/61/77/172306177.db2.gz SACGWDXGJVPSGE-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1cccc(OCc2ccccc2Cl)c1 ZINC000035627797 172307010 /nfs/dbraw/zinc/30/70/10/172307010.db2.gz TUBPPBAKGFSOPW-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1cc(F)ccc1N1CCc2ccccc21 ZINC000035631349 172313867 /nfs/dbraw/zinc/31/38/67/172313867.db2.gz ZBKQAUZLXYHLFL-NSHDSACASA-N 0 0 257.308 3.573 10 0 CHAERN COc1ccc(Oc2ccc(F)cc2[C@H](C)O)cc1 ZINC000035632372 172314745 /nfs/dbraw/zinc/31/47/45/172314745.db2.gz YPYBCEXJHAEUCJ-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN CCN(Cc1cccc(N)c1C)c1ccccc1C ZINC000035649020 172325303 /nfs/dbraw/zinc/32/53/03/172325303.db2.gz GSTDSMHUXDSPJR-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN Cc1ccnc(-c2cc(C)cc(Br)n2)c1 ZINC000035653890 172330456 /nfs/dbraw/zinc/33/04/56/172330456.db2.gz UEJJXCRFGURPDR-UHFFFAOYSA-N 0 0 263.138 3.523 10 0 CHAERN Cc1ccc(N)cc1Oc1ccc(Br)cn1 ZINC000035678319 172349379 /nfs/dbraw/zinc/34/93/79/172349379.db2.gz CKHWQLVTFZDBTF-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN Cc1ccc(-n2c(=O)c3ccsc3[nH]c2=S)cc1F ZINC000035698220 172367415 /nfs/dbraw/zinc/36/74/15/172367415.db2.gz VFHQOPHACYZOHT-UHFFFAOYSA-N 0 0 292.360 3.557 10 0 CHAERN CN(Cc1cccs1)c1ccc(N)cc1Cl ZINC000035716881 172370839 /nfs/dbraw/zinc/37/08/39/172370839.db2.gz XYBWRJSALRPWOR-UHFFFAOYSA-N 0 0 252.770 3.620 10 0 CHAERN CN(Cc1ccsc1)c1c(N)cccc1Cl ZINC000035718714 172372855 /nfs/dbraw/zinc/37/28/55/172372855.db2.gz YIGTVKZZAFHLSA-UHFFFAOYSA-N 0 0 252.770 3.620 10 0 CHAERN Cc1ccc2sc(N[C@@H](C)[C@@H]3CCCO3)nc2c1 ZINC000035736367 172389238 /nfs/dbraw/zinc/38/92/38/172389238.db2.gz WAZFZASIDQBAHZ-JQWIXIFHSA-N 0 0 262.378 3.584 10 0 CHAERN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccco1 ZINC000035738795 172392327 /nfs/dbraw/zinc/39/23/27/172392327.db2.gz TWDKACNBCZRFAJ-NEPJUHHUSA-N 0 0 269.348 3.578 10 0 CHAERN COC(=O)C[C@H](C)Nc1c(Cl)cccc1C(F)(F)F ZINC000035748717 172396965 /nfs/dbraw/zinc/39/69/65/172396965.db2.gz FYQGCUIKOYBMBU-ZETCQYMHSA-N 0 0 295.688 3.722 10 0 CHAERN COC(=O)[C@@H](C)CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035758574 172398528 /nfs/dbraw/zinc/39/85/28/172398528.db2.gz KTDWHJKLAMUVAH-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN FC(F)(F)Sc1ccc(CNc2cn[nH]c2)cc1 ZINC000035764001 172404392 /nfs/dbraw/zinc/40/43/92/172404392.db2.gz NCESUDQFNZQRQT-UHFFFAOYSA-N 0 0 273.283 3.634 10 0 CHAERN C[C@@H](Nc1cn[nH]c1)c1cccc(C(F)(F)F)c1 ZINC000035763902 172404669 /nfs/dbraw/zinc/40/46/69/172404669.db2.gz XYMCQMVGFFCMBJ-MRVPVSSYSA-N 0 0 255.243 3.602 10 0 CHAERN Nc1ccc(F)c(NC(=O)Nc2ccccc2Cl)c1 ZINC000035782045 172415578 /nfs/dbraw/zinc/41/55/78/172415578.db2.gz WLASSRXFWKONJR-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN C[C@H](NC(=O)C1CCC1)c1ccc2ccccc2c1 ZINC000036037592 172429779 /nfs/dbraw/zinc/42/97/79/172429779.db2.gz QABZYLWFRRJNFN-LBPRGKRZSA-N 0 0 253.345 3.817 10 0 CHAERN CCCCS[C@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000036332888 172617248 /nfs/dbraw/zinc/61/72/48/172617248.db2.gz NORYQXOPCQSXOT-SECBINFHSA-N 0 0 286.828 3.783 10 0 CHAERN CC(C)(C)c1ccccc1OCc1csc(N)n1 ZINC000036732448 172664020 /nfs/dbraw/zinc/66/40/20/172664020.db2.gz XCJYRGOWUDOJFU-UHFFFAOYSA-N 0 0 262.378 3.602 10 0 CHAERN CCCCCC(=O)Nc1ccc(N)cc1C(F)(F)F ZINC000036737200 172668251 /nfs/dbraw/zinc/66/82/51/172668251.db2.gz ADPGLHJFDPWIKG-UHFFFAOYSA-N 0 0 274.286 3.806 10 0 CHAERN Oc1cccc2c1CC[C@@H]2Nc1ccc(F)c(F)c1 ZINC000036852039 172749926 /nfs/dbraw/zinc/74/99/26/172749926.db2.gz GDLZJRRBBPMJTA-AWEZNQCLSA-N 0 0 261.271 3.770 10 0 CHAERN C[C@@H]1C[C@@H]1c1nn(C)c(N)c1-c1c(F)cccc1Cl ZINC000036937580 172816060 /nfs/dbraw/zinc/81/60/60/172816060.db2.gz NXEPWWVTHHQNNL-SFYZADRCSA-N 0 0 279.746 3.585 10 0 CHAERN O=C(c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000036940685 172817357 /nfs/dbraw/zinc/81/73/57/172817357.db2.gz KHYYHYMHMRSWEW-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN CCC(CC)CNc1ccc(Cl)cc1C(=O)OC ZINC000036941261 172818035 /nfs/dbraw/zinc/81/80/35/172818035.db2.gz VSLNUWPDNOBNJA-UHFFFAOYSA-N 0 0 269.772 3.975 10 0 CHAERN COc1ccc(NC[C@H](C)c2ccccc2)cc1O ZINC000037134486 172975341 /nfs/dbraw/zinc/97/53/41/172975341.db2.gz BYHOWLLZVOIBSA-LBPRGKRZSA-N 0 0 257.333 3.616 10 0 CHAERN C1=C[C@H]2C[C@@H]1C[C@@H]2CNc1cccc2cccnc21 ZINC000037195756 173024297 /nfs/dbraw/zinc/02/42/97/173024297.db2.gz FROGLDIOJSXENX-VHDGCEQUSA-N 0 0 250.345 3.859 10 0 CHAERN CO[C@H]1CCCC[C@@H]1Nc1ccccc1OC(F)F ZINC000037217543 173036212 /nfs/dbraw/zinc/03/62/12/173036212.db2.gz WRGDFURIQQIBIW-JQWIXIFHSA-N 0 0 271.307 3.658 10 0 CHAERN CC[C@H]1CCCC[C@H]1OC(=O)Nc1cccc(N)c1 ZINC000037222859 173043229 /nfs/dbraw/zinc/04/32/29/173043229.db2.gz HMORICIOOHQGAW-SMDDNHRTSA-N 0 0 262.353 3.786 10 0 CHAERN CCOc1ccc(Oc2ccc(F)cc2C=O)cc1 ZINC000037234409 173053569 /nfs/dbraw/zinc/05/35/69/173053569.db2.gz ZMEUDKQVRLTCFW-UHFFFAOYSA-N 0 0 260.264 3.829 10 0 CHAERN COc1ncccc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037301345 173107051 /nfs/dbraw/zinc/10/70/51/173107051.db2.gz LKQVIFIXRQRINP-MJBXVCDLSA-N 0 0 260.381 3.861 10 0 CHAERN CSCc1ccc(CNc2cccc3c[nH]nc32)o1 ZINC000037312476 173114866 /nfs/dbraw/zinc/11/48/66/173114866.db2.gz LUGHZYSZRBJXEV-UHFFFAOYSA-N 0 0 273.361 3.631 10 0 CHAERN CCn1c(C)cc(C(=O)CO[C@@H](C)CC(C)C)c1C ZINC000037345636 173143193 /nfs/dbraw/zinc/14/31/93/173143193.db2.gz RUILAQNUDNKZHD-ZDUSSCGKSA-N 0 0 265.397 3.759 10 0 CHAERN Nc1ccc(Sc2ccc(F)cc2F)c(F)c1 ZINC000037381769 173167974 /nfs/dbraw/zinc/16/79/74/173167974.db2.gz IAUSJQCNTSFHHF-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN Nc1c(F)cccc1Sc1ccc(F)c(F)c1 ZINC000037420768 173197557 /nfs/dbraw/zinc/19/75/57/173197557.db2.gz ZZXHBCKFMDGXTJ-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN Nc1c(F)cccc1Sc1ccc(F)cc1F ZINC000037420779 173197648 /nfs/dbraw/zinc/19/76/48/173197648.db2.gz USZOWRHGJPMBGD-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN Fc1cccc2c1[nH]c(=S)n2Cc1ccccc1 ZINC000037422218 173198205 /nfs/dbraw/zinc/19/82/05/173198205.db2.gz AKMAVBGJNVAAFR-UHFFFAOYSA-N 0 0 258.321 3.886 10 0 CHAERN Cc1c(Cl)cccc1-n1c(N)nc2c1cccc2F ZINC000037421413 173198463 /nfs/dbraw/zinc/19/84/63/173198463.db2.gz BZEGSGONXMYRMN-UHFFFAOYSA-N 0 0 275.714 3.709 10 0 CHAERN CCn1c2ccc(C)cc2nc1-c1ccc(C)c(N)c1 ZINC000037438181 173208618 /nfs/dbraw/zinc/20/86/18/173208618.db2.gz OKEVCJYJRQRMTH-UHFFFAOYSA-N 0 0 265.360 3.922 10 0 CHAERN Nc1ccsc1-c1nc2cc(F)ccc2n1C1CC1 ZINC000037439780 173209361 /nfs/dbraw/zinc/20/93/61/173209361.db2.gz YMYQJAOYSYEZOK-UHFFFAOYSA-N 0 0 273.336 3.821 10 0 CHAERN O[C@@H](Cc1cccc(Br)c1)c1cccs1 ZINC000037464501 173225266 /nfs/dbraw/zinc/22/52/66/173225266.db2.gz QJPHTWBUQZVEKU-NSHDSACASA-N 0 0 283.190 3.787 10 0 CHAERN Nc1ccc(COc2cccc(F)c2)c(Br)c1 ZINC000037516108 173247556 /nfs/dbraw/zinc/24/75/56/173247556.db2.gz DTCDQJJXJFUYLE-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN C[C@@](O)(c1ccc(F)cc1)c1cccc(Br)c1 ZINC000037529269 173252850 /nfs/dbraw/zinc/25/28/50/173252850.db2.gz BFPZTTKKCXYQFC-CQSZACIVSA-N 0 0 295.151 3.844 10 0 CHAERN O[C@@]1(Cc2ccc(Cl)cc2)CCc2ccccc2C1 ZINC000037531311 173253395 /nfs/dbraw/zinc/25/33/95/173253395.db2.gz NHSQROAHYVWNSD-QGZVFWFLSA-N 0 0 272.775 3.803 10 0 CHAERN COc1cccc([C@](C)(O)Cc2ccccc2Cl)c1 ZINC000037531132 173253451 /nfs/dbraw/zinc/25/34/51/173253451.db2.gz ICVVDHCAGMCBSB-MRXNPFEDSA-N 0 0 276.763 3.799 10 0 CHAERN COc1ccccc1[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000037531145 173253468 /nfs/dbraw/zinc/25/34/68/173253468.db2.gz AIAURAQUSCNRIU-INIZCTEOSA-N 0 0 276.763 3.799 10 0 CHAERN Cn1ccc(N[C@@H](c2ccco2)c2ccc(Cl)s2)n1 ZINC000037560773 173271006 /nfs/dbraw/zinc/27/10/06/173271006.db2.gz FGQNLJAWUJDEFI-ZDUSSCGKSA-N 0 0 293.779 3.930 10 0 CHAERN Cc1cnn([C@@H](C)c2cc(F)c(Cl)cc2Cl)c1N ZINC000037735085 173654784 /nfs/dbraw/zinc/65/47/84/173654784.db2.gz BYXOGUKCHQDFPI-ZETCQYMHSA-N 0 0 288.153 3.829 10 0 CHAERN Cc1cc(Cl)nc(-c2ccc(OC(C)C)cc2)n1 ZINC000037742926 173664392 /nfs/dbraw/zinc/66/43/92/173664392.db2.gz HXDSKUUAGXZHPW-UHFFFAOYSA-N 0 0 262.740 3.893 10 0 CHAERN CCN(CC(C)C)c1ccc(N)cc1C(F)(F)F ZINC000037754527 173678279 /nfs/dbraw/zinc/67/82/79/173678279.db2.gz QTRBIRRWXJONMS-UHFFFAOYSA-N 0 0 260.303 3.770 10 0 CHAERN CC[C@@H](Nc1ccc(Cl)c(C(=O)NC)c1)C(C)C ZINC000037778854 173709605 /nfs/dbraw/zinc/70/96/05/173709605.db2.gz ITSCFCZPKLABOY-CYBMUJFWSA-N 0 0 268.788 3.546 10 0 CHAERN CNC(=O)c1cc(N[C@@H](C)c2cccs2)ccc1Cl ZINC000037778741 173709966 /nfs/dbraw/zinc/70/99/66/173709966.db2.gz XWRKPBUUYFUXAA-VIFPVBQESA-N 0 0 294.807 3.934 10 0 CHAERN CCNC(=O)c1ccc(N[C@H](C)CC(C)C)c(C)c1 ZINC000037779877 173710230 /nfs/dbraw/zinc/71/02/30/173710230.db2.gz ALNXMZNEDVMJQI-CYBMUJFWSA-N 0 0 262.397 3.591 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1ccc(N(C)C)c(Cl)c1 ZINC000037781291 173711600 /nfs/dbraw/zinc/71/16/00/173711600.db2.gz LDWAXZIOEHTEEV-DZGCQCFKSA-N 0 0 282.815 3.776 10 0 CHAERN CC[C@H](N[C@@H](C)c1cc[nH]n1)c1cccc(Cl)c1 ZINC000037907213 173838920 /nfs/dbraw/zinc/83/89/20/173838920.db2.gz XGOIDHLPKDKEBQ-GWCFXTLKSA-N 0 0 263.772 3.865 10 0 CHAERN CCOC(=O)[C@@](CC)(NCC1CC1)c1ccc(Cl)cc1 ZINC000037968012 173915258 /nfs/dbraw/zinc/91/52/58/173915258.db2.gz NTDTVYBXBOLSOS-INIZCTEOSA-N 0 0 295.810 3.508 10 0 CHAERN Cc1cc(Oc2nsnc2Cl)ccc1Cl ZINC000037981657 173941772 /nfs/dbraw/zinc/94/17/72/173941772.db2.gz VIZQFUPEALRMTD-UHFFFAOYSA-N 0 0 261.133 3.946 10 0 CHAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)Nc1ccc(F)cc1 ZINC000037982867 173943811 /nfs/dbraw/zinc/94/38/11/173943811.db2.gz NHLNGAWLPZHVNN-NSHDSACASA-N 0 0 288.322 3.756 10 0 CHAERN CCc1c(C)nc(-c2cccc(OC)c2)nc1Cl ZINC000038004047 173966335 /nfs/dbraw/zinc/96/63/35/173966335.db2.gz KHGVYOBLMKSBQM-UHFFFAOYSA-N 0 0 262.740 3.676 10 0 CHAERN C[C@@H](c1ccc(F)c(F)c1)N1CCc2c(N)cccc2C1 ZINC000038032654 174028854 /nfs/dbraw/zinc/02/88/54/174028854.db2.gz BAZDSNIXZFHHNJ-NSHDSACASA-N 0 0 288.341 3.666 10 0 CHAERN Cc1ccc(Nc2c(F)cc(N)cc2F)c(F)c1 ZINC000038040024 174040500 /nfs/dbraw/zinc/04/05/00/174040500.db2.gz KPKUZPGXMJOXCG-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN CC(C)(C)c1nc(COc2cccc(N)c2)cs1 ZINC000038055099 174066223 /nfs/dbraw/zinc/06/62/23/174066223.db2.gz RQFNBPJXGMABGB-UHFFFAOYSA-N 0 0 262.378 3.602 10 0 CHAERN Nc1cccc(OCc2coc(-c3cccs3)n2)c1 ZINC000038055000 174066373 /nfs/dbraw/zinc/06/63/73/174066373.db2.gz CGKXAIZVLGWYFH-UHFFFAOYSA-N 0 0 272.329 3.564 10 0 CHAERN Clc1ccc(Oc2cccc3c2NCCC3)nc1 ZINC000038068071 174079722 /nfs/dbraw/zinc/07/97/22/174079722.db2.gz GXVYBKMKOOZYNE-UHFFFAOYSA-N 0 0 260.724 3.885 10 0 CHAERN CCOC(=O)[C@](CC)(C[C@H](C)CC)N[C@@H](C)CC ZINC000038067828 174080026 /nfs/dbraw/zinc/08/00/26/174080026.db2.gz AFSNJYULCKGUNB-IPYPFGDCSA-N 0 0 257.418 3.523 10 0 CHAERN CCOc1ccc(-c2cccc(N)c2)cc1OCC ZINC000038069097 174081004 /nfs/dbraw/zinc/08/10/04/174081004.db2.gz RLXQNTMKBHERMT-UHFFFAOYSA-N 0 0 257.333 3.733 10 0 CHAERN C[C@@H]1Cc2cc(-c3cc(C=O)ccc3F)ccc2O1 ZINC000038071939 174082493 /nfs/dbraw/zinc/08/24/93/174082493.db2.gz KMWHJXCPALBBIC-SNVBAGLBSA-N 0 0 256.276 3.629 10 0 CHAERN COc1cccc(CNc2c(N)cccc2Cl)c1 ZINC000038077980 174087894 /nfs/dbraw/zinc/08/78/94/174087894.db2.gz VOHWWJGSVNTPJT-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Cc1nn2c(nc(C)cc2Cl)c1-c1cccc(F)c1 ZINC000038478138 174141921 /nfs/dbraw/zinc/14/19/21/174141921.db2.gz AUAJOJOQMVZTIU-UHFFFAOYSA-N 0 0 275.714 3.806 10 0 CHAERN Nc1ccc(F)cc1C(=O)c1ccc(Cl)cc1Cl ZINC000039643328 174171758 /nfs/dbraw/zinc/17/17/58/174171758.db2.gz OWVPHHSFGSUTBJ-UHFFFAOYSA-N 0 0 284.117 3.946 10 0 CHAERN CCc1ccc(OCCn2c(C)nc3ccccc32)cc1 ZINC000040224654 174208082 /nfs/dbraw/zinc/20/80/82/174208082.db2.gz ZGDHUEBHOQKPHF-UHFFFAOYSA-N 0 0 280.371 3.986 10 0 CHAERN COc1cccc(OCCCn2c(C)nc3ccccc32)c1 ZINC000040224683 174208175 /nfs/dbraw/zinc/20/81/75/174208175.db2.gz DYCVVIZWLPCORZ-UHFFFAOYSA-N 0 0 296.370 3.822 10 0 CHAERN CCOc1ccc(CNc2cccc(F)c2F)cc1 ZINC000040229826 174209201 /nfs/dbraw/zinc/20/92/01/174209201.db2.gz QIJAJMNONHAYLE-UHFFFAOYSA-N 0 0 263.287 3.976 10 0 CHAERN O[C@@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000040245082 174214578 /nfs/dbraw/zinc/21/45/78/174214578.db2.gz MSEDATJNGMDTMF-IRXDYDNUSA-N 0 0 254.329 3.566 10 0 CHAERN CCOc1ccc([C@H](O)c2cccs2)cc1OCC ZINC000040247509 174215025 /nfs/dbraw/zinc/21/50/25/174215025.db2.gz HJQNUUFHWSIISG-HNNXBMFYSA-N 0 0 278.373 3.627 10 0 CHAERN Cc1cc2nc(CCCO)n(CCC(C)C)c2cc1C ZINC000040310925 174230467 /nfs/dbraw/zinc/23/04/67/174230467.db2.gz XLVLOEHIFJIVGM-UHFFFAOYSA-N 0 0 274.408 3.624 10 0 CHAERN CSc1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 ZINC000040311866 174230985 /nfs/dbraw/zinc/23/09/85/174230985.db2.gz OJVIEKUTMYLJDM-UHFFFAOYSA-N 0 0 297.383 3.846 10 0 CHAERN Nc1cccc(OC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000040352126 174245099 /nfs/dbraw/zinc/24/50/99/174245099.db2.gz DJDAKGLVOYKLCK-CQSZACIVSA-N 0 0 298.169 3.688 10 0 CHAERN CC[C@H](Oc1ccc(C)cc1N)C(=O)c1cccs1 ZINC000040354813 174245444 /nfs/dbraw/zinc/24/54/44/174245444.db2.gz MLJXBUQRMRDDIM-LBPRGKRZSA-N 0 0 275.373 3.679 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C)c(C)c2)c(N)c1 ZINC000040354378 174245648 /nfs/dbraw/zinc/24/56/48/174245648.db2.gz YULGAXSGRIPAOZ-CQSZACIVSA-N 0 0 283.371 3.844 10 0 CHAERN Cc1c(Cl)ccc2c(NC(=O)c3cccnc3)ccnc12 ZINC000040359219 174246384 /nfs/dbraw/zinc/24/63/84/174246384.db2.gz WIMHVWHEVSKTHO-UHFFFAOYSA-N 0 0 297.745 3.844 10 0 CHAERN CC(C)(C)c1nc2ccccc2n1Cc1ccco1 ZINC000040390270 174252455 /nfs/dbraw/zinc/25/24/55/174252455.db2.gz MFDIGFJZUHQPKQ-UHFFFAOYSA-N 0 0 254.333 3.975 10 0 CHAERN COCCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040402964 174253553 /nfs/dbraw/zinc/25/35/53/174253553.db2.gz OSAOBJMTIAQAOT-UHFFFAOYSA-N 0 0 290.750 3.986 10 0 CHAERN COCCCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040402757 174253805 /nfs/dbraw/zinc/25/38/05/174253805.db2.gz HFPQHAKJQUPASG-UHFFFAOYSA-N 0 0 266.772 3.850 10 0 CHAERN CCOCCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040405096 174253963 /nfs/dbraw/zinc/25/39/63/174253963.db2.gz UXRZUACBADCWGA-UHFFFAOYSA-N 0 0 264.756 3.604 10 0 CHAERN CCCNc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687731 174375966 /nfs/dbraw/zinc/37/59/66/174375966.db2.gz SBKFCVRNXOGGPB-UHFFFAOYSA-N 0 0 294.358 3.826 10 0 CHAERN CC(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040708007 174380456 /nfs/dbraw/zinc/38/04/56/174380456.db2.gz UJKLQLGCMIKVIL-UHFFFAOYSA-N 0 0 294.811 3.684 10 0 CHAERN Cc1ccc(Oc2ncnc(NCCC(C)C)c2N)cc1 ZINC000040796235 174407968 /nfs/dbraw/zinc/40/79/68/174407968.db2.gz GMWMVEFZPBUOEI-UHFFFAOYSA-N 0 0 286.379 3.618 10 0 CHAERN Cc1cccc(-c2c(N)onc2-c2ccccc2)c1 ZINC000041305905 174514907 /nfs/dbraw/zinc/51/49/07/174514907.db2.gz IZCQHCUVMJBPGF-UHFFFAOYSA-N 0 0 250.301 3.899 10 0 CHAERN Cc1ccc(C[C@H](CO)Cc2cccc(F)c2)cc1 ZINC000041342458 174526205 /nfs/dbraw/zinc/52/62/05/174526205.db2.gz VWGAZQMDQFWUOB-INIZCTEOSA-N 0 0 258.336 3.528 10 0 CHAERN COc1cccc(C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000041355356 174533583 /nfs/dbraw/zinc/53/35/83/174533583.db2.gz XPZWRNXCVDODPQ-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN COc1cccc([C@H](O)c2c(F)cccc2Cl)c1 ZINC000041383937 174541068 /nfs/dbraw/zinc/54/10/68/174541068.db2.gz XFEODJWYDSNTQE-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN CCc1ccc(C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000041407569 174547756 /nfs/dbraw/zinc/54/77/56/174547756.db2.gz ZEKNRUUUDQFAOO-KRWDZBQOSA-N 0 0 272.363 3.782 10 0 CHAERN C[C@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1Cl ZINC000042289877 174675095 /nfs/dbraw/zinc/67/50/95/174675095.db2.gz ODURMLRHNXGAPV-TVQRCGJNSA-N 0 0 267.756 3.658 10 0 CHAERN CC(C)CN(c1ccc(N)cc1C(F)(F)F)C1CC1 ZINC000042556764 174793405 /nfs/dbraw/zinc/79/34/05/174793405.db2.gz FJJMEQVXMTUDME-UHFFFAOYSA-N 0 0 272.314 3.912 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1c(F)cc(N)cc1F ZINC000042577751 174802722 /nfs/dbraw/zinc/80/27/22/174802722.db2.gz UDNWAJMMHGIKDA-TVQRCGJNSA-N 0 0 254.324 3.928 10 0 CHAERN CC(C)CN(c1ccc2scnc2c1N)C(C)C ZINC000042579019 174803748 /nfs/dbraw/zinc/80/37/48/174803748.db2.gz QWHUISRVVMQOCD-UHFFFAOYSA-N 0 0 263.410 3.749 10 0 CHAERN CC(=O)Nc1ccc(NCc2ccc(O)c(Cl)c2)cc1 ZINC000043476646 175054417 /nfs/dbraw/zinc/05/44/17/175054417.db2.gz XSDFAHGBBDIYHN-UHFFFAOYSA-N 0 0 290.750 3.616 10 0 CHAERN CC[C@@H](CCOc1ccc(Br)cc1)[C@H](C)O ZINC000043657228 175085689 /nfs/dbraw/zinc/08/56/89/175085689.db2.gz WISSJHAYUAHHSI-QWRGUYRKSA-N 0 0 287.197 3.625 10 0 CHAERN COc1ccc(C[C@H]2CCCC[C@@H]2O)cc1Br ZINC000043658491 175085885 /nfs/dbraw/zinc/08/58/85/175085885.db2.gz ZKOKBKPZGONGES-YPMHNXCESA-N 0 0 299.208 3.551 10 0 CHAERN Cc1nn(Cc2ccc(Br)s2)c(C)c1C ZINC000043679001 175089521 /nfs/dbraw/zinc/08/95/21/175089521.db2.gz UUWCBQAXQGRIJE-UHFFFAOYSA-N 0 0 285.210 3.681 10 0 CHAERN CCc1c(C)nn(Cc2sccc2Br)c1C ZINC000043679016 175089767 /nfs/dbraw/zinc/08/97/67/175089767.db2.gz NWOGOEOHDSYPKH-UHFFFAOYSA-N 0 0 299.237 3.935 10 0 CHAERN FC(F)(F)c1ccccc1-c1ccnc(Cl)n1 ZINC000044117189 175142194 /nfs/dbraw/zinc/14/21/94/175142194.db2.gz QHKWFFHRJLKXPM-UHFFFAOYSA-N 0 0 258.630 3.816 10 0 CHAERN Cc1ccc(-c2ncc(Br)s2)cc1 ZINC000044119750 175142803 /nfs/dbraw/zinc/14/28/03/175142803.db2.gz WFKKABUBVJWWBU-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Fc1ccc(-c2cccc(Br)n2)cc1F ZINC000044120312 175142994 /nfs/dbraw/zinc/14/29/94/175142994.db2.gz ODUMVUSKQAHRRW-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN CC[C@H](C)NC(=O)c1ccccc1SC(F)F ZINC000044715340 175236511 /nfs/dbraw/zinc/23/65/11/175236511.db2.gz FVPJCZFMDLYFPI-QMMMGPOBSA-N 0 0 259.321 3.530 10 0 CHAERN CC[C@@H](C)NC(=O)c1ccccc1SC(F)F ZINC000044715338 175236529 /nfs/dbraw/zinc/23/65/29/175236529.db2.gz FVPJCZFMDLYFPI-MRVPVSSYSA-N 0 0 259.321 3.530 10 0 CHAERN COc1cccc(Nc2nc(C)cc(NC3CCCC3)n2)c1 ZINC000045167527 175319551 /nfs/dbraw/zinc/31/95/51/175319551.db2.gz KBGFYYOIPOOUPG-UHFFFAOYSA-N 0 0 298.390 3.892 10 0 CHAERN O=C(COc1cc(Cl)cc(Cl)c1)c1ccco1 ZINC000047820564 175413991 /nfs/dbraw/zinc/41/39/91/175413991.db2.gz KDFFALKVCXKJHR-UHFFFAOYSA-N 0 0 271.099 3.848 10 0 CHAERN CC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000047820607 175414074 /nfs/dbraw/zinc/41/40/74/175414074.db2.gz PWAIXBFJFQXZOU-UHFFFAOYSA-N 0 0 260.255 3.699 10 0 CHAERN CC[C@H]1CCc2sc(C(=O)N3CCCCC3)cc2C1 ZINC000050078391 175509405 /nfs/dbraw/zinc/50/94/05/175509405.db2.gz UPUDMBMTBFNJCW-LBPRGKRZSA-N 0 0 277.433 3.889 10 0 CHAERN Cc1ccccc1OCc1nc2c(c(Cl)n1)CCC2 ZINC000057328519 175592115 /nfs/dbraw/zinc/59/21/15/175592115.db2.gz RVVLTMMGVKQPGO-UHFFFAOYSA-N 0 0 274.751 3.506 10 0 CHAERN CCCOc1cccc(CNCc2nc3ccccc3[nH]2)c1 ZINC000057353416 175594683 /nfs/dbraw/zinc/59/46/83/175594683.db2.gz KDBMLCFKUUJKNI-UHFFFAOYSA-N 0 0 295.386 3.642 10 0 CHAERN COc1cc(Cl)ccc1-c1ccc(F)c(O)c1 ZINC000065341051 175710661 /nfs/dbraw/zinc/71/06/61/175710661.db2.gz WTVXZLGNYXMMSO-UHFFFAOYSA-N 0 0 252.672 3.860 10 0 CHAERN CC(C)(C)OC(=O)Nc1ccc(-c2ccc(O)cn2)cc1 ZINC000065356163 175721895 /nfs/dbraw/zinc/72/18/95/175721895.db2.gz JLXZKCUVPCZEKU-UHFFFAOYSA-N 0 0 286.331 3.801 10 0 CHAERN Cc1cc(Br)c2nc(C)nc(Cl)c2c1 ZINC000066347449 175758145 /nfs/dbraw/zinc/75/81/45/175758145.db2.gz HIDXRUGOTYUPCN-UHFFFAOYSA-N 0 0 271.545 3.663 10 0 CHAERN CC(C)(C)NC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000070236887 175882861 /nfs/dbraw/zinc/88/28/61/175882861.db2.gz WHKOQMZQDFVHQF-UHFFFAOYSA-N 0 0 281.570 3.570 10 0 CHAERN CC(=O)c1csc(Cc2ccccc2Cl)n1 ZINC000070848515 176008679 /nfs/dbraw/zinc/00/86/79/176008679.db2.gz LOBUCVJCZFHNRY-UHFFFAOYSA-N 0 0 251.738 3.590 10 0 CHAERN CC(=O)c1csc(-c2c(F)cccc2Cl)n1 ZINC000070848531 176008851 /nfs/dbraw/zinc/00/88/51/176008851.db2.gz CHZSIINHYJTZNI-UHFFFAOYSA-N 0 0 255.701 3.805 10 0 CHAERN Cc1c(Cl)nnc(N[C@@H](C)c2ccco2)c1C ZINC000071171308 176051310 /nfs/dbraw/zinc/05/13/10/176051310.db2.gz CKRPTKQUOCIWIB-VIFPVBQESA-N 0 0 251.717 3.513 10 0 CHAERN C[C@H]1CCC[C@H]1n1c(=S)[nH]nc1-c1ccccc1 ZINC000071208500 176081277 /nfs/dbraw/zinc/08/12/77/176081277.db2.gz ABONAPYROSHPMC-CMPLNLGQSA-N 0 0 259.378 3.969 10 0 CHAERN Cc1ccc(C(=O)C(C)(C)Br)c(C)c1 ZINC000071423467 176160712 /nfs/dbraw/zinc/16/07/12/176160712.db2.gz GGAXRNDYJDZNKI-UHFFFAOYSA-N 0 0 255.155 3.660 10 0 CHAERN Clc1c2c(nc3cc(-c4cccs4)nn31)CCC2 ZINC000071466659 176182727 /nfs/dbraw/zinc/18/27/27/176182727.db2.gz DTFZNHFDUVOIKN-UHFFFAOYSA-N 0 0 275.764 3.600 10 0 CHAERN Clc1c2c(nc3cc(-c4cccs4)nn31)CCCC2 ZINC000071466684 176182818 /nfs/dbraw/zinc/18/28/18/176182818.db2.gz ZHMCXMPOHYEFOP-UHFFFAOYSA-N 0 0 289.791 3.990 10 0 CHAERN COc1c(Br)ccc2ccc(C)cc21 ZINC000071477637 176187636 /nfs/dbraw/zinc/18/76/36/176187636.db2.gz BDAQLYJBPVIZAT-UHFFFAOYSA-N 0 0 251.123 3.919 10 0 CHAERN S=c1[nH]c(-c2cc(Br)cs2)cs1 ZINC000071629023 176236165 /nfs/dbraw/zinc/23/61/65/176236165.db2.gz STFDIXGCHLJQSZ-UHFFFAOYSA-N 0 0 278.221 3.923 10 0 CHAERN Cc1cccc(C[C@@H](C)Nc2nccc(C3CCCC3)n2)n1 ZINC000071750260 176259722 /nfs/dbraw/zinc/25/97/22/176259722.db2.gz NSVRCEUQVRPVHQ-CQSZACIVSA-N 0 0 296.418 3.881 10 0 CHAERN OCc1cccc(-n2ccc3cc(Cl)ccc32)c1 ZINC000071792053 176263257 /nfs/dbraw/zinc/26/32/57/176263257.db2.gz KWNYFTRFHLEDDI-UHFFFAOYSA-N 0 0 257.720 3.776 10 0 CHAERN COc1ccc2oc(=O)c(-c3ccc(C)cc3)cc2c1 ZINC000072124808 176320822 /nfs/dbraw/zinc/32/08/22/176320822.db2.gz DGCAQQRTNOKFHK-UHFFFAOYSA-N 0 0 266.296 3.777 10 0 CHAERN Clc1ccc(-n2nccc2-c2ccccn2)cc1 ZINC000072190539 176336316 /nfs/dbraw/zinc/33/63/16/176336316.db2.gz RACKWKJCFFMHJX-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN CC(C)c1cnc(Br)cc1Br ZINC000072192699 176336547 /nfs/dbraw/zinc/33/65/47/176336547.db2.gz LLVKCCVQDIGTKG-UHFFFAOYSA-N 0 0 278.975 3.730 10 0 CHAERN FC(F)(F)c1ccccc1-n1cnc(Br)c1 ZINC000072193540 176336647 /nfs/dbraw/zinc/33/66/47/176336647.db2.gz LZFJLSPNLFEGQL-UHFFFAOYSA-N 0 0 291.070 3.654 10 0 CHAERN COc1ccc(-c2nc(-c3ccncc3)cc(=S)[nH]2)cc1 ZINC000073695438 176486150 /nfs/dbraw/zinc/48/61/50/176486150.db2.gz ZLFXCUBQRXEOBD-UHFFFAOYSA-N 0 0 295.367 3.503 10 0 CHAERN CC[C@H](CCCCO[C@@H]1CCCCO1)C(=O)OC(C)C ZINC000077292405 177250221 /nfs/dbraw/zinc/25/02/21/177250221.db2.gz RICKYRZOKCFSNA-CABCVRRESA-N 0 0 286.412 3.678 10 0 in-vitro CHAERN FC(F)(F)c1cc2cc[nH]c2c(Br)c1 ZINC000079065628 177425758 /nfs/dbraw/zinc/42/57/58/177425758.db2.gz JXCFCEDSWJBWNT-UHFFFAOYSA-N 0 0 264.044 3.949 10 0 CHAERN Cc1nc(N2CC[C@H]3CCCC[C@H]32)ccc1Br ZINC000300417851 227381070 /nfs/dbraw/zinc/38/10/70/227381070.db2.gz WGBPLKCNFKTVET-DGCLKSJQSA-N 0 0 295.224 3.921 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000336241237 228220476 /nfs/dbraw/zinc/22/04/76/228220476.db2.gz SISQSLICKZRIOV-JQWIXIFHSA-N 0 0 263.768 3.618 10 0 CHAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cccnc1OC ZINC000037070596 260066567 /nfs/dbraw/zinc/06/65/67/260066567.db2.gz JZWSVYKJBGEDFB-HNNXBMFYSA-N 0 0 284.359 3.588 10 0 CHAERN Cc1cc(Br)cnc1NC(=O)[C@H]1CCC[C@@H]1C ZINC000230060176 260144996 /nfs/dbraw/zinc/14/49/96/260144996.db2.gz DSBXNEVYWJZODD-KWQFWETISA-N 0 0 297.196 3.527 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1Br ZINC000230054958 260145219 /nfs/dbraw/zinc/14/52/19/260145219.db2.gz OQZWKXJJFVTPCJ-JQWIXIFHSA-N 0 0 296.208 3.502 10 0 CHAERN c1ccc2c(c1)CCC[C@@H]2Nc1nc(C2CC2)ns1 ZINC000087641645 260215992 /nfs/dbraw/zinc/21/59/92/260215992.db2.gz OCOCSCRKGKPSKM-ZDUSSCGKSA-N 0 0 271.389 3.905 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cs1 ZINC000408101017 260230453 /nfs/dbraw/zinc/23/04/53/260230453.db2.gz GADAGMANFQVNSE-MRBYEJRBSA-N 0 0 295.452 3.636 10 0 CHAERN CCCn1ccc(CNc2cccc(OCCOC)c2)c1 ZINC000091012426 260264836 /nfs/dbraw/zinc/26/48/36/260264836.db2.gz DDDJKGDSSHTIJW-UHFFFAOYSA-N 0 0 288.391 3.535 10 0 CHAERN CCn1cccc1CNc1ccc(OC(F)F)cc1 ZINC000091022707 260265353 /nfs/dbraw/zinc/26/53/53/260265353.db2.gz YXVUGIVQGPSGFB-UHFFFAOYSA-N 0 0 266.291 3.722 10 0 CHAERN Cc1c(CNc2ccc(SC(F)F)cc2)cnn1C ZINC000093649422 260297639 /nfs/dbraw/zinc/29/76/39/260297639.db2.gz PIPXWDCWSLLPPU-UHFFFAOYSA-N 0 0 283.347 3.655 10 0 CHAERN O=C(CCC1CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000127569219 260368129 /nfs/dbraw/zinc/36/81/29/260368129.db2.gz AEIBZJJLWBUCJU-FUHWJXTLSA-N 0 0 293.451 3.501 10 0 CHAERN COC[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000128972966 260380306 /nfs/dbraw/zinc/38/03/06/260380306.db2.gz LUQPBNAIWDRGRK-CABCVRRESA-N 0 0 277.408 3.549 10 0 CHAERN CCC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000090223263 260456842 /nfs/dbraw/zinc/45/68/42/260456842.db2.gz ZOIONKJUSGYEOI-HZPDHXFCSA-N 0 0 284.407 3.552 10 0 CHAERN CCc1nnc(CS[C@H](C)c2cccc(C)c2)n1C ZINC000091030397 260471593 /nfs/dbraw/zinc/47/15/93/260471593.db2.gz HKAFVIKJYGWERS-GFCCVEGCSA-N 0 0 275.421 3.680 10 0 CHAERN COCCCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000121024445 260706696 /nfs/dbraw/zinc/70/66/96/260706696.db2.gz AUWVXUHJCIJALL-CQSZACIVSA-N 0 0 291.435 3.978 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccs3)c21 ZINC000103129792 261276154 /nfs/dbraw/zinc/27/61/54/261276154.db2.gz SNZYVTPANGKDRY-UHFFFAOYSA-N 0 0 284.384 3.510 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc2nc(C(C)C)sc2c1 ZINC000103387176 261281088 /nfs/dbraw/zinc/28/10/88/261281088.db2.gz ZBQWSWSHAJEDKF-SNVBAGLBSA-N 0 0 292.404 3.641 10 0 CHAERN Cc1ccc(C(=O)N(C(C)C)C2CCCCC2)c(C)n1 ZINC000103390768 261281233 /nfs/dbraw/zinc/28/12/33/261281233.db2.gz SBZCOMWBLDGRBE-UHFFFAOYSA-N 0 0 274.408 3.882 10 0 CHAERN Cc1nnc(CN[C@@H](c2ccccc2)C2CCC2)n1C1CC1 ZINC000104702547 261299049 /nfs/dbraw/zinc/29/90/49/261299049.db2.gz CISPVTCABNDHPD-SFHVURJKSA-N 0 0 296.418 3.552 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000176613994 261301686 /nfs/dbraw/zinc/30/16/86/261301686.db2.gz IZMNVJHJNDEWKK-OCCSQVGLSA-N 0 0 276.380 3.705 10 0 CHAERN FC(F)(F)[C@H]1CCC[C@@H](Nc2ncnc3ncccc32)C1 ZINC000163061122 261304114 /nfs/dbraw/zinc/30/41/14/261304114.db2.gz CKKROACJWNJZJG-VHSXEESVSA-N 0 0 296.296 3.558 10 0 CHAERN CCc1ccc([C@H](C)NCc2nc(-c3ccoc3)no2)cc1 ZINC000105607494 261311869 /nfs/dbraw/zinc/31/18/69/261311869.db2.gz GTTWZUBYOJSBDP-LBPRGKRZSA-N 0 0 297.358 3.743 10 0 CHAERN Cc1cccc(N(C)Cc2nc(-c3ccoc3)no2)c1C ZINC000105608307 261312175 /nfs/dbraw/zinc/31/21/75/261312175.db2.gz IUIACRQNAQATQP-UHFFFAOYSA-N 0 0 283.331 3.583 10 0 CHAERN Cc1cccc(C)c1NCc1nc(-c2ccoc2)no1 ZINC000105606406 261313251 /nfs/dbraw/zinc/31/32/51/261313251.db2.gz JQURQEVGVFLCRU-UHFFFAOYSA-N 0 0 269.304 3.559 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000176884745 261315740 /nfs/dbraw/zinc/31/57/40/261315740.db2.gz BMEJWLMRXJZBFS-AXTRIDKLSA-N 0 0 281.758 3.702 10 0 CHAERN CC(C)Cc1ccc([C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164628307 261356060 /nfs/dbraw/zinc/35/60/60/261356060.db2.gz OLFVYKMATVEVGT-YOEHRIQHSA-N 0 0 298.434 3.662 10 0 CHAERN CCC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000177827678 261370397 /nfs/dbraw/zinc/37/03/97/261370397.db2.gz AOZCICARUMAQKK-GHMZBOCLSA-N 0 0 277.330 3.804 10 0 CHAERN Cc1cnn(CCNc2ccnc3cc(Cl)ccc32)c1 ZINC000108949202 261389550 /nfs/dbraw/zinc/38/95/50/261389550.db2.gz XBMFBHWRMUIZJL-UHFFFAOYSA-N 0 0 286.766 3.505 10 0 CHAERN CCC[C@@H](N[C@@H]1CCCn2nc(CC)nc21)c1ccccc1 ZINC000167720123 261406034 /nfs/dbraw/zinc/40/60/34/261406034.db2.gz UIUBSSUGLGWJOV-HZPDHXFCSA-N 0 0 298.434 3.806 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccccc1COc1ccccc1 ZINC000170826862 261443860 /nfs/dbraw/zinc/44/38/60/261443860.db2.gz FSBSNPZZXIMDDG-SUMWQHHRSA-N 0 0 296.370 3.796 10 0 CHAERN C/C(=C\C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000172122462 261493443 /nfs/dbraw/zinc/49/34/43/261493443.db2.gz AIDHKLGYPGCXTL-WKOYGUFESA-N 0 0 295.386 3.567 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N(CC(C)C)C(C)C)o1 ZINC000172372240 261499188 /nfs/dbraw/zinc/49/91/88/261499188.db2.gz WDTXYJCRBAOKEO-CYBMUJFWSA-N 0 0 266.385 3.725 10 0 CHAERN COC[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000173364550 261530821 /nfs/dbraw/zinc/53/08/21/261530821.db2.gz MJWYQZTZJBDNJW-LBPRGKRZSA-N 0 0 295.448 3.858 10 0 CHAERN c1csc([C@H]2CCCCN2Cc2cccc3nccn32)n1 ZINC000179964358 261828602 /nfs/dbraw/zinc/82/86/02/261828602.db2.gz FQQRZMAHPLWHNL-CQSZACIVSA-N 0 0 298.415 3.518 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)c2ccc(Cl)nn2)CC(C)(C)C1 ZINC000180539535 261864433 /nfs/dbraw/zinc/86/44/33/261864433.db2.gz LCPVHVJLYMIGAF-MNOVXSKESA-N 0 0 295.814 3.555 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(C)c2ncccc2F)CC(C)(C)C1 ZINC000181127765 261885933 /nfs/dbraw/zinc/88/59/33/261885933.db2.gz SWMXQUFGNKKYRJ-RYUDHWBXSA-N 0 0 278.371 3.646 10 0 CHAERN CC[C@H](C)c1ccc(OCc2nnc(C3CC3)n2C)cc1 ZINC000183236475 261967520 /nfs/dbraw/zinc/96/75/20/261967520.db2.gz MUZXMFRJKWWBAE-LBPRGKRZSA-N 0 0 285.391 3.785 10 0 CHAERN Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)c1ccccc1C ZINC000183986875 262003722 /nfs/dbraw/zinc/00/37/22/262003722.db2.gz UBNGWNCYBKDYNP-ZDUSSCGKSA-N 0 0 299.418 3.746 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCC(C)C)cs1 ZINC000186143697 262082164 /nfs/dbraw/zinc/08/21/64/262082164.db2.gz XSTXRXVVFKHEPG-AWEZNQCLSA-N 0 0 295.452 3.734 10 0 CHAERN Cc1nc(-c2cccc(NCc3ccnc(C)n3)c2)cs1 ZINC000054790428 262273143 /nfs/dbraw/zinc/27/31/43/262273143.db2.gz CQSWTJSIUXAZOJ-UHFFFAOYSA-N 0 0 296.399 3.829 10 0 CHAERN CC[C@H](C)[C@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270133 262342588 /nfs/dbraw/zinc/34/25/88/262342588.db2.gz SHYLWSXMDOETQW-XOVPDBADSA-N 0 0 289.423 3.583 10 0 CHAERN C[C@@H]1CC(=O)N[C@H](c2nc(C3CCCCC3)no2)C1 ZINC000328849487 263879551 /nfs/dbraw/zinc/87/95/51/263879551.db2.gz UGDCYIRLFXJWSZ-ONGXEEELSA-N 0 0 263.341 3.545 10 0 CHAERN C[C@H](CC1CCCC1)C(=O)N1CCCc2c(N)cccc21 ZINC000126761181 264222753 /nfs/dbraw/zinc/22/27/53/264222753.db2.gz MOFDCAFIDNNHHN-CYBMUJFWSA-N 0 0 286.419 3.764 10 0 CHAERN Cc1cc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)co1 ZINC000189044529 264270691 /nfs/dbraw/zinc/27/06/91/264270691.db2.gz SOCNPHKPJYYOMD-BDJLRTHQSA-N 0 0 269.344 3.560 10 0 CHAERN Cc1oncc1CN[C@@H](C)c1ccc(Cl)s1 ZINC000189440728 264298436 /nfs/dbraw/zinc/29/84/36/264298436.db2.gz DRQPQUXSLQVVQE-ZETCQYMHSA-N 0 0 256.758 3.549 10 0 CHAERN FC(F)(F)CCCCNc1nc(C2CC2)ns1 ZINC000128962089 264313098 /nfs/dbraw/zinc/31/30/98/264313098.db2.gz CDLJWAMXFVKSAJ-UHFFFAOYSA-N 0 0 265.304 3.560 10 0 CHAERN CC(C)c1cnc(NC(=O)N[C@H](C)CC2CC2)s1 ZINC000192389513 264566125 /nfs/dbraw/zinc/56/61/25/264566125.db2.gz RQJOASPETAYYOU-SECBINFHSA-N 0 0 267.398 3.577 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000106516368 264931944 /nfs/dbraw/zinc/93/19/44/264931944.db2.gz BNHACVFRANCTBE-MNOVXSKESA-N 0 0 297.468 3.845 10 0 CHAERN Cc1ccc(CC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116047305 267120983 /nfs/dbraw/zinc/12/09/83/267120983.db2.gz PGSSSRCZNMCCAZ-ZDUSSCGKSA-N 0 0 275.373 3.556 10 0 CHAERN Cc1ccccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116043785 267121054 /nfs/dbraw/zinc/12/10/54/267121054.db2.gz ZYALIMMSAGTWJL-CQSZACIVSA-N 0 0 255.317 3.565 10 0 CHAERN O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccco1 ZINC000116049326 267121196 /nfs/dbraw/zinc/12/11/96/267121196.db2.gz RFKTYYFYDWSRRX-MRXNPFEDSA-N 0 0 292.338 3.805 10 0 CHAERN CCCCS[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047278 267121303 /nfs/dbraw/zinc/12/13/03/267121303.db2.gz XUVPKWOGDJASAG-QWHCGFSZSA-N 0 0 281.421 3.865 10 0 CHAERN c1coc([C@H]2CCCN2c2cnc3ccccc3n2)c1 ZINC000116262438 267135116 /nfs/dbraw/zinc/13/51/16/267135116.db2.gz HHKCTMBKDXLABU-CQSZACIVSA-N 0 0 265.316 3.564 10 0 CHAERN CC(=O)c1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116406005 267152028 /nfs/dbraw/zinc/15/20/28/267152028.db2.gz UQJPRWBPXYYYHJ-OAHLLOKOSA-N 0 0 298.342 3.851 10 0 CHAERN O=C(Nc1ccc(Cl)nc1)N1CCC[C@H]1c1ccco1 ZINC000116406188 267152267 /nfs/dbraw/zinc/15/22/67/267152267.db2.gz VJTBPHANAVQTQI-NSHDSACASA-N 0 0 291.738 3.697 10 0 CHAERN O=C(Nc1cc(F)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000116475368 267153122 /nfs/dbraw/zinc/15/31/22/267153122.db2.gz UFQIAEHTPIEKFI-ZDUSSCGKSA-N 0 0 292.285 3.927 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117567764 267216329 /nfs/dbraw/zinc/21/63/29/267216329.db2.gz QIAQLCDEQKBMHD-DYVFJYSZSA-N 0 0 281.355 3.807 10 0 CHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000117642959 267218102 /nfs/dbraw/zinc/21/81/02/267218102.db2.gz YHSZRVYVDZQGNR-DIFFPNOSSA-N 0 0 292.338 3.671 10 0 CHAERN C[C@H](CC1CC1)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000117967179 267231024 /nfs/dbraw/zinc/23/10/24/267231024.db2.gz QMKQLCJTHSAEMD-GFCCVEGCSA-N 0 0 290.432 3.735 10 0 CHAERN O=C([C@H]1CSc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000118229740 267245223 /nfs/dbraw/zinc/24/52/23/267245223.db2.gz NHRLKLWNASJFHN-UONOGXRCSA-N 0 0 299.395 3.833 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000370241785 267302592 /nfs/dbraw/zinc/30/25/92/267302592.db2.gz DMWMHOUTVCHJNE-ZANVPECISA-N 0 0 283.293 3.509 10 0 CHAERN CCc1nc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cs1 ZINC000119531599 267343899 /nfs/dbraw/zinc/34/38/99/267343899.db2.gz AXTJNJCOAIZJFE-UONOGXRCSA-N 0 0 292.448 3.538 10 0 CHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(C)(C)C ZINC000122582343 267872178 /nfs/dbraw/zinc/87/21/78/267872178.db2.gz OZKGOVONLRMNQS-TUAOUCFPSA-N 0 0 265.422 3.711 10 0 CHAERN Cc1cccc(OCCc2nc(C3CCCC3)no2)c1 ZINC000172046414 335091838 /nfs/dbraw/zinc/09/18/38/335091838.db2.gz AADXYJAKNVQNJA-UHFFFAOYSA-N 0 0 272.348 3.657 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178234945 327793227 /nfs/dbraw/zinc/79/32/27/327793227.db2.gz IQQJVNMGLWBOJM-DGCLKSJQSA-N 0 0 287.325 3.568 10 0 CHAERN CC[C@@H](Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000388590994 327910984 /nfs/dbraw/zinc/91/09/84/327910984.db2.gz ZACMCSQSRLTOMX-ZWNOBZJWSA-N 0 0 273.298 3.932 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000152047605 328007550 /nfs/dbraw/zinc/00/75/50/328007550.db2.gz CBFHSVPBOLJEED-JKSUJKDBSA-N 0 0 295.467 3.508 10 0 CHAERN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109082130 326824163 /nfs/dbraw/zinc/82/41/63/326824163.db2.gz XQGVTIMAVOBEFS-CHWSQXEVSA-N 0 0 291.272 3.846 10 0 CHAERN Cc1c(-c2nc(C3CCCC3)no2)cnn1CC(C)C ZINC000179459194 326830628 /nfs/dbraw/zinc/83/06/28/326830628.db2.gz WBMXXDZHBPQCQT-UHFFFAOYSA-N 0 0 274.368 3.555 10 0 CHAERN CC[C@@H](Nc1cc(NC(C)=O)ccc1OC)C(C)C ZINC000037296634 326843684 /nfs/dbraw/zinc/84/36/84/326843684.db2.gz DKZQEVCYLAFOFH-CYBMUJFWSA-N 0 0 264.369 3.500 10 0 CHAERN CCCOc1cc(C)ccc1NC(=O)c1cccc(N)c1 ZINC000037767564 326860865 /nfs/dbraw/zinc/86/08/65/326860865.db2.gz IUEJSGKBGNQUKD-UHFFFAOYSA-N 0 0 284.359 3.618 10 0 CHAERN O=C(/C=C\c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000255504919 326986308 /nfs/dbraw/zinc/98/63/08/326986308.db2.gz BQIOBXZQYWAFAI-WOLCWHLNSA-N 0 0 267.328 3.657 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000060249641 327019101 /nfs/dbraw/zinc/01/91/01/327019101.db2.gz UHGMGQNPVLHDQZ-MRVPVSSYSA-N 0 0 277.261 3.619 10 0 CHAERN CCCOc1ccc(NCc2cnn(C)c2C)cc1Cl ZINC000093650069 327133020 /nfs/dbraw/zinc/13/30/20/327133020.db2.gz MJBSQCMFRCNXMJ-UHFFFAOYSA-N 0 0 293.798 3.783 10 0 CHAERN COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000083318286 327147863 /nfs/dbraw/zinc/14/78/63/327147863.db2.gz WNVPWPSALZVHTN-RAXLEYEMSA-N 0 0 299.326 3.912 10 0 CHAERN c1ccc(SCCN2CCNc3ccccc32)cc1 ZINC000092262872 327190273 /nfs/dbraw/zinc/19/02/73/327190273.db2.gz GQKIBJOXTXPAQB-UHFFFAOYSA-N 0 0 270.401 3.711 10 0 CHAERN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C=O)cc1 ZINC000115455168 327300847 /nfs/dbraw/zinc/30/08/47/327300847.db2.gz KEXDPGQVLPTKFQ-KBXCAEBGSA-N 0 0 293.366 3.517 10 0 CHAERN Cc1cc(CN[C@H](C)c2csc(C)n2)cs1 ZINC000381382363 327525599 /nfs/dbraw/zinc/52/55/99/327525599.db2.gz LSWDAACZJPPJOU-SECBINFHSA-N 0 0 252.408 3.672 10 0 CHAERN COc1cccc([C@H](C)Nc2cn(C)nc2C(C)C)c1 ZINC000281019098 327597093 /nfs/dbraw/zinc/59/70/93/327597093.db2.gz ZFPUVLTZWAFPFX-LBPRGKRZSA-N 0 0 273.380 3.725 10 0 CHAERN COc1ccc(F)c(N[C@H]2CCc3ccccc32)c1 ZINC000094854803 328626832 /nfs/dbraw/zinc/62/68/32/328626832.db2.gz YEQXHPPCXSNQST-HNNXBMFYSA-N 0 0 257.308 3.934 10 0 CHAERN Clc1cnc(N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000070530186 328662069 /nfs/dbraw/zinc/66/20/69/328662069.db2.gz UPIIFVSPKVZSIP-NSHDSACASA-N 0 0 281.142 3.934 10 0 CHAERN Nc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070579054 328684605 /nfs/dbraw/zinc/68/46/05/328684605.db2.gz MWAJQSDPEYQCAP-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN CCCCCC(=O)O[C@H](C)CC(=O)OCc1ccccc1 ZINC000583653003 328727068 /nfs/dbraw/zinc/72/70/68/328727068.db2.gz SJXULFVVXKXDCG-CQSZACIVSA-N 0 0 292.375 3.632 10 0 CHAERN CCn1cc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cn1 ZINC000043644767 328809293 /nfs/dbraw/zinc/80/92/93/328809293.db2.gz TZTHGWSFBJBYCA-QMMMGPOBSA-N 0 0 298.799 3.501 10 0 CHAERN CC(C)OCC(C)(C)Nc1ccc(C(F)(F)F)cn1 ZINC000396343419 328820546 /nfs/dbraw/zinc/82/05/46/328820546.db2.gz AOAHGZREWBMICO-UHFFFAOYSA-N 0 0 276.302 3.716 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000171420057 329075734 /nfs/dbraw/zinc/07/57/34/329075734.db2.gz UBLQDMNYLLHYBT-CQSZACIVSA-N 0 0 281.440 3.619 10 0 CHAERN CC(C)[C@H](C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000171909816 329082108 /nfs/dbraw/zinc/08/21/08/329082108.db2.gz XKIDXJCQDSMNIE-AWEZNQCLSA-N 0 0 257.377 3.594 10 0 CHAERN CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000172247996 329084043 /nfs/dbraw/zinc/08/40/43/329084043.db2.gz DEVFOIAOEMHCMV-GOSISDBHSA-N 0 0 283.419 3.591 10 0 CHAERN Fc1ccc2oc(N[C@H]3CCOc4ccccc43)nc2c1 ZINC000172238049 329084061 /nfs/dbraw/zinc/08/40/61/329084061.db2.gz YVXFDJHXKMGOSQ-LBPRGKRZSA-N 0 0 284.290 3.903 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cc(F)ccc2Cl)o1 ZINC000218974409 329138298 /nfs/dbraw/zinc/13/82/98/329138298.db2.gz QAFZARKPNMNJNJ-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173408512 329146762 /nfs/dbraw/zinc/14/67/62/329146762.db2.gz FHVKQSGLQAVRLP-OCCSQVGLSA-N 0 0 294.464 3.984 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@@H](C)C(C)C)no1 ZINC000173439406 329146969 /nfs/dbraw/zinc/14/69/69/329146969.db2.gz CLWZELFMLACVKF-OLZOCXBDSA-N 0 0 293.411 3.539 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173439598 329146970 /nfs/dbraw/zinc/14/69/70/329146970.db2.gz QODGGYQTKJZHBY-OLZOCXBDSA-N 0 0 293.411 3.683 10 0 CHAERN O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1cccc(Cl)c1 ZINC000173759183 329148252 /nfs/dbraw/zinc/14/82/52/329148252.db2.gz LFYVUWAPQXJHJD-CABCVRRESA-N 0 0 291.778 3.804 10 0 CHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173520182 329148558 /nfs/dbraw/zinc/14/85/58/329148558.db2.gz UPEMJDYSVWCYSB-GOEBONIOSA-N 0 0 291.439 3.690 10 0 CHAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173914164 329151002 /nfs/dbraw/zinc/15/10/02/329151002.db2.gz DXPLNSKSYDPWDY-GJZGRUSLSA-N 0 0 299.418 3.876 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(C)c(Cl)c2)o1 ZINC000219483657 329164260 /nfs/dbraw/zinc/16/42/60/329164260.db2.gz YOPRLVQEJGLXRI-LLVKDONJSA-N 0 0 264.756 3.796 10 0 CHAERN CC(C)=C(F)C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000177511174 329185126 /nfs/dbraw/zinc/18/51/26/329185126.db2.gz IKUGIZJPNFZEDB-INIZCTEOSA-N 0 0 284.334 3.551 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccoc2)o1 ZINC000177299872 329185750 /nfs/dbraw/zinc/18/57/50/329185750.db2.gz XCZXTVGIXGBKHN-HNNXBMFYSA-N 0 0 287.359 3.867 10 0 CHAERN CCC(CC)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177733250 329186400 /nfs/dbraw/zinc/18/64/00/329186400.db2.gz ZTKYZQYSPAEOAW-CYBMUJFWSA-N 0 0 280.437 3.675 10 0 CHAERN C[C@H]1CC[C@@H](CC(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000177713884 329189650 /nfs/dbraw/zinc/18/96/50/329189650.db2.gz KPBDEKGYGRNDOS-NWDGAFQWSA-N 0 0 285.347 3.501 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(OC3CCCC3)c2)O1 ZINC000178013231 329191505 /nfs/dbraw/zinc/19/15/05/329191505.db2.gz YCRCXSPEEULSNS-LRDDRELGSA-N 0 0 289.375 3.514 10 0 CHAERN CSCCCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180219234 329218565 /nfs/dbraw/zinc/21/85/65/329218565.db2.gz JUNQIVMJABEKLC-STQMWFEESA-N 0 0 271.470 3.708 10 0 CHAERN CC(C)n1cc(CN2CC=C(c3cccs3)CC2)cn1 ZINC000179817704 329212381 /nfs/dbraw/zinc/21/23/81/329212381.db2.gz HQTRUHFDKRAWFR-UHFFFAOYSA-N 0 0 287.432 3.815 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2cnn(CC(F)F)c2)CC(C)(C)C1 ZINC000180610874 329221263 /nfs/dbraw/zinc/22/12/63/329221263.db2.gz WFOUJBHTVVPMHA-GHMZBOCLSA-N 0 0 299.365 3.549 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180989053 329224731 /nfs/dbraw/zinc/22/47/31/329224731.db2.gz VSAGMGXGSCZCLT-HUUCEWRRSA-N 0 0 288.435 3.893 10 0 CHAERN Cc1nnc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000181060313 329225629 /nfs/dbraw/zinc/22/56/29/329225629.db2.gz ZVWKUQCDPAVHLY-CYBMUJFWSA-N 0 0 293.370 3.896 10 0 CHAERN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)nc1 ZINC000181272137 329228661 /nfs/dbraw/zinc/22/86/61/329228661.db2.gz BIGCBLQAITYLLA-SMDDNHRTSA-N 0 0 288.391 3.685 10 0 CHAERN CCCn1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000181479872 329233581 /nfs/dbraw/zinc/23/35/81/329233581.db2.gz YTUHRVKPNJZDMI-GUYCJALGSA-N 0 0 297.402 3.662 10 0 CHAERN CC[C@H]1C[C@H](C(=O)N2CC=C(c3ccccc3)CC2)CCO1 ZINC000182410986 329242047 /nfs/dbraw/zinc/24/20/47/329242047.db2.gz DFGJSIPHPNVLFT-MSOLQXFVSA-N 0 0 299.414 3.508 10 0 CHAERN COCCC[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000182833018 329243227 /nfs/dbraw/zinc/24/32/27/329243227.db2.gz HDLGTCUHVBFJBX-GFCCVEGCSA-N 0 0 260.337 3.569 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCC(=O)c2cccs2)CC(C)(C)C1 ZINC000182948660 329245913 /nfs/dbraw/zinc/24/59/13/329245913.db2.gz XZVDDYPCBCITJB-NEPJUHHUSA-N 0 0 293.432 3.509 10 0 CHAERN CCn1cc([C@@H](C)Nc2ccccc2-n2ccc(C)n2)cn1 ZINC000183442506 329247818 /nfs/dbraw/zinc/24/78/18/329247818.db2.gz SNCGSJSTLQGVAE-CQSZACIVSA-N 0 0 295.390 3.570 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2cncc(F)c2)n1 ZINC000183441243 329247823 /nfs/dbraw/zinc/24/78/23/329247823.db2.gz CGNTWQQKDNGQNI-ZDUSSCGKSA-N 0 0 296.349 3.888 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2COc3cc(C)c(C)cc32)o1 ZINC000183934656 329254664 /nfs/dbraw/zinc/25/46/64/329254664.db2.gz ZECBDYKRCYQYFG-ZFWWWQNUSA-N 0 0 299.370 3.558 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2COc3cc(C)c(C)cc32)o1 ZINC000183934640 329254724 /nfs/dbraw/zinc/25/47/24/329254724.db2.gz ZECBDYKRCYQYFG-HIFRSBDPSA-N 0 0 299.370 3.558 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000184069626 329255539 /nfs/dbraw/zinc/25/55/39/329255539.db2.gz WTDYEHVDLNQDIB-YNEHKIRRSA-N 0 0 293.411 3.539 10 0 CHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000184068475 329255613 /nfs/dbraw/zinc/25/56/13/329255613.db2.gz VHRROFSLZVUYEZ-YUTCNCBUSA-N 0 0 294.464 3.840 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000184068507 329255620 /nfs/dbraw/zinc/25/56/20/329255620.db2.gz VHRROFSLZVUYEZ-UBHSHLNASA-N 0 0 294.464 3.840 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H](C)CC(C)C)C2)n1 ZINC000184828472 329263116 /nfs/dbraw/zinc/26/31/16/329263116.db2.gz DGZMFBGVXMYNIB-OCCSQVGLSA-N 0 0 294.464 3.840 10 0 CHAERN CC[C@@H](NC(=O)N1CCCC2(CC2)C1)c1cccs1 ZINC000185211196 329268824 /nfs/dbraw/zinc/26/88/24/329268824.db2.gz ABLPCASOUBHOHA-GFCCVEGCSA-N 0 0 278.421 3.785 10 0 CHAERN C=Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000185277995 329269980 /nfs/dbraw/zinc/26/99/80/329269980.db2.gz MHSKKGSHCZQKFQ-OAHLLOKOSA-N 0 0 298.411 3.806 10 0 CHAERN CN(Cc1ccccc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185851743 329333312 /nfs/dbraw/zinc/33/33/12/329333312.db2.gz UUCCHQUXCMRDPG-OAHLLOKOSA-N 0 0 284.359 3.669 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccc(C)c(F)c2)C12CCOCC2 ZINC000186447355 329342804 /nfs/dbraw/zinc/34/28/04/329342804.db2.gz GTPJASHFOOTURE-JKSUJKDBSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@@H](CCc1ccco1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186530188 329344792 /nfs/dbraw/zinc/34/47/92/329344792.db2.gz MSKNZROSISJAEY-LBPRGKRZSA-N 0 0 299.374 3.690 10 0 CHAERN C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186546612 329345072 /nfs/dbraw/zinc/34/50/72/329345072.db2.gz MGPATLGMZKHXCR-WCQYABFASA-N 0 0 273.380 3.655 10 0 CHAERN C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186539547 329345136 /nfs/dbraw/zinc/34/51/36/329345136.db2.gz ZEFCUZJOKXHGTA-SMDDNHRTSA-N 0 0 273.380 3.655 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)c(Cl)c1 ZINC000188305974 329365897 /nfs/dbraw/zinc/36/58/97/329365897.db2.gz PGSYZVQPEUESSU-QMTHXVAHSA-N 0 0 297.782 3.633 10 0 CHAERN O=C(c1ccc(C2CCC2)cc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000188911958 329373280 /nfs/dbraw/zinc/37/32/80/329373280.db2.gz ITIMUJBMKUQPRY-ROUUACIJSA-N 0 0 299.414 3.738 10 0 CHAERN C[C@@H]1CCSCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000190059364 329392085 /nfs/dbraw/zinc/39/20/85/329392085.db2.gz VZSINBPATDSULU-BPLDGKMQSA-N 0 0 281.465 3.557 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCC2CCC2)n1 ZINC000190390214 329395853 /nfs/dbraw/zinc/39/58/53/329395853.db2.gz OLAQYRTXDFBJLF-JSGCOSHPSA-N 0 0 278.396 3.721 10 0 CHAERN CC[C@@H](SC)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190394996 329396229 /nfs/dbraw/zinc/39/62/29/329396229.db2.gz JFRJJRKBVKYLTP-AXFHLTTASA-N 0 0 284.425 3.802 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccnc1 ZINC000112543249 329542134 /nfs/dbraw/zinc/54/21/34/329542134.db2.gz SQXAKVKMYCWQKQ-GFCCVEGCSA-N 0 0 281.359 3.530 10 0 CHAERN COc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1C ZINC000116040996 329544316 /nfs/dbraw/zinc/54/43/16/329544316.db2.gz XXJRIXCQWCOVQJ-AWEZNQCLSA-N 0 0 285.343 3.574 10 0 CHAERN O=C(CCCOc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000116046860 329544339 /nfs/dbraw/zinc/54/43/39/329544339.db2.gz BGANXTNCROSHQD-MRXNPFEDSA-N 0 0 299.370 3.802 10 0 CHAERN O=C(CSc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116045264 329544453 /nfs/dbraw/zinc/54/44/53/329544453.db2.gz IMVYXLGRDDQKRN-AWEZNQCLSA-N 0 0 287.384 3.735 10 0 CHAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000040634798 329557700 /nfs/dbraw/zinc/55/77/00/329557700.db2.gz UIFADLDCGRNCAI-GJZGRUSLSA-N 0 0 295.382 3.603 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)O1 ZINC000123754057 329562389 /nfs/dbraw/zinc/56/23/89/329562389.db2.gz FBMWEGKXHOTRJU-SWLSCSKDSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)Cc2cccc(O)c2)c2ccccc21 ZINC000124837800 329574496 /nfs/dbraw/zinc/57/44/96/329574496.db2.gz IJHWHBGHGFXCPP-ACJLOTCBSA-N 0 0 295.382 3.690 10 0 CHAERN CC(C)[C@H](C)NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000048843858 329630701 /nfs/dbraw/zinc/63/07/01/329630701.db2.gz OFMBPVRQRXCWIO-JTQLQIEISA-N 0 0 288.313 3.549 10 0 CHAERN O=C(c1cc(F)c(F)cc1F)N1CCC[C@H]1c1ccco1 ZINC000131441816 329635722 /nfs/dbraw/zinc/63/57/22/329635722.db2.gz VLIUOFLGBWEOIV-ZDUSSCGKSA-N 0 0 295.260 3.674 10 0 CHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000132660585 329648000 /nfs/dbraw/zinc/64/80/00/329648000.db2.gz UZXUEHRMNOXXFO-QWHCGFSZSA-N 0 0 276.380 3.700 10 0 CHAERN C[C@@H](c1ccccc1)N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000058577324 329678799 /nfs/dbraw/zinc/67/87/99/329678799.db2.gz YVPDKUNFYRCVSN-XJKSGUPXSA-N 0 0 296.370 3.523 10 0 CHAERN Cn1c(CN[C@H](c2ccccc2)C(C)(C)C)nnc1C1CC1 ZINC000195099759 329690514 /nfs/dbraw/zinc/69/05/14/329690514.db2.gz KEPGTQATFUUQGE-MRXNPFEDSA-N 0 0 298.434 3.570 10 0 CHAERN CCc1nc(CN2CCCC[C@H]2c2nccs2)cs1 ZINC000195361169 329691277 /nfs/dbraw/zinc/69/12/77/329691277.db2.gz VNHIMZHOIUDMAH-LBPRGKRZSA-N 0 0 293.461 3.889 10 0 CHAERN CC[C@@H](NC(=O)c1cc(Br)oc1C)C(C)C ZINC000396663056 329697404 /nfs/dbraw/zinc/69/74/04/329697404.db2.gz BICJGKBMVHYYPX-SNVBAGLBSA-N 0 0 288.185 3.515 10 0 CHAERN Cc1nccc(N2CC[C@@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245422382 329698607 /nfs/dbraw/zinc/69/86/07/329698607.db2.gz POULYUDMYAOMIF-BZNIZROVSA-N 0 0 271.339 3.512 10 0 CHAERN CC[C@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000067047069 329850444 /nfs/dbraw/zinc/85/04/44/329850444.db2.gz SEILNXHGUQUAPY-ZIAGYGMSSA-N 0 0 294.464 3.921 10 0 CHAERN CCC1CCC(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000074385678 329864243 /nfs/dbraw/zinc/86/42/43/329864243.db2.gz CXPMPWUTNJRLSZ-UHFFFAOYSA-N 0 0 290.407 3.533 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CC=CCC3)C2)cc1 ZINC000246704941 329869340 /nfs/dbraw/zinc/86/93/40/329869340.db2.gz RVPWQOFPMXBHEJ-USXIJHARSA-N 0 0 299.414 3.756 10 0 CHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C)C2)n1 ZINC000246714712 329869564 /nfs/dbraw/zinc/86/95/64/329869564.db2.gz KZKZJGBNNSJOGC-YNEHKIRRSA-N 0 0 292.448 3.629 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3occc3C)C2)cc1 ZINC000078187555 329947176 /nfs/dbraw/zinc/94/71/76/329947176.db2.gz VGNQPVDBFWIUCV-ZFWWWQNUSA-N 0 0 299.370 3.615 10 0 CHAERN CCC(C)(C)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000078187656 329947518 /nfs/dbraw/zinc/94/75/18/329947518.db2.gz GFBJTMOLAKBJES-UKRRQHHQSA-N 0 0 289.419 3.836 10 0 CHAERN O=C([O-])c1cccc(C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000263434928 330055647 /nfs/dbraw/zinc/05/56/47/330055647.db2.gz UFUIOYVJHCSNJG-UHFFFAOYSA-N 0 0 295.382 3.944 10 0 CHAERN CCCC[C@H]([NH2+][C@@H](C)c1ccc(SC)c(F)c1)C(=O)[O-] ZINC000263451557 330056472 /nfs/dbraw/zinc/05/64/72/330056472.db2.gz ZUPQNTQCGJIHQI-GWCFXTLKSA-N 0 0 299.411 3.842 10 0 CHAERN Cc1cc2cc(C(=O)N3CCS[C@@H](C)C3)oc2cc1C ZINC000080031263 330085665 /nfs/dbraw/zinc/08/56/65/330085665.db2.gz UIKYUWNRLAWTLX-LBPRGKRZSA-N 0 0 289.400 3.627 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)CC2CCC2)c2ccccc21 ZINC000162799456 330118750 /nfs/dbraw/zinc/11/87/50/330118750.db2.gz RVXLNYJCBXNDSD-LRDDRELGSA-N 0 0 257.377 3.931 10 0 CHAERN COCc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000036938967 330314777 /nfs/dbraw/zinc/31/47/77/330314777.db2.gz OOIZIZIOQZRNAY-QGZVFWFLSA-N 0 0 253.345 3.932 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)on1 ZINC000045235371 330340962 /nfs/dbraw/zinc/34/09/62/330340962.db2.gz KAMNKICWEGUTDD-LBPRGKRZSA-N 0 0 286.375 3.772 10 0 CHAERN CCC[C@H]([NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-] ZINC000086962554 330371309 /nfs/dbraw/zinc/37/13/09/330371309.db2.gz WGKKHLQLJQEYBD-IHRRRGAJSA-N 0 0 269.429 3.824 10 0 CHAERN CCc1ccsc1CNc1nc(C2CC2)ns1 ZINC000088290756 330375632 /nfs/dbraw/zinc/37/56/32/330375632.db2.gz OMIXJJGKCUDYOP-UHFFFAOYSA-N 0 0 265.407 3.652 10 0 CHAERN C[C@@H](NC(=O)[C@H]1CC1(C)C)c1ccc(F)c(Cl)c1 ZINC000119617627 330377436 /nfs/dbraw/zinc/37/74/36/330377436.db2.gz SPDQQXVNUAPIRW-PSASIEDQSA-N 0 0 269.747 3.702 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536950537 330382234 /nfs/dbraw/zinc/38/22/34/330382234.db2.gz SPOZWPVVSGQMHS-DZGCQCFKSA-N 0 0 290.407 3.820 10 0 CHAERN CCS(=O)(CC)=Nc1ccc(Br)cc1F ZINC000536950853 330382289 /nfs/dbraw/zinc/38/22/89/330382289.db2.gz LCMNFOHBUACGAO-UHFFFAOYSA-N 0 0 294.189 3.728 10 0 CHAERN CCC(=O)[C@@H]1CCCN(c2ccc(C(C)C)cc2)C1=O ZINC000536951383 330382411 /nfs/dbraw/zinc/38/24/11/330382411.db2.gz UUURSRUNNGACEX-HNNXBMFYSA-N 0 0 273.376 3.532 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536952114 330382489 /nfs/dbraw/zinc/38/24/89/330382489.db2.gz BFVJIROVRMRTLQ-CJNGLKHVSA-N 0 0 281.396 3.559 10 0 CHAERN Cc1ncccc1-c1c(F)cccc1Br ZINC000536957930 330383604 /nfs/dbraw/zinc/38/36/04/330383604.db2.gz IKWNHEZHHWYGQN-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN O=C(N[C@@H]1COc2ccccc21)c1ccc2ccccc2c1 ZINC000058725952 330391069 /nfs/dbraw/zinc/39/10/69/330391069.db2.gz HBJZAAMNEIKRGJ-QGZVFWFLSA-N 0 0 289.334 3.703 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000121032167 330395269 /nfs/dbraw/zinc/39/52/69/330395269.db2.gz LWPBBECHFAUTTG-MNOVXSKESA-N 0 0 294.361 3.985 10 0 CHAERN CCn1c(C)nnc1CSCc1ccccc1Cl ZINC000091026883 330397873 /nfs/dbraw/zinc/39/78/73/330397873.db2.gz ZMEUXIHUDCFLOL-UHFFFAOYSA-N 0 0 281.812 3.693 10 0 CHAERN C[C@@H]1CC[C@@H](Nc2cccc(Cn3cncn3)c2)C[C@@H]1C ZINC000084987445 330488830 /nfs/dbraw/zinc/48/88/30/330488830.db2.gz OTRLWBICTKAAPW-JKIFEVAISA-N 0 0 284.407 3.563 10 0 CHAERN CC(C)(C)[C@H](O)CSc1ccccc1Br ZINC000085218823 330489552 /nfs/dbraw/zinc/48/95/52/330489552.db2.gz GKXNKMDXJDWBAM-LLVKDONJSA-N 0 0 289.238 3.948 10 0 CHAERN CCCOc1ccccc1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085632311 330491923 /nfs/dbraw/zinc/49/19/23/330491923.db2.gz ZMWUITUZZJLTSY-MAZHCROVSA-N 0 0 275.392 3.701 10 0 CHAERN C=Cn1cc(CNc2nc3ccc(Cl)cc3s2)cn1 ZINC000195003267 331128172 /nfs/dbraw/zinc/12/81/72/331128172.db2.gz JYGAVGDBAZYMRH-UHFFFAOYSA-N 0 0 290.779 3.859 10 0 CHAERN O=C(Nc1cccc(Cl)c1)c1cccc2c1CCCN2 ZINC000165655945 331306279 /nfs/dbraw/zinc/30/62/79/331306279.db2.gz KNUJMZJKQFHICT-UHFFFAOYSA-N 0 0 286.762 3.950 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccc(C(F)(F)F)nn2)o1 ZINC000167069205 331307864 /nfs/dbraw/zinc/30/78/64/331307864.db2.gz BVIOSJLXWYYWDY-MRVPVSSYSA-N 0 0 271.242 3.570 10 0 CHAERN Cc1ccccc1CCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172100601 335094916 /nfs/dbraw/zinc/09/49/16/335094916.db2.gz NSSUGBUZMLQKJB-INIZCTEOSA-N 0 0 298.386 3.677 10 0 CHAERN CC(C)[C@@H](C(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000172914040 332953478 /nfs/dbraw/zinc/95/34/78/332953478.db2.gz VXOQCPQTQUAWEW-SJLPKXTDSA-N 0 0 295.382 3.676 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCC2CCC2)o1 ZINC000174041536 332989364 /nfs/dbraw/zinc/98/93/64/332989364.db2.gz DPZZYVFYNGTVQR-AWEZNQCLSA-N 0 0 276.380 3.625 10 0 CHAERN C[C@@H]1C[C@@H]1Nc1ccc(Br)c(C(F)(F)F)n1 ZINC000309831923 333050144 /nfs/dbraw/zinc/05/01/44/333050144.db2.gz YSZIETOZLQXJFQ-VDTYLAMSSA-N 0 0 295.102 3.683 10 0 CHAERN CCC(CC)CC(=O)N[C@H](C)COCc1ccccc1 ZINC000177014485 333052399 /nfs/dbraw/zinc/05/23/99/333052399.db2.gz IQWXCUQDLYTGOE-CQSZACIVSA-N 0 0 277.408 3.534 10 0 CHAERN CCc1nc(C(C)(C)C(=O)OC(C)(C)C)sc1C ZINC000310639369 333060652 /nfs/dbraw/zinc/06/06/52/333060652.db2.gz BRAWVJNEXHSCSO-UHFFFAOYSA-N 0 0 269.410 3.633 10 0 CHAERN CCc1cc(C(=O)N[C@H](C)c2cccs2)oc1CC ZINC000178322500 333070920 /nfs/dbraw/zinc/07/09/20/333070920.db2.gz WDPBIBCMMANIEQ-SNVBAGLBSA-N 0 0 277.389 3.957 10 0 CHAERN C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]CC1CCC(C)CC1 ZINC000311734538 333072009 /nfs/dbraw/zinc/07/20/09/333072009.db2.gz RQFYAFWHRPTXDK-RAFNIBEQSA-N 0 0 269.429 3.682 10 0 CHAERN CC(C)c1ccc([C@@H](C)Nc2ncnc3nn(C)cc32)cc1 ZINC000178859259 333077950 /nfs/dbraw/zinc/07/79/50/333077950.db2.gz HPPSDYUMZJJFQQ-GFCCVEGCSA-N 0 0 295.390 3.660 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccccc2F)cc1F ZINC000088234283 333087303 /nfs/dbraw/zinc/08/73/03/333087303.db2.gz PIIVSTMWZKZYAE-NSHDSACASA-N 0 0 275.298 3.764 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184388316 333128054 /nfs/dbraw/zinc/12/80/54/333128054.db2.gz YENMXGTVXHFZCB-VXGBXAGGSA-N 0 0 296.361 3.508 10 0 CHAERN CCCCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(Cl)c1 ZINC000184848301 333132558 /nfs/dbraw/zinc/13/25/58/333132558.db2.gz WEVQOKJYUOXCHN-IINYFYTJSA-N 0 0 281.783 3.657 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCCC3(CC3)C2)cc1F ZINC000185841687 333150157 /nfs/dbraw/zinc/15/01/57/333150157.db2.gz YHGNXSJFVLIARK-ZDUSSCGKSA-N 0 0 290.382 3.781 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(OC(C)C)cc2)o1 ZINC000220903104 333170579 /nfs/dbraw/zinc/17/05/79/333170579.db2.gz YPVNYXNPSBHGLS-CYBMUJFWSA-N 0 0 274.364 3.621 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000189234450 333187199 /nfs/dbraw/zinc/18/71/99/333187199.db2.gz MGHNDUOZBMCQCV-JQWIXIFHSA-N 0 0 251.345 3.748 10 0 CHAERN CCCCOc1cccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000189934923 333200721 /nfs/dbraw/zinc/20/07/21/333200721.db2.gz BJABXAFXLWYHCQ-CZUORRHYSA-N 0 0 291.391 3.619 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000190111644 333203146 /nfs/dbraw/zinc/20/31/46/333203146.db2.gz AABPAMYVMFVYOX-XJKSGUPXSA-N 0 0 275.392 3.588 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000190306537 333205542 /nfs/dbraw/zinc/20/55/42/333205542.db2.gz XDTNURLPDIKJPL-PRHODGIISA-N 0 0 288.174 3.747 10 0 CHAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000191910230 333227268 /nfs/dbraw/zinc/22/72/68/333227268.db2.gz RKTRDLZXVNLZEQ-IHRRRGAJSA-N 0 0 292.423 3.594 10 0 CHAERN CCC1CCC(NC(=O)N(C)[C@@H](C)c2cccnc2)CC1 ZINC000195253233 333249125 /nfs/dbraw/zinc/24/91/25/333249125.db2.gz WZUFDVAHWCMZHR-HLIUYOAVSA-N 0 0 289.423 3.753 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1O ZINC000226713803 333268290 /nfs/dbraw/zinc/26/82/90/333268290.db2.gz XILZROAMQVKDAT-ZDUSSCGKSA-N 0 0 269.344 3.500 10 0 CHAERN Clc1csc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000194345835 333269571 /nfs/dbraw/zinc/26/95/71/333269571.db2.gz PNYPGUCGXIAZKD-QWHCGFSZSA-N 0 0 271.813 3.545 10 0 CHAERN CC[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(C)C ZINC000227757892 333288109 /nfs/dbraw/zinc/28/81/09/333288109.db2.gz KZDHHNBHQIIYPY-OAHLLOKOSA-N 0 0 291.416 3.553 10 0 CHAERN CC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(C)C ZINC000227757898 333288130 /nfs/dbraw/zinc/28/81/30/333288130.db2.gz KZDHHNBHQIIYPY-HNNXBMFYSA-N 0 0 291.416 3.553 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000229734010 333308695 /nfs/dbraw/zinc/30/86/95/333308695.db2.gz ARSNLBSSNZOQNH-KOLCDFICSA-N 0 0 256.802 3.821 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1 ZINC000230056019 333312653 /nfs/dbraw/zinc/31/26/53/333312653.db2.gz OLXIVZXIDPZBBB-GWCFXTLKSA-N 0 0 296.208 3.502 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C)ncc1Br ZINC000230058730 333312777 /nfs/dbraw/zinc/31/27/77/333312777.db2.gz OJKBMRYJODPUBR-PSASIEDQSA-N 0 0 297.196 3.527 10 0 CHAERN CC1CCC(c2noc(-c3ccc(O)cc3F)n2)CC1 ZINC000230229052 333316139 /nfs/dbraw/zinc/31/61/39/333316139.db2.gz MAFWPMOGLZOWAN-UHFFFAOYSA-N 0 0 276.311 3.875 10 0 CHAERN Cc1cnc([C@@H](C)Nc2cccc(C(F)(F)F)n2)o1 ZINC000235242676 333366982 /nfs/dbraw/zinc/36/69/82/333366982.db2.gz GZSAEGCKFLNJAE-MRVPVSSYSA-N 0 0 271.242 3.570 10 0 CHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CC(F)(F)F ZINC000123423766 333511433 /nfs/dbraw/zinc/51/14/33/333511433.db2.gz NNOLBAXDUCCOGH-CYBMUJFWSA-N 0 0 285.309 3.769 10 0 CHAERN CCCC(CCC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000123943303 333554799 /nfs/dbraw/zinc/55/47/99/333554799.db2.gz CTWPZVWRNLRFGL-LBPRGKRZSA-N 0 0 251.370 3.982 10 0 CHAERN O=C(CC1CCCC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128910979 333726437 /nfs/dbraw/zinc/72/64/37/333726437.db2.gz PJFNTMSSVUIJDS-AWEZNQCLSA-N 0 0 299.336 3.857 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070059443 333798347 /nfs/dbraw/zinc/79/83/47/333798347.db2.gz ISWRIVJGWQHLRJ-VXGBXAGGSA-N 0 0 292.345 3.549 10 0 CHAERN CCN(CC1CC1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070059444 333798395 /nfs/dbraw/zinc/79/83/95/333798395.db2.gz ISWRIVJGWQHLRJ-NEPJUHHUSA-N 0 0 292.345 3.549 10 0 CHAERN CS[C@H](C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130533443 333850412 /nfs/dbraw/zinc/85/04/12/333850412.db2.gz JEKZETIXJPLXEA-DAXOMENPSA-N 0 0 291.460 3.781 10 0 CHAERN Cc1nccc(N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000133841463 334063500 /nfs/dbraw/zinc/06/35/00/334063500.db2.gz VIBYQIWGLKNWHD-NHYWBVRUSA-N 0 0 253.349 3.836 10 0 CHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H]1C[C@@H]1C ZINC000075977342 334064038 /nfs/dbraw/zinc/06/40/38/334064038.db2.gz XKSFIIQXVNQJJN-XHVZSJERSA-N 0 0 272.348 3.510 10 0 CHAERN CCN(Cc1nccn1CC)c1cc(C)ccc1C ZINC000076292692 334078491 /nfs/dbraw/zinc/07/84/91/334078491.db2.gz OTNDTDKVQYLNSM-UHFFFAOYSA-N 0 0 257.381 3.546 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000079411710 334153762 /nfs/dbraw/zinc/15/37/62/334153762.db2.gz XTXSRRLCZOSACI-QWHCGFSZSA-N 0 0 265.372 3.555 10 0 CHAERN C[C@@H](NC(=O)CC1CCC1)c1cccc(Br)c1 ZINC000079479478 334155160 /nfs/dbraw/zinc/15/51/60/334155160.db2.gz MBRGXTAFGVRBCZ-SNVBAGLBSA-N 0 0 296.208 3.817 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cccc(N3CCCC3=O)c2)C1 ZINC000080428414 334171336 /nfs/dbraw/zinc/17/13/36/334171336.db2.gz IDZKFGPQEYVRMY-DZGCQCFKSA-N 0 0 272.392 3.804 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2cc(C(=O)N(C)C)ccc2C)C1 ZINC000080434645 334171444 /nfs/dbraw/zinc/17/14/44/334171444.db2.gz YKQJJJIAHBFVBA-UKRRQHHQSA-N 0 0 274.408 3.687 10 0 CHAERN CCCNC(=O)c1cccc(N[C@@H]2CC[C@@H](CC)C2)c1 ZINC000080430807 334171473 /nfs/dbraw/zinc/17/14/73/334171473.db2.gz YEJBWOHQJKSJSL-CZUORRHYSA-N 0 0 274.408 3.817 10 0 CHAERN C[C@H](N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1(C)CC1 ZINC000245883370 334222710 /nfs/dbraw/zinc/22/27/10/334222710.db2.gz KXVJYPNYQLTBGX-DRZSPHRISA-N 0 0 293.357 3.715 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245910922 334223757 /nfs/dbraw/zinc/22/37/57/334223757.db2.gz MJOYAJAQSGBQDN-VVLHAWIVSA-N 0 0 287.378 3.756 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000246083577 334230155 /nfs/dbraw/zinc/23/01/55/334230155.db2.gz LDYAJDWQNKQSQU-OAUYIBNBSA-N 0 0 298.361 3.623 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccc(F)c(Cl)c1 ZINC000246385066 334255112 /nfs/dbraw/zinc/25/51/12/334255112.db2.gz BMEJWLMRXJZBFS-UWJYBYFXSA-N 0 0 281.758 3.702 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246613162 334265380 /nfs/dbraw/zinc/26/53/80/334265380.db2.gz CJWWIDJXHWBFKX-KQXJFYCDSA-N 0 0 284.186 3.622 10 0 CHAERN COC(C)(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246899787 334271549 /nfs/dbraw/zinc/27/15/49/334271549.db2.gz YVRIFNKAEWUSSM-AEGPPILISA-N 0 0 281.440 3.523 10 0 CHAERN C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000247326138 334279044 /nfs/dbraw/zinc/27/90/44/334279044.db2.gz LYKYDQQBPHHLSU-SLEUVZQESA-N 0 0 267.800 3.542 10 0 CHAERN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000247536414 334284857 /nfs/dbraw/zinc/28/48/57/334284857.db2.gz PZNXAZUSUMJSPU-AVGNSLFASA-N 0 0 264.369 3.561 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NC2C[C@H](C)O[C@@H](C)C2)CC(C)(C)C1 ZINC000248566530 334306376 /nfs/dbraw/zinc/30/63/76/334306376.db2.gz NLTYLCLAQQZQMR-RFGFWPKPSA-N 0 0 281.440 3.521 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NC2C[C@@H](C)O[C@H](C)C2)CC(C)(C)C1 ZINC000248566534 334306478 /nfs/dbraw/zinc/30/64/78/334306478.db2.gz NLTYLCLAQQZQMR-SYQHCUMBSA-N 0 0 281.440 3.521 10 0 CHAERN CCOC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248599715 334307759 /nfs/dbraw/zinc/30/77/59/334307759.db2.gz UGVMQHFRNUZGFM-BZUAXINKSA-N 0 0 295.467 3.724 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCS[C@@H](C)CC2)CC(C)(C)C1 ZINC000248658129 334311528 /nfs/dbraw/zinc/31/15/28/334311528.db2.gz FVVCEQQMMVDIKU-HZSPNIEDSA-N 0 0 283.481 3.803 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCSC[C@@H](C)C2)CC(C)(C)C1 ZINC000248992821 334323933 /nfs/dbraw/zinc/32/39/33/334323933.db2.gz HKNMUPIBAYXGDE-HZSPNIEDSA-N 0 0 283.481 3.660 10 0 CHAERN C[C@H](C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000249354857 334332390 /nfs/dbraw/zinc/33/23/90/334332390.db2.gz QWNFCPYTVPBXIJ-NXNVCVFFSA-N 0 0 271.404 3.827 10 0 CHAERN CCCC(CCC)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000251217493 334358341 /nfs/dbraw/zinc/35/83/41/334358341.db2.gz XZXLLJVDQCNIJH-GVDBMIGSSA-N 0 0 295.467 3.745 10 0 CHAERN CCN(C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000153111281 334558270 /nfs/dbraw/zinc/55/82/70/334558270.db2.gz GEBLDPOFCIBNMC-WBMJQRKESA-N 0 0 272.392 3.819 10 0 CHAERN CC(C)(C)CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153275840 334581372 /nfs/dbraw/zinc/58/13/72/334581372.db2.gz GHOLZIMWGOQUDE-CQSZACIVSA-N 0 0 263.356 3.756 10 0 CHAERN CC[C@H](CC(=O)N[C@@H](C)C(C)C)c1ccc(OC)cc1 ZINC000154448864 334694807 /nfs/dbraw/zinc/69/48/07/334694807.db2.gz CBTOLEFDWLPGOW-UONOGXRCSA-N 0 0 277.408 3.740 10 0 CHAERN COc1ccc([C@H](C)C(=O)Nc2cccc(C)c2F)cc1 ZINC000181789040 335785592 /nfs/dbraw/zinc/78/55/92/335785592.db2.gz UPZQYQCFYCILNA-LBPRGKRZSA-N 0 0 287.334 3.885 10 0 CHAERN FCC[C@H]1CCC[C@@H]1Nc1cncc(Br)c1 ZINC000381841673 336074217 /nfs/dbraw/zinc/07/42/17/336074217.db2.gz QKALACZHXXCKHY-SKDRFNHKSA-N 0 0 287.176 3.784 10 0 CHAERN COCc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000382520826 336092274 /nfs/dbraw/zinc/09/22/74/336092274.db2.gz AHVYFWIXIHZGAN-CYBMUJFWSA-N 0 0 259.349 3.585 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)N[C@@H](C)C(C)C ZINC000053000837 520154098 /nfs/dbraw/zinc/15/40/98/520154098.db2.gz KSOWMQYWJTWRFO-ZDUSSCGKSA-N 0 0 262.397 3.591 10 0 CHAERN CCCOc1cccc([C@@H](NC)c2nc(C)cs2)c1 ZINC000052921848 520464629 /nfs/dbraw/zinc/46/46/29/520464629.db2.gz PVNYKLUBUUKMQZ-CQSZACIVSA-N 0 0 276.405 3.549 10 0 CHAERN CCC[C@H](C)N(C)c1ccc(C(N)=S)cc1Cl ZINC000062795321 521035959 /nfs/dbraw/zinc/03/59/59/521035959.db2.gz VSWWZFMUDMOLRX-VIFPVBQESA-N 0 0 270.829 3.599 10 0 CHAERN CCN(c1ncc(C(C)=O)s1)c1ccc(C)cc1 ZINC000054863036 521506883 /nfs/dbraw/zinc/50/68/83/521506883.db2.gz XMNMGPOCQPHFLJ-UHFFFAOYSA-N 0 0 260.362 3.812 10 0 CHAERN Cc1c(Cl)c(-c2nc(C(C)(C)C3CCC3)no2)nn1C ZINC000333904134 533865373 /nfs/dbraw/zinc/86/53/73/533865373.db2.gz ZYFYZJSUQZUAPC-UHFFFAOYSA-N 0 0 294.786 3.510 10 0 CHAERN Cc1ccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)o1 ZINC000275534204 533925689 /nfs/dbraw/zinc/92/56/89/533925689.db2.gz MCQXSZCDRHDXRQ-MRXNPFEDSA-N 0 0 285.391 3.527 10 0 CHAERN C[C@H]1CN(c2ccnc3c(F)cc(F)cc23)C[C@H](C)S1 ZINC000302408012 533985596 /nfs/dbraw/zinc/98/55/96/533985596.db2.gz HFTYHFSLFQBRCU-UWVGGRQHSA-N 0 0 294.370 3.843 10 0 CHAERN C[C@H](Nc1nnc(C(C)(C)C)s1)c1ccco1 ZINC000301716813 534035136 /nfs/dbraw/zinc/03/51/36/534035136.db2.gz HIJARDDPUQACNT-QMMMGPOBSA-N 0 0 251.355 3.602 10 0 CHAERN C[C@H]1CCC[C@@H]1c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000333720166 534181400 /nfs/dbraw/zinc/18/14/00/534181400.db2.gz NUCCCOOQOUZMOT-JQWIXIFHSA-N 0 0 296.330 3.690 10 0 CHAERN CCCc1noc(NCc2ccccc2C(F)(F)F)n1 ZINC000057353950 517622004 /nfs/dbraw/zinc/62/20/04/517622004.db2.gz STJXVWVBZHQJCJ-UHFFFAOYSA-N 0 0 285.269 3.653 10 0 CHAERN CC(C)=C(F)C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000151059962 519389381 /nfs/dbraw/zinc/38/93/81/519389381.db2.gz TWFHWDLGTYTKLX-VXGBXAGGSA-N 0 0 265.328 3.843 10 0 CHAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccccc1Br ZINC000086340305 519597136 /nfs/dbraw/zinc/59/71/36/519597136.db2.gz NNSFISHSNMSUGH-JTQLQIEISA-N 0 0 299.212 3.560 10 0 CHAERN CC(C)CC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000055743283 519602484 /nfs/dbraw/zinc/60/24/84/519602484.db2.gz OUSOWFORFJOSSM-SECBINFHSA-N 0 0 257.736 3.702 10 0 CHAERN CC(C)C[C@@H](C)N(C)c1cccc(Cl)c1C(N)=S ZINC000052907092 519772677 /nfs/dbraw/zinc/77/26/77/519772677.db2.gz BWVQHPDBEPTZSN-SNVBAGLBSA-N 0 0 284.856 3.845 10 0 CHAERN CC(C)[C@@H](C)N(C)c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000054862335 519791322 /nfs/dbraw/zinc/79/13/22/519791322.db2.gz NSLITZLMBWDERX-SNVBAGLBSA-N 0 0 280.437 3.779 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccccn2)cc1 ZINC000126828410 519839562 /nfs/dbraw/zinc/83/95/62/519839562.db2.gz ATHVOZJQOIJDFQ-ROUUACIJSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1ccccc1N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094634841 519846776 /nfs/dbraw/zinc/84/67/76/519846776.db2.gz SRUSJUZWJMOQTD-UONOGXRCSA-N 0 0 295.448 3.578 10 0 CHAERN CCC1CCC(NC(=O)N[C@H](C)c2ncc(C)s2)CC1 ZINC000078310067 519855687 /nfs/dbraw/zinc/85/56/87/519855687.db2.gz OKGNAOGMDWZFPH-PNESKVBLSA-N 0 0 295.452 3.781 10 0 CHAERN CCCNC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151245196 519886073 /nfs/dbraw/zinc/88/60/73/519886073.db2.gz SKKZZXBNJMZFCE-CQSZACIVSA-N 0 0 288.391 3.532 10 0 CHAERN CCCC1CCN(c2cc(Cl)ccc2C(N)=S)CC1 ZINC000062788513 519903917 /nfs/dbraw/zinc/90/39/17/519903917.db2.gz JZTWBRLRYFGSAU-UHFFFAOYSA-N 0 0 296.867 3.991 10 0 CHAERN CCCC1CCN(c2nc3c(s2)[C@H](O)CCC3)CC1 ZINC000054911513 519904273 /nfs/dbraw/zinc/90/42/73/519904273.db2.gz XEKCSKVHDNKAHC-CYBMUJFWSA-N 0 0 280.437 3.529 10 0 CHAERN CCCC1CCN(c2nc3c(s2)[C@@H](O)CCC3)CC1 ZINC000054911514 519904423 /nfs/dbraw/zinc/90/44/23/519904423.db2.gz XEKCSKVHDNKAHC-ZDUSSCGKSA-N 0 0 280.437 3.529 10 0 CHAERN CCN(C(=O)N[C@@H]1C[C@@H]1C)[C@@H](C)c1cc2ccccc2o1 ZINC000075977523 519984472 /nfs/dbraw/zinc/98/44/72/519984472.db2.gz FPXZJYSFGUVPMW-SGMGOOAPSA-N 0 0 286.375 3.934 10 0 CHAERN CCCCCC[C@@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000061518655 520117218 /nfs/dbraw/zinc/11/72/18/520117218.db2.gz QRXUXORYKPHVKC-MRVPVSSYSA-N 0 0 277.199 3.949 10 0 CHAERN CCCNc1ccc(C(=O)N(C)[C@H](C)C(C)C)cc1 ZINC000050754936 520142112 /nfs/dbraw/zinc/14/21/12/520142112.db2.gz OPNZEBGJDVSBFG-CYBMUJFWSA-N 0 0 262.397 3.625 10 0 CHAERN CCCCC[C@H](O)C1(c2ccccc2)CCOCC1 ZINC000062783449 520315363 /nfs/dbraw/zinc/31/53/63/520315363.db2.gz QDYCZPHBSRAZIY-INIZCTEOSA-N 0 0 262.393 3.676 10 0 CHAERN CCCCN(C(=O)c1ccc(NC)cc1)[C@@H](C)CC ZINC000050791513 520360250 /nfs/dbraw/zinc/36/02/50/520360250.db2.gz JLHWDGPYQHWZLI-ZDUSSCGKSA-N 0 0 262.397 3.769 10 0 CHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccsc2)C12CCCC2 ZINC000150802303 520406785 /nfs/dbraw/zinc/40/67/85/520406785.db2.gz HZMOXUJKSHXRTK-UONOGXRCSA-N 0 0 293.432 3.558 10 0 CHAERN CCN(CC)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000098033954 520511190 /nfs/dbraw/zinc/51/11/90/520511190.db2.gz MGAAAUSILDVYJP-VIFPVBQESA-N 0 0 272.751 3.592 10 0 CHAERN CCCCN(c1nc(CC)c(CO)s1)[C@H](C)CC ZINC000055014702 520552711 /nfs/dbraw/zinc/55/27/11/520552711.db2.gz VCMVBUMJQWRRPV-LLVKDONJSA-N 0 0 270.442 3.603 10 0 CHAERN CC1(C)C[C@H](NCc2cscn2)c2ccccc2O1 ZINC000126886225 520555363 /nfs/dbraw/zinc/55/53/63/520555363.db2.gz ZYNCLJDAHHZRDV-ZDUSSCGKSA-N 0 0 274.389 3.535 10 0 CHAERN CCOc1cc(Cl)c2c(c1OCC)C(=O)CCC2 ZINC000054741819 520734670 /nfs/dbraw/zinc/73/46/70/520734670.db2.gz MQNWEEKUSOOHPT-UHFFFAOYSA-N 0 0 268.740 3.656 10 0 CHAERN CCC[C@H](C)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852362 521074210 /nfs/dbraw/zinc/07/42/10/521074210.db2.gz AUJLYQMFIMNBKI-QMMMGPOBSA-N 0 0 271.286 3.998 10 0 CHAERN CCCC[C@H](C)NC(=O)C(CCC)(CCC)C(N)=S ZINC000050889603 521143899 /nfs/dbraw/zinc/14/38/99/521143899.db2.gz LAQXPAKFFQHLPJ-LBPRGKRZSA-N 0 0 286.485 3.554 10 0 CHAERN CCC[C@H](NCc1ncc(Cl)n1C)c1cccs1 ZINC000049544726 521165935 /nfs/dbraw/zinc/16/59/35/521165935.db2.gz GYRNHXROJAVQMG-JTQLQIEISA-N 0 0 283.828 3.766 10 0 CHAERN CCCCc1nc(Cl)c(CNc2cccc(CO)c2)[nH]1 ZINC000088398926 521303995 /nfs/dbraw/zinc/30/39/95/521303995.db2.gz YSCWLNBSIYRVTF-UHFFFAOYSA-N 0 0 293.798 3.510 10 0 CHAERN CCOC(=O)[C@]1(Nc2ccccc2Cl)CCCSC1 ZINC000061590535 521357840 /nfs/dbraw/zinc/35/78/40/521357840.db2.gz NJFNIYZCEYIMQZ-AWEZNQCLSA-N 0 0 299.823 3.581 10 0 CHAERN CCN(c1cccc(F)c1)c1cc(C)nc(Cl)n1 ZINC000052814903 521497082 /nfs/dbraw/zinc/49/70/82/521497082.db2.gz OPGQGXBFWSISOQ-UHFFFAOYSA-N 0 0 265.719 3.736 10 0 CHAERN CCN(c1nc(C)c(C=O)s1)c1ccccc1F ZINC000054966879 521503821 /nfs/dbraw/zinc/50/38/21/521503821.db2.gz LEPNFKVTHBBOFD-UHFFFAOYSA-N 0 0 264.325 3.561 10 0 CHAERN CCOc1ccccc1[C@H](O)c1ccc(F)c(Cl)c1 ZINC000062791780 521590621 /nfs/dbraw/zinc/59/06/21/521590621.db2.gz XKKROJBMXPACPN-OAHLLOKOSA-N 0 0 280.726 3.960 10 0 CHAERN CCc1cccc(Oc2nc(Cl)nc(Cl)n2)c1 ZINC000061517727 521781198 /nfs/dbraw/zinc/78/11/98/521781198.db2.gz KSQAHKXZYIZYMJ-UHFFFAOYSA-N 0 0 270.119 3.533 10 0 CHAERN CCc1cccc(Oc2c(F)cc(CO)cc2F)c1 ZINC000062722515 521783003 /nfs/dbraw/zinc/78/30/03/521783003.db2.gz CNFGFMQJGISYRD-UHFFFAOYSA-N 0 0 264.271 3.812 10 0 CHAERN CCc1ccccc1CSCc1nnc(C2CC2)n1C ZINC000187510613 521844876 /nfs/dbraw/zinc/84/48/76/521844876.db2.gz OLQLTAXQCKNVEI-UHFFFAOYSA-N 0 0 287.432 3.688 10 0 CHAERN CCc1ccccc1CSCc1nnc(C)n1CC ZINC000187511450 521845609 /nfs/dbraw/zinc/84/56/09/521845609.db2.gz DLMIJEULROWTOB-UHFFFAOYSA-N 0 0 275.421 3.602 10 0 CHAERN CCc1ccccc1[C@@H](CO)Nc1cccc(C)c1 ZINC000052204977 521933293 /nfs/dbraw/zinc/93/32/93/521933293.db2.gz DUAAXMGVTHOKCY-QGZVFWFLSA-N 0 0 255.361 3.703 10 0 CHAERN CCc1nc2cc(N[C@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc2o1 ZINC000085635982 522494551 /nfs/dbraw/zinc/49/45/51/522494551.db2.gz RGLDTSHBOFFYHX-UVBJJODRSA-N 0 0 286.375 3.616 10 0 CHAERN CC[C@H](NC(=O)c1sccc1Br)C(C)C ZINC000057414194 522555051 /nfs/dbraw/zinc/55/50/51/522555051.db2.gz RUMCEAIPFUOSHP-VIFPVBQESA-N 0 0 290.226 3.675 10 0 CHAERN CC[C@@H](Cc1ccc(OC)c(Br)c1)C(C)=O ZINC000049596747 522626806 /nfs/dbraw/zinc/62/68/06/522626806.db2.gz LDSLQJZXOKHFHR-NSHDSACASA-N 0 0 285.181 3.615 10 0 CHAERN COc1cc(N)ccc1Oc1ncc(Cl)cc1Cl ZINC000050505815 522627919 /nfs/dbraw/zinc/62/79/19/522627919.db2.gz QQLFUQLXQYTPIF-UHFFFAOYSA-N 0 0 285.130 3.772 10 0 CHAERN CNc1nc(-c2sccc2C)nc(C)c1C(C)C ZINC000061687507 522676722 /nfs/dbraw/zinc/67/67/22/522676722.db2.gz YVOPINVHYQBUCB-UHFFFAOYSA-N 0 0 261.394 3.987 10 0 CHAERN CC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(C)C ZINC000049091717 522678445 /nfs/dbraw/zinc/67/84/45/522678445.db2.gz OKEJSBZONGRNGG-OAHLLOKOSA-N 0 0 272.392 3.651 10 0 CHAERN CNc1nc2c(cc(Cl)c(Br)c2Cl)o1 ZINC000062561157 522687707 /nfs/dbraw/zinc/68/77/07/522687707.db2.gz VTOOSUKPFQKPBA-UHFFFAOYSA-N 0 0 295.951 3.939 10 0 CHAERN CC[C@H]([NH2+][C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000049356984 522730630 /nfs/dbraw/zinc/73/06/30/522730630.db2.gz RWBUTZPYSILTJZ-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN COCCC1(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000151704113 523057613 /nfs/dbraw/zinc/05/76/13/523057613.db2.gz OYTVKWRVJLKTIJ-HOTGVXAUSA-N 0 0 293.451 3.526 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Nc1c(N)ccc(F)c1F ZINC000053166291 523201609 /nfs/dbraw/zinc/20/16/09/523201609.db2.gz CUKIMBVYDXKSTO-SKDRFNHKSA-N 0 0 254.324 3.928 10 0 CHAERN CC[C@@H]1CCCN(c2nnc(Cl)c3ccccc32)C1 ZINC000050529497 523255784 /nfs/dbraw/zinc/25/57/84/523255784.db2.gz HWVXGXVKYXLAIT-LLVKDONJSA-N 0 0 275.783 3.910 10 0 CHAERN COCCCN1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111308418 523304382 /nfs/dbraw/zinc/30/43/82/523304382.db2.gz BZFZNYQFWAVZDH-OAHLLOKOSA-N 0 0 297.826 3.528 10 0 CHAERN COc1ccc(C)cc1C(=O)c1ccc(F)c(C)c1 ZINC000055262603 523802969 /nfs/dbraw/zinc/80/29/69/523802969.db2.gz JKFXROUFLWJUNQ-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN COc1ccc(C)cc1COc1ccc(Cl)cc1N ZINC000050701975 523813986 /nfs/dbraw/zinc/81/39/86/523813986.db2.gz JITYBFSOFWWEHJ-UHFFFAOYSA-N 0 0 277.751 3.818 10 0 CHAERN CCc1cc(OCc2ccc(NC)nc2)ccc1Cl ZINC000050832984 523840649 /nfs/dbraw/zinc/84/06/49/523840649.db2.gz VCRALKIXILCUTC-UHFFFAOYSA-N 0 0 276.767 3.918 10 0 CHAERN CCc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000067119723 524009356 /nfs/dbraw/zinc/00/93/56/524009356.db2.gz KGUYHAZUSRVPMO-UHFFFAOYSA-N 0 0 279.137 3.594 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)CSC)o1 ZINC000128268654 524053310 /nfs/dbraw/zinc/05/33/10/524053310.db2.gz AIHYCGHVERUZGV-GXTWGEPZSA-N 0 0 295.448 3.895 10 0 CHAERN COc1cccc([C@H](O)c2ccc(F)c(Cl)c2)c1 ZINC000062791953 524166789 /nfs/dbraw/zinc/16/67/89/524166789.db2.gz GTKDPMWZTGGVQD-AWEZNQCLSA-N 0 0 266.699 3.569 10 0 CHAERN Cc1ccc(C)c([C@@](C)(O)c2ccc(F)c(F)c2)c1 ZINC000055236859 524208604 /nfs/dbraw/zinc/20/86/04/524208604.db2.gz QPOIOQRPEFLJJX-INIZCTEOSA-N 0 0 262.299 3.837 10 0 CHAERN Cc1cc(C)cc(-n2nc(C(F)F)c(C=O)c2Cl)c1 ZINC000061628962 524358384 /nfs/dbraw/zinc/35/83/84/524358384.db2.gz LLKONNMGAUJUME-UHFFFAOYSA-N 0 0 284.693 3.893 10 0 CHAERN Cc1cc(C)cc(N[C@H](C)C(=O)N2CCCCCC2)c1 ZINC000058382103 524437921 /nfs/dbraw/zinc/43/79/21/524437921.db2.gz NVQLRWHOVRAEQW-OAHLLOKOSA-N 0 0 274.408 3.506 10 0 CHAERN Cc1cccc(N[C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000157773751 524695102 /nfs/dbraw/zinc/69/51/02/524695102.db2.gz CXLPCRAIAOTYJY-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN COc1ccc(N[C@@H](C)c2scnc2C)cc1C ZINC000049528621 524702398 /nfs/dbraw/zinc/70/23/98/524702398.db2.gz DBRFLFIXTFWOMJ-NSHDSACASA-N 0 0 262.378 3.942 10 0 CHAERN Cc1ccc(Cn2ccc3c2CC(C)(C)C[C@@H]3O)s1 ZINC000050225820 524772243 /nfs/dbraw/zinc/77/22/43/524772243.db2.gz YWKHMRTXOXCXOM-HNNXBMFYSA-N 0 0 275.417 3.912 10 0 CHAERN Cc1ccc(F)c(-c2nc(-c3cccs3)n[nH]2)c1 ZINC000054700085 524780216 /nfs/dbraw/zinc/78/02/16/524780216.db2.gz YKHBLVBSRSWQIN-UHFFFAOYSA-N 0 0 259.309 3.648 10 0 CHAERN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2)CCO1 ZINC000070343842 524814299 /nfs/dbraw/zinc/81/42/99/524814299.db2.gz DXSZYZRZMSKSCV-CABZTGNLSA-N 0 0 259.271 3.685 10 0 CHAERN C[C@@H](NC(=O)CC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000055745067 525075724 /nfs/dbraw/zinc/07/57/24/525075724.db2.gz XZZRRYOFAJXQKR-ZCFIWIBFSA-N 0 0 283.652 3.609 10 0 CHAERN NC(=O)[C@@H]1CCC[C@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329762589 534835621 /nfs/dbraw/zinc/83/56/21/534835621.db2.gz SVNIQDMQTZNHIO-OLZOCXBDSA-N 0 0 289.379 3.922 10 0 CHAERN C[C@](O)(c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000055238100 525187818 /nfs/dbraw/zinc/18/78/18/525187818.db2.gz YOUMHMOHVYCQDH-AWEZNQCLSA-N 0 0 268.690 3.874 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117560889 525209834 /nfs/dbraw/zinc/20/98/34/525209834.db2.gz BIYCIXQWLXOALT-CXAGYDPISA-N 0 0 281.355 3.807 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2)CCO1 ZINC000070343839 525448328 /nfs/dbraw/zinc/44/83/28/525448328.db2.gz DXSZYZRZMSKSCV-BXKDBHETSA-N 0 0 259.271 3.685 10 0 CHAERN Cc1cc2c(N[C@H]3CCC[C@H](C(F)(F)F)C3)nccn2n1 ZINC000274685018 525587308 /nfs/dbraw/zinc/58/73/08/525587308.db2.gz OSAQHYHYYWMXIK-QWRGUYRKSA-N 0 0 298.312 3.571 10 0 CHAERN C[C@H](Nc1ccc(C(N)=S)cc1Cl)c1ccncc1 ZINC000062795274 525648180 /nfs/dbraw/zinc/64/81/80/525648180.db2.gz LQXNTHLLQQGLJR-VIFPVBQESA-N 0 0 291.807 3.542 10 0 CHAERN COc1cccc(-c2nc3ccc(N)cc3s2)c1 ZINC000062537848 525728297 /nfs/dbraw/zinc/72/82/97/525728297.db2.gz SKYDDSGHMBKZFA-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN Cc1ccc([C@@H](C)Nc2c(F)c(F)nc(F)c2F)o1 ZINC000094628120 525750235 /nfs/dbraw/zinc/75/02/35/525750235.db2.gz MGGWZCIHBIQMAB-ZCFIWIBFSA-N 0 0 274.217 3.713 10 0 CHAERN C[C@@](O)(c1ccc(Br)cc1)c1ccccc1F ZINC000052887858 525782126 /nfs/dbraw/zinc/78/21/26/525782126.db2.gz FUULKFKVAIWCRT-CQSZACIVSA-N 0 0 295.151 3.844 10 0 CHAERN CS[C@@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128795473 525791634 /nfs/dbraw/zinc/79/16/34/525791634.db2.gz ZRKLRXZVBOWSHC-WCQYABFASA-N 0 0 293.432 3.547 10 0 CHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H](C)O2)o1 ZINC000155871072 525794030 /nfs/dbraw/zinc/79/40/30/525794030.db2.gz MVQSKSGLAMYVRU-OFQRWUPVSA-N 0 0 291.391 3.599 10 0 CHAERN Cc1c(N)cccc1OCc1c(F)cccc1Cl ZINC000049345092 525822318 /nfs/dbraw/zinc/82/23/18/525822318.db2.gz OIQHJKZXORBXPS-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN C[C@H](O)Cc1ccc(-c2cc(Cl)ccc2F)o1 ZINC000062771381 525830898 /nfs/dbraw/zinc/83/08/98/525830898.db2.gz MUJZQDBACURYIQ-QMMMGPOBSA-N 0 0 254.688 3.662 10 0 CHAERN Cc1ccsc1[C@@H](C)Nc1cccc(Cn2cncn2)c1 ZINC000070091751 525870717 /nfs/dbraw/zinc/87/07/17/525870717.db2.gz DXISFNUHHUENJO-CYBMUJFWSA-N 0 0 298.415 3.869 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2)o1 ZINC000112042447 525904738 /nfs/dbraw/zinc/90/47/38/525904738.db2.gz BMYYNPZZKPEVAP-JSGCOSHPSA-N 0 0 271.360 3.644 10 0 CHAERN C[C@H](c1cccc(Cl)c1)N(C)c1ccnc(Cl)n1 ZINC000062028747 526075640 /nfs/dbraw/zinc/07/56/40/526075640.db2.gz AGHNCEQJWYSAGO-SECBINFHSA-N 0 0 282.174 3.981 10 0 CHAERN C[C@H](c1cccs1)N(C)Cc1nc(N)ccc1Cl ZINC000061638446 526152620 /nfs/dbraw/zinc/15/26/20/526152620.db2.gz YRQJMDYJCRTKJL-SECBINFHSA-N 0 0 281.812 3.572 10 0 CHAERN CSc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117566109 526175458 /nfs/dbraw/zinc/17/54/58/526175458.db2.gz WJXOTAFRBTYYEI-BZNIZROVSA-N 0 0 299.395 3.912 10 0 CHAERN Cc1ccc2c(c1)nc(-c1csc(N)n1)n2C(C)C ZINC000055176761 526218705 /nfs/dbraw/zinc/21/87/05/526218705.db2.gz PDCHNOLUBRVIFB-UHFFFAOYSA-N 0 0 272.377 3.631 10 0 CHAERN O[C@H](Cc1ccccn1)Cc1c(Cl)cccc1Cl ZINC000053784029 526297673 /nfs/dbraw/zinc/29/76/73/526297673.db2.gz XEGJJHOQOYLBBF-LLVKDONJSA-N 0 0 282.170 3.535 10 0 CHAERN O[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000055200958 526299609 /nfs/dbraw/zinc/29/96/09/526299609.db2.gz LAAUDANNSIVWRV-CYBMUJFWSA-N 0 0 270.225 3.926 10 0 CHAERN Fc1cc(Cl)ccc1CN[C@H]1COc2ccccc21 ZINC000157436839 526301754 /nfs/dbraw/zinc/30/17/54/526301754.db2.gz IPTILOPDEFFZFM-AWEZNQCLSA-N 0 0 277.726 3.702 10 0 CHAERN Fc1cc(NCCc2cccnc2)ccc1Cl ZINC000063222362 526309145 /nfs/dbraw/zinc/30/91/45/526309145.db2.gz CHIFDSVQBNEMSX-UHFFFAOYSA-N 0 0 250.704 3.529 10 0 CHAERN O[C@H]1c2ccccc2CC[C@@H]1OCC1CCCCC1 ZINC000052156162 526316876 /nfs/dbraw/zinc/31/68/76/526316876.db2.gz WJAVRRCEXSZMCM-IRXDYDNUSA-N 0 0 260.377 3.632 10 0 CHAERN Cc1nnc([C@@H](C)Nc2ncc(Cl)cc2Cl)s1 ZINC000286084172 526396956 /nfs/dbraw/zinc/39/69/56/526396956.db2.gz AAGVCRODUMMEFI-RXMQYKEDSA-N 0 0 289.191 3.721 10 0 CHAERN c1cc(N[C@H]2CCCSC2)cc(N2CCCC2)c1 ZINC000061588478 526434239 /nfs/dbraw/zinc/43/42/39/526434239.db2.gz AHEKLVMBEVMEMO-AWEZNQCLSA-N 0 0 262.422 3.594 10 0 CHAERN c1cc2c(ccnc2N[C@@H]2CCc3ccccc32)o1 ZINC000156736091 526443050 /nfs/dbraw/zinc/44/30/50/526443050.db2.gz FORWNNCNLIKEPY-CQSZACIVSA-N 0 0 250.301 3.927 10 0 CHAERN Cc1nsc(N[C@H]2CC(C)(C)Oc3ccccc32)n1 ZINC000268362115 526715929 /nfs/dbraw/zinc/71/59/29/526715929.db2.gz CTPZYWMMOCVWNJ-NSHDSACASA-N 0 0 275.377 3.561 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccc(N)cc2C)s1 ZINC000049533724 526747696 /nfs/dbraw/zinc/74/76/96/526747696.db2.gz WZBVKFRCWQFGFB-SNVBAGLBSA-N 0 0 261.394 3.824 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2ccc(F)cc2N)s1 ZINC000049533708 526756404 /nfs/dbraw/zinc/75/64/04/526756404.db2.gz SDTAVQHYWBFKMI-QMMMGPOBSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(CNc2ccccc2SC(F)(F)F)c[nH]1 ZINC000054821702 526900662 /nfs/dbraw/zinc/90/06/62/526900662.db2.gz MXKAUTYUMGRSNS-UHFFFAOYSA-N 0 0 287.310 3.942 10 0 CHAERN Clc1cc(Br)c(Cl)c2ocnc21 ZINC000062540409 526925184 /nfs/dbraw/zinc/92/51/84/526925184.db2.gz CQIOLGQYVIHTKL-UHFFFAOYSA-N 0 0 266.909 3.897 10 0 CHAERN Cc1nc(Cc2ccc(C)c(C)c2)sc1[C@H](C)O ZINC000061681821 526927980 /nfs/dbraw/zinc/92/79/80/526927980.db2.gz VBNXQGWHHLOLKW-LBPRGKRZSA-N 0 0 261.390 3.712 10 0 CHAERN Cc1nc(Cc2ccc(Cl)c(Cl)c2)nc(N)c1C ZINC000050847431 526927998 /nfs/dbraw/zinc/92/79/98/526927998.db2.gz NZNIYBZFVWVKCH-UHFFFAOYSA-N 0 0 282.174 3.573 10 0 CHAERN Cc1nc(Cl)cc(Oc2cccc3cccnc32)n1 ZINC000052835191 526936238 /nfs/dbraw/zinc/93/62/38/526936238.db2.gz HWMPANVYVFBMRB-UHFFFAOYSA-N 0 0 271.707 3.779 10 0 CHAERN Clc1ccc(-c2noc(NCc3ccco3)n2)cc1 ZINC000057354156 526937466 /nfs/dbraw/zinc/93/74/66/526937466.db2.gz JKJUDZYYSMGEBD-UHFFFAOYSA-N 0 0 275.695 3.595 10 0 CHAERN NC(=S)c1c(Cl)cccc1Nc1ccccc1F ZINC000052904082 527113270 /nfs/dbraw/zinc/11/32/70/527113270.db2.gz ATVHOWSWVDSOPR-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN NC(=S)c1cc(Cl)ccc1NCc1cccs1 ZINC000052858075 527115387 /nfs/dbraw/zinc/11/53/87/527115387.db2.gz DOLTVHPDEVYGLO-UHFFFAOYSA-N 0 0 282.821 3.648 10 0 CHAERN O=Cc1c(Cl)n(-c2ccccc2Cl)nc1C(F)F ZINC000061628958 527144230 /nfs/dbraw/zinc/14/42/30/527144230.db2.gz BBGIPVJSRCGDJB-UHFFFAOYSA-N 0 0 291.084 3.929 10 0 CHAERN O=C(Cc1cccs1)Cc1ccccc1Br ZINC000052900091 527300057 /nfs/dbraw/zinc/30/00/57/527300057.db2.gz IMCNPTBAJRLALC-UHFFFAOYSA-N 0 0 295.201 3.865 10 0 CHAERN O=[N+]([O-])/C(=C/c1c(F)cccc1F)c1ccccc1 ZINC000054684800 527318599 /nfs/dbraw/zinc/31/85/99/527318599.db2.gz OCCQTBMTYGWWFK-NTEUORMPSA-N 0 0 261.227 3.740 10 0 CHAERN Cc1nccn1CCNc1ccc(Cl)c(Cl)c1 ZINC000049329836 527432854 /nfs/dbraw/zinc/43/28/54/527432854.db2.gz AWABNMCBFROLPS-UHFFFAOYSA-N 0 0 270.163 3.610 10 0 CHAERN Nc1cc(-c2nc(Cc3cccs3)no2)ccc1Cl ZINC000052899631 527439943 /nfs/dbraw/zinc/43/99/43/527439943.db2.gz GMNHDZAOVCOMKS-UHFFFAOYSA-N 0 0 291.763 3.625 10 0 CHAERN Nc1ccc(F)c(F)c1N[C@H]1C[C@H]1c1ccccc1 ZINC000053167289 527488253 /nfs/dbraw/zinc/48/82/53/527488253.db2.gz BVAHXROQHSUSHD-GWCFXTLKSA-N 0 0 260.287 3.515 10 0 CHAERN Cc1ncsc1CCOc1c(C)cc(C=O)cc1C ZINC000050285147 527492420 /nfs/dbraw/zinc/49/24/20/527492420.db2.gz DHQUKENRGRIMOW-UHFFFAOYSA-N 0 0 275.373 3.502 10 0 CHAERN OC1CCC(Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000082059596 527514326 /nfs/dbraw/zinc/51/43/26/527514326.db2.gz PGNSUNBMBGROBO-UHFFFAOYSA-N 0 0 260.164 3.709 10 0 CHAERN Nc1ccccc1NCc1ccccc1C(F)(F)F ZINC000061626160 527529668 /nfs/dbraw/zinc/52/96/68/527529668.db2.gz VDQGNJVSEMHHHF-UHFFFAOYSA-N 0 0 266.266 3.900 10 0 CHAERN Nc1nc(-c2cccc(Cl)c2Cl)nc2c1CCCC2 ZINC000050867131 527540050 /nfs/dbraw/zinc/54/00/50/527540050.db2.gz RXIHQRYOJMOSPZ-UHFFFAOYSA-N 0 0 294.185 3.911 10 0 CHAERN O[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000055200961 527666149 /nfs/dbraw/zinc/66/61/49/527666149.db2.gz LAAUDANNSIVWRV-ZDUSSCGKSA-N 0 0 270.225 3.926 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(NCc2cncnc2)c1 ZINC000054766849 527682780 /nfs/dbraw/zinc/68/27/80/527682780.db2.gz QIGCIWQMMCVXPS-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(Cl)ccc1C ZINC000087406348 527697115 /nfs/dbraw/zinc/69/71/15/527697115.db2.gz OVARNAPAEKRUCF-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(N(C)C)c(Cl)c1 ZINC000087409106 527697176 /nfs/dbraw/zinc/69/71/76/527697176.db2.gz SJPNMBPWNLQAAP-SNVBAGLBSA-N 0 0 292.814 3.621 10 0 CHAERN CCC[C@@H]1C[C@H]1Nc1cc(CC)nc(-c2ccncc2)n1 ZINC000301418556 527867533 /nfs/dbraw/zinc/86/75/33/527867533.db2.gz DBNKEFCTRABAIL-UKRRQHHQSA-N 0 0 282.391 3.702 10 0 CHAERN CC1(C)CCC(c2noc([C@H]3CCCC(=O)N3)n2)CC1 ZINC000329590166 528909586 /nfs/dbraw/zinc/90/95/86/528909586.db2.gz NMLWCUKLUGTTCQ-LLVKDONJSA-N 0 0 277.368 3.935 10 0 CHAERN CN1CCN(c2ccc(Cl)cc2N)c2ccccc21 ZINC000104270432 536421487 /nfs/dbraw/zinc/42/14/87/536421487.db2.gz RFTQLIVRHIDMLH-UHFFFAOYSA-N 0 0 273.767 3.510 10 0 CHAERN Cc1c(Br)c(-c2ccncc2)nn1C(C)C ZINC000409443763 570245399 /nfs/dbraw/zinc/24/53/99/570245399.db2.gz TXZAJYAEJCMBCS-UHFFFAOYSA-N 0 0 280.169 3.597 10 0 CHAERN Nc1cc(Br)ccc1NC1CCCCC1 ZINC000034939541 570227573 /nfs/dbraw/zinc/22/75/73/570227573.db2.gz SYZXRTMAUZQKSX-UHFFFAOYSA-N 0 0 269.186 3.776 10 0 CHAERN CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002035961 560186027 /nfs/dbraw/zinc/18/60/27/560186027.db2.gz SLZWBCGZQRRUNG-UHFFFAOYSA-N 0 0 263.381 4.000 10 0 in-vitro CHAERN Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl ZINC000005784763 560203165 /nfs/dbraw/zinc/20/31/65/560203165.db2.gz IVVWBIJMWBNKFV-UHFFFAOYSA-N 0 0 269.131 3.950 10 0 in-vitro CHAERN Cc1cc(C)c2cc(F)c(Br)cc2n1 ZINC000669372213 566949372 /nfs/dbraw/zinc/94/93/72/566949372.db2.gz IEEJYRKDIYFZGT-UHFFFAOYSA-N 0 0 254.102 3.753 10 0 CHAERN Cc1ccc(-c2cc(CN(C)C(=O)C(C)C)no2)c(C)c1 ZINC000036012394 566990949 /nfs/dbraw/zinc/99/09/49/566990949.db2.gz KZPLQUJECAALFA-UHFFFAOYSA-N 0 0 286.375 3.573 10 0 CHAERN CCCNC(=O)c1cncc(-c2ccccc2Cl)c1 ZINC000036346901 566997199 /nfs/dbraw/zinc/99/71/99/566997199.db2.gz KSCSLUMYMXLJTC-UHFFFAOYSA-N 0 0 274.751 3.542 10 0 CHAERN Cc1ccc(Br)c(NCC(F)(F)F)c1 ZINC000134862268 567040950 /nfs/dbraw/zinc/04/09/50/567040950.db2.gz SVJVAQXBMUTYKN-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN COC(=O)/C=C/c1ccc(-c2ccsc2)s1 ZINC000048545141 567090940 /nfs/dbraw/zinc/09/09/40/567090940.db2.gz OXIDAJVNERRXCP-HWKANZROSA-N 0 0 250.344 3.663 10 0 CHAERN COc1ccc2c(c1)oc1cc(Cl)ccc1c2=O ZINC000048533653 567091074 /nfs/dbraw/zinc/09/10/74/567091074.db2.gz BFLHILWUMYGECZ-UHFFFAOYSA-N 0 0 260.676 3.608 10 0 CHAERN COC(OC)[C@H](C)Sc1ccc(Br)cc1 ZINC000616573458 567213168 /nfs/dbraw/zinc/21/31/68/567213168.db2.gz RVIUDOGACNJUHG-QMMMGPOBSA-N 0 0 291.210 3.549 10 0 CHAERN O[C@@H](CCSc1ccccc1)c1cccs1 ZINC000058826572 567217795 /nfs/dbraw/zinc/21/77/95/567217795.db2.gz AGUOBGVIKQWMFE-LBPRGKRZSA-N 0 0 250.388 3.964 10 0 CHAERN O=C1[C@@H]2[C@@H](C[C@@H]2c2ccccc2)CCN1Cc1ccccc1 ZINC000725262660 567220477 /nfs/dbraw/zinc/22/04/77/567220477.db2.gz RRHKPGXNYQKHRK-GUDVDZBRSA-N 0 0 291.394 3.839 10 0 CHAERN CC(C)OC(=O)c1ccc(-c2cccc(C=O)c2)cc1 ZINC000002528981 567847728 /nfs/dbraw/zinc/84/77/28/567847728.db2.gz LFVMGXBSYOBJSG-UHFFFAOYSA-N 0 0 268.312 3.731 10 0 CHAERN O[C@]1(c2ccccc2)CC[C@H]2[C@H]1CC[C@@]2(O)c1ccccc1 ZINC000004321566 567856648 /nfs/dbraw/zinc/85/66/48/567856648.db2.gz BGPALYKOUQFTBY-JVSBHGNQSA-N 0 0 294.394 3.582 10 0 CHAERN C[C@@H]1C[C@@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCc3cc(O)ccc3[C@H]12 ZINC000004369816 567857029 /nfs/dbraw/zinc/85/70/29/567857029.db2.gz DMSFWIJHZMGIJI-YDJPGRQJSA-N 0 0 286.415 3.855 10 0 CHAERN Cc1cc(Br)ccc1N[C@H]1CCSC1 ZINC000019905571 567879799 /nfs/dbraw/zinc/87/97/99/567879799.db2.gz GPLIJWMRBHTFJO-JTQLQIEISA-N 0 0 272.211 3.675 10 0 CHAERN COc1ccc2c(c1)SC[C@@H](c1ccccc1)C2=O ZINC000048523162 567881352 /nfs/dbraw/zinc/88/13/52/567881352.db2.gz NHMPMDZMJAFCDG-AWEZNQCLSA-N 0 0 270.353 3.767 10 0 CHAERN CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=O ZINC000034770573 567888604 /nfs/dbraw/zinc/88/86/04/567888604.db2.gz IAILTMQZTBPZMQ-UHFFFAOYSA-N 0 0 262.740 3.521 10 0 CHAERN CC(=O)Nc1nc(CSCC[Si](C)(C)C)cs1 ZINC000725245857 567908304 /nfs/dbraw/zinc/90/83/04/567908304.db2.gz MXMOQVVSCBIZOW-UHFFFAOYSA-N 0 0 288.514 3.673 10 0 CHAERN Cc1cc2nc(C(C)C)nn2c(Cl)c1C(C)C ZINC000725246737 567908426 /nfs/dbraw/zinc/90/84/26/567908426.db2.gz UZWCLMDPIQAVND-UHFFFAOYSA-N 0 0 251.761 3.938 10 0 CHAERN C[Si](C)(C)CCSCc1nnsc1Cl ZINC000725246600 567908432 /nfs/dbraw/zinc/90/84/32/567908432.db2.gz YTGDUSZPMRUJBT-UHFFFAOYSA-N 0 0 266.895 3.763 10 0 CHAERN Cc1cc2nc(CC(F)(F)F)nn2c(Cl)c1C(C)C ZINC000725246524 567908487 /nfs/dbraw/zinc/90/84/87/567908487.db2.gz OTADJJFOVZGXGU-UHFFFAOYSA-N 0 0 291.704 3.919 10 0 CHAERN CC[C@H](C)c1nc2cc(C3CC3)cc(Br)n2n1 ZINC000725247885 567908543 /nfs/dbraw/zinc/90/85/43/567908543.db2.gz CAMTVMJKLVBABP-QMMMGPOBSA-N 0 0 294.196 3.883 10 0 CHAERN COC(=O)c1ccc(SCc2ccccc2)s1 ZINC000095218367 567909070 /nfs/dbraw/zinc/90/90/70/567909070.db2.gz SWNLXZYFEGPGEN-UHFFFAOYSA-N 0 0 264.371 3.827 10 0 CHAERN CC(C)OCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725255627 567915230 /nfs/dbraw/zinc/91/52/30/567915230.db2.gz GKGIWLWPBCABEG-UHFFFAOYSA-N 0 0 253.651 3.679 10 0 CHAERN CCC(C)(C)[C@H]1CCC(=O)N[C@H](C(F)(F)F)CC1 ZINC000725256019 567915233 /nfs/dbraw/zinc/91/52/33/567915233.db2.gz OUJPARISMVELPS-ZJUUUORDSA-N 0 0 265.319 3.660 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)c2c(CO)cc(Cl)nc21 ZINC000725259080 567917047 /nfs/dbraw/zinc/91/70/47/567917047.db2.gz CFPRZWRDJYNMOP-GXSJLCMTSA-N 0 0 253.773 3.864 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1[C@H](C)CC[C@@H]2C ZINC000725259949 567917169 /nfs/dbraw/zinc/91/71/69/567917169.db2.gz KWAAMFOZMRQEHQ-SFYZADRCSA-N 0 0 253.729 3.522 10 0 CHAERN CC(C)(Cl)c1cn(-c2cc(F)cc(Cl)c2)nn1 ZINC000725263854 567922939 /nfs/dbraw/zinc/92/29/39/567922939.db2.gz RFOYVSOGBFLJQC-UHFFFAOYSA-N 0 0 274.126 3.534 10 0 CHAERN C[C@H]1CCCN(c2cc(N)ccc2C(F)(F)F)C1 ZINC000725263603 567923045 /nfs/dbraw/zinc/92/30/45/567923045.db2.gz UOVQDPOWYWRBJG-VIFPVBQESA-N 0 0 258.287 3.524 10 0 CHAERN CCC(C)(C)c1nc2c(Cl)cccc2cc1NN ZINC000725267928 567924151 /nfs/dbraw/zinc/92/41/51/567924151.db2.gz CFNZQQWPEKCRGU-UHFFFAOYSA-N 0 0 263.772 3.861 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2cccc(N)c2)n1 ZINC000725270390 567924768 /nfs/dbraw/zinc/92/47/68/567924768.db2.gz LNQFZGKXTNCBMG-UHFFFAOYSA-N 0 0 251.280 3.651 10 0 CHAERN C[C@@H]1CCc2nc(-c3ccc(Cl)s3)cn2C1 ZINC000258249369 567931049 /nfs/dbraw/zinc/93/10/49/567931049.db2.gz HOPLRZVJWLSPCZ-MRVPVSSYSA-N 0 0 252.770 3.847 10 0 CHAERN Cc1nc(C)c(-c2cc(Cl)nc(C3CC3)n2)s1 ZINC000409432832 570245050 /nfs/dbraw/zinc/24/50/50/570245050.db2.gz YDNKAQRMTIPDRV-UHFFFAOYSA-N 0 0 265.769 3.748 10 0 CHAERN Nc1cnc2c(Oc3ccccc3)ccc(Cl)c2c1N ZINC000584882801 570229417 /nfs/dbraw/zinc/22/94/17/570229417.db2.gz SMOAUIJSHOJADM-UHFFFAOYSA-N 0 0 285.734 3.675 10 0 CHAERN Fc1cc(N[C@@H]2CCSC2)ccc1Br ZINC000083826335 570252722 /nfs/dbraw/zinc/25/27/22/570252722.db2.gz HBJFCIJBRPKBKJ-MRVPVSSYSA-N 0 0 276.174 3.506 10 0 CHAERN Cc1nn(C(C)C)cc1NCc1ccc(F)cc1F ZINC000725242613 570254655 /nfs/dbraw/zinc/25/46/55/570254655.db2.gz MKUBSRIXKGRGCB-UHFFFAOYSA-N 0 0 265.307 3.663 10 0 CHAERN CCCC[C@H](C)c1nc2cc(CCC)cc(O)n2n1 ZINC000725243062 570255052 /nfs/dbraw/zinc/25/50/52/570255052.db2.gz HZNDAOULRCMZOG-NSHDSACASA-N 0 0 261.369 3.681 10 0 CHAERN CC(C)c1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243242 570255231 /nfs/dbraw/zinc/25/52/31/570255231.db2.gz ROOFEFPMZZTLBK-UHFFFAOYSA-N 0 0 251.761 3.804 10 0 CHAERN CCc1cc2nc(C[C@H](C)CC)nn2c(Br)c1 ZINC000725248386 570256064 /nfs/dbraw/zinc/25/60/64/570256064.db2.gz SWLPSYVASQJDCH-SECBINFHSA-N 0 0 296.212 3.643 10 0 CHAERN Fc1cc2nccc(Cl)c2cc1Br ZINC000146904235 570274241 /nfs/dbraw/zinc/27/42/41/570274241.db2.gz QIBVJFPEFQGSCW-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Cc1ccc(NC(=S)N[C@H]2C[C@H]3C=C[C@@H]2C3)c(C)c1 ZINC000215733331 570303649 /nfs/dbraw/zinc/30/36/49/570303649.db2.gz MPMPESDOZVTRHW-GUTXKFCHSA-N 0 0 272.417 3.554 10 0 CHAERN CC(C)(C)OC(=O)O[C@@H]1CCCC=C1C(=O)OC(C)(C)C ZINC000950757173 613999547 /nfs/dbraw/zinc/99/95/47/613999547.db2.gz DKHFFNFRWNNACH-GFCCVEGCSA-N 0 0 298.379 3.759 10 0 CHAERN CC[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1cccc(Cl)c1 ZINC000253279490 728638264 /nfs/dbraw/zinc/63/82/64/728638264.db2.gz SHGIXVNSEPBNEH-CQDKDKBSSA-N 0 0 295.810 3.722 10 0 CHAERN CC[C@H]1CCCC[C@@H]1C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000700882867 954878395 /nfs/dbraw/zinc/87/83/95/954878395.db2.gz OUKXPWAXHYRVNJ-UONOGXRCSA-N 0 0 269.429 3.636 10 0 CHAERN CC(C)(C)C[N@H+](CC/C=C\c1ccccc1)CC(=O)[O-] ZINC000700927090 954880016 /nfs/dbraw/zinc/88/00/16/954880016.db2.gz RBJYKJRFBDTKNK-XFFZJAGNSA-N 0 0 275.392 3.523 10 0 CHAERN C[C@H](CC1CCCCC1)[NH2+]Cc1ccsc1C(=O)[O-] ZINC000694661186 976708619 /nfs/dbraw/zinc/70/86/19/976708619.db2.gz VGSOIRWUIHHPEJ-LLVKDONJSA-N 0 0 281.421 3.895 10 0 CHAERN Cc1sccc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000701265849 977000884 /nfs/dbraw/zinc/00/08/84/977000884.db2.gz OATBWIFZPGVCFT-UHFFFAOYSA-N 0 0 289.400 3.533 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000701831778 977046613 /nfs/dbraw/zinc/04/66/13/977046613.db2.gz RUBFIFUYHUWGKI-CJNGLKHVSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000701831786 977047015 /nfs/dbraw/zinc/04/70/15/977047015.db2.gz RUBFIFUYHUWGKI-XJKSGUPXSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1sc(C(=O)[O-])cc1C[N@@H+](C)C1(C)CCCC1 ZINC000720344121 978028671 /nfs/dbraw/zinc/02/86/71/978028671.db2.gz BTIHQISDWMOFIT-UHFFFAOYSA-N 0 0 267.394 3.519 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2cnn(C(C)C)c2)cs1 ZINC000189921592 1126935923 /nfs/dbraw/zinc/93/59/23/1126935923.db2.gz NJPVUMXMUBTRGY-HNNXBMFYSA-N 0 0 290.436 3.566 10 0 CHAERN Cc1nc(CN2CCC[C@H]2c2csc(C)n2)cs1 ZINC000189782169 1126934889 /nfs/dbraw/zinc/93/48/89/1126934889.db2.gz ACMOOSVTHQNESH-ZDUSSCGKSA-N 0 0 279.434 3.554 10 0 CHAERN CC/C=C(/C)C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000588402497 1118548060 /nfs/dbraw/zinc/54/80/60/1118548060.db2.gz XWALVZLUPKIVQR-CHHVJCJISA-N 0 0 280.371 3.971 10 0 CHAERN CC[C@@H]1CCCC[C@H]1c1noc([C@@H]2CCCC(=O)N2)n1 ZINC000328876930 1118752194 /nfs/dbraw/zinc/75/21/94/1118752194.db2.gz KIMPRWUFKAFNOK-UTUOFQBUSA-N 0 0 277.368 3.935 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\SCc2ccco2)C[C@H](C)O1 ZINC000588448946 1118789063 /nfs/dbraw/zinc/78/90/63/1118789063.db2.gz BMBFOIDZTDRFIJ-YYLGTXDBSA-N 0 0 296.388 3.526 10 0 CHAERN Cc1cccc([C@@H](C)NC(=O)/C=C\c2ncccc2C)c1C ZINC000588453006 1118799004 /nfs/dbraw/zinc/79/90/04/1118799004.db2.gz KJOZFEDJFWMAJV-BLIJAFNYSA-N 0 0 294.398 3.897 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000588453778 1118799693 /nfs/dbraw/zinc/79/96/93/1118799693.db2.gz VSPGHHOTLDLSHB-HLRDLLSLSA-N 0 0 286.419 3.688 10 0 CHAERN COC(C)(C)CCOC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588562201 1119266358 /nfs/dbraw/zinc/26/63/58/1119266358.db2.gz YXLVMCPUEFBWHY-QXMHVHEDSA-N 0 0 280.339 3.587 10 0 CHAERN Cc1cc(COC(=O)CC/C=C\c2ccccc2)ns1 ZINC000588599985 1119529885 /nfs/dbraw/zinc/52/98/85/1119529885.db2.gz DVZCCGUJUXQCDA-UITAMQMPSA-N 0 0 287.384 3.988 10 0 CHAERN Clc1sccc1N[C@@H]1CCCc2n[nH]cc21 ZINC000375843325 1120016566 /nfs/dbraw/zinc/01/65/66/1120016566.db2.gz XZUNDJOSISSUQO-MRVPVSSYSA-N 0 0 253.758 3.614 10 0 CHAERN CC(C)OCCSCC(=O)Nc1ccc(C(C)C)cc1 ZINC000105638914 1120083685 /nfs/dbraw/zinc/08/36/85/1120083685.db2.gz WURWCDNPHILFTI-UHFFFAOYSA-N 0 0 295.448 3.907 10 0 CHAERN CC1(COC(=O)/C=C\c2ccc(Cl)cc2)CCOCC1 ZINC000588510462 1120094974 /nfs/dbraw/zinc/09/49/74/1120094974.db2.gz GHKKLTFAJVTIMU-DAXSKMNVSA-N 0 0 294.778 3.713 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NCc1cc(F)ccc1F ZINC000188947195 1120469848 /nfs/dbraw/zinc/46/98/48/1120469848.db2.gz MIXDOANYFAEHOA-INIZCTEOSA-N 0 0 289.325 3.887 10 0 CHAERN CCN(CC)C(=O)c1cc(C[C@H](C)c2ccccc2)no1 ZINC000299768587 1120647641 /nfs/dbraw/zinc/64/76/41/1120647641.db2.gz PHTGWRSNJOAHRZ-ZDUSSCGKSA-N 0 0 286.375 3.503 10 0 CHAERN Cc1cc(C)c(CSC2=NCCS2)c(C)c1 ZINC000000144976 1121108434 /nfs/dbraw/zinc/10/84/34/1121108434.db2.gz HIBLFQPBVSTCLI-UHFFFAOYSA-N 0 0 251.420 3.948 10 0 CHAERN Cc1nc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c(C)o1 ZINC000293647137 1121812902 /nfs/dbraw/zinc/81/29/02/1121812902.db2.gz UXHIKGZFNAXDCZ-ZUZCIYMTSA-N 0 0 284.359 3.660 10 0 CHAERN CCCCC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103845590 1122259174 /nfs/dbraw/zinc/25/91/74/1122259174.db2.gz KTSLOBKMGGEISV-UHFFFAOYSA-N 0 0 286.331 3.710 10 0 CHAERN CSc1ccc(C)c(C(=O)OCCc2cccnc2)c1 ZINC000105555795 1123056269 /nfs/dbraw/zinc/05/62/69/1123056269.db2.gz YWMOOSZNGFAHRJ-UHFFFAOYSA-N 0 0 287.384 3.511 10 0 CHAERN CC[C@@H](COC(=O)Cc1c(C)noc1C)c1ccccc1 ZINC000105775069 1123071142 /nfs/dbraw/zinc/07/11/42/1123071142.db2.gz UKMXNOMOTYNWRV-AWEZNQCLSA-N 0 0 287.359 3.571 10 0 CHAERN CC[C@H](COC(=O)CCCCOC)c1ccccc1 ZINC000105774610 1123071220 /nfs/dbraw/zinc/07/12/20/1123071220.db2.gz BSAQNACMDMLJEG-CQSZACIVSA-N 0 0 264.365 3.540 10 0 CHAERN CCC(=O)c1ccc(OC(=O)c2sccc2OC)cc1 ZINC000105940078 1123085899 /nfs/dbraw/zinc/08/58/99/1123085899.db2.gz WKUSWTGUYSSWDH-UHFFFAOYSA-N 0 0 290.340 3.569 10 0 CHAERN COc1ccsc1C(=O)Oc1ccc(SC)cc1 ZINC000105942215 1123087175 /nfs/dbraw/zinc/08/71/75/1123087175.db2.gz CRTVNSRXODFUFL-UHFFFAOYSA-N 0 0 280.370 3.698 10 0 CHAERN COc1ncc(C)cc1NC(=O)c1cccn1C1CCCC1 ZINC000182266267 1123172617 /nfs/dbraw/zinc/17/26/17/1123172617.db2.gz CSCNWXAZMYVIAU-UHFFFAOYSA-N 0 0 299.374 3.568 10 0 CHAERN CC1(C)C[C@@H]1c1noc([C@@H]2CC23CCSCC3)n1 ZINC000334541522 1123249205 /nfs/dbraw/zinc/24/92/05/1123249205.db2.gz DGJISUGCQVOVNB-ZJUUUORDSA-N 0 0 264.394 3.584 10 0 CHAERN CC1(C)CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000102919750 1123595488 /nfs/dbraw/zinc/59/54/88/1123595488.db2.gz YWEPPUROISMSCP-UHFFFAOYSA-N 0 0 285.309 3.649 10 0 CHAERN Oc1cccc2c1CCC[C@@H]2c1nc(CC2CCC2)no1 ZINC000329578342 1123625944 /nfs/dbraw/zinc/62/59/44/1123625944.db2.gz KMSSKTLGLNGSKO-AWEZNQCLSA-N 0 0 284.359 3.586 10 0 CHAERN C[C@H](NC(=O)C1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000101811435 1123924229 /nfs/dbraw/zinc/92/42/29/1123924229.db2.gz HIEONHPGVJIDJN-LBPRGKRZSA-N 0 0 289.375 3.563 10 0 CHAERN CN(C)c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000182489817 1125289635 /nfs/dbraw/zinc/28/96/35/1125289635.db2.gz FJZCGUAKGBEMHZ-ZACQAIPSSA-N 0 0 286.419 3.512 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCc1ccccc1 ZINC000190645309 1125318531 /nfs/dbraw/zinc/31/85/31/1125318531.db2.gz JBHAEXAMPIIWRN-KRWDZBQOSA-N 0 0 295.382 3.568 10 0 CHAERN Cc1cc(CN2CCC[C@H](c3cc(F)ccc3F)C2)no1 ZINC000191681162 1125326753 /nfs/dbraw/zinc/32/67/53/1125326753.db2.gz ZSPMRGALHBNEOW-LBPRGKRZSA-N 0 0 292.329 3.641 10 0 CHAERN C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccsc1 ZINC000102675778 1125327781 /nfs/dbraw/zinc/32/77/81/1125327781.db2.gz DHXAIWIQCBEPPP-LBPRGKRZSA-N 0 0 299.399 3.991 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@H]1CCCc2cccnc21 ZINC000192652162 1125334372 /nfs/dbraw/zinc/33/43/72/1125334372.db2.gz HNQUKMFKNZUNFY-HNNXBMFYSA-N 0 0 280.371 3.757 10 0 CHAERN CC(C)(C)OC(=O)Nc1nc(Cl)ccc1Cl ZINC000082162959 177925667 /nfs/dbraw/zinc/92/56/67/177925667.db2.gz PLYJEMRLEXWZLX-UHFFFAOYSA-N 0 0 263.124 3.735 10 0 CHAERN Clc1ccccc1-c1nnc(Br)s1 ZINC000082433772 178010349 /nfs/dbraw/zinc/01/03/49/178010349.db2.gz UGSDMSJROZFOAW-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN CC(C)(C)Oc1cncc(Br)c1OC1CC1 ZINC000095721939 185019595 /nfs/dbraw/zinc/01/95/95/185019595.db2.gz HUEZXIXRALANHA-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CC(C)(C)Oc1c(Br)nccc1OC1CC1 ZINC000095723850 185020737 /nfs/dbraw/zinc/02/07/37/185020737.db2.gz UIQFUNIZTXRTOE-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN Oc1c(Br)cccc1OC1CCCCC1 ZINC000095727701 185021520 /nfs/dbraw/zinc/02/15/20/185021520.db2.gz AVIJTJPXBFIEPR-UHFFFAOYSA-N 0 0 271.154 3.866 10 0 CHAERN CC(C)c1nccc(OC2CC2)c1Br ZINC000095726479 185021787 /nfs/dbraw/zinc/02/17/87/185021787.db2.gz PQVSNEOQRYXVRU-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CSc1ccc(OC2CC2)cc1Br ZINC000095733037 185022988 /nfs/dbraw/zinc/02/29/88/185022988.db2.gz LLNGLOULFGBZQK-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN FC(F)(F)c1cc(NC2CCCCC2)nc(Cl)n1 ZINC000082501766 178066088 /nfs/dbraw/zinc/06/60/88/178066088.db2.gz HCNBUPVIOPIDGF-UHFFFAOYSA-N 0 0 279.693 3.893 10 0 CHAERN FC(F)(F)c1cncc(Br)c1Cl ZINC000095763744 185026752 /nfs/dbraw/zinc/02/67/52/185026752.db2.gz JBFDXKQZGCKYKF-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN Cc1ccc(OC(=S)c2ccnc(Cl)c2)cc1 ZINC000095932841 185032602 /nfs/dbraw/zinc/03/26/02/185032602.db2.gz QRFILTWKSNZHIJ-UHFFFAOYSA-N 0 0 263.749 3.798 10 0 CHAERN Fc1ccc(-c2nc3cccnc3[nH]2)cc1Br ZINC000082586870 178124131 /nfs/dbraw/zinc/12/41/31/178124131.db2.gz OLYNILITCGJWGI-UHFFFAOYSA-N 0 0 292.111 3.527 10 0 CHAERN COC(=O)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC000095936221 185033961 /nfs/dbraw/zinc/03/39/61/185033961.db2.gz IBAYAWJGPZFRMW-UHFFFAOYSA-N 0 0 282.126 3.842 10 0 CHAERN CC(C)(C)c1cc2c(nccc2Br)[nH]1 ZINC000095936941 185034497 /nfs/dbraw/zinc/03/44/97/185034497.db2.gz YNCNIXDSSQCDCX-UHFFFAOYSA-N 0 0 253.143 3.623 10 0 CHAERN C[C@@H]1C[C@@H](c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C ZINC000095936327 185034564 /nfs/dbraw/zinc/03/45/64/185034564.db2.gz LSCFWKDIVOBNKW-OCCSQVGLSA-N 0 0 290.407 3.772 10 0 CHAERN Cc1csc(-c2ccc(C(F)(F)F)cc2N)n1 ZINC000096029004 185067592 /nfs/dbraw/zinc/06/75/92/185067592.db2.gz GKWBPZVVNIDFKO-UHFFFAOYSA-N 0 0 258.268 3.720 10 0 CHAERN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(N)c1 ZINC000082698821 178199142 /nfs/dbraw/zinc/19/91/42/178199142.db2.gz AIQJSNWXBRGNNN-UHFFFAOYSA-N 0 0 284.359 3.653 10 0 CHAERN Nc1ccc(F)cc1C(=O)Nc1c(Cl)cccc1Cl ZINC000082700018 178201917 /nfs/dbraw/zinc/20/19/17/178201917.db2.gz LYBAFHMPJZXJKP-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN CN(C)c1cccc(NC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000082712455 178225603 /nfs/dbraw/zinc/22/56/03/178225603.db2.gz MMUHOVYOXHOAOK-INIZCTEOSA-N 0 0 290.794 3.552 10 0 CHAERN Fc1ccc(Br)c2ccnc(Cl)c12 ZINC000082766617 178280437 /nfs/dbraw/zinc/28/04/37/178280437.db2.gz WWUXGJPQCBYYDG-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Fc1cc(Br)c2ccnc(Cl)c2c1 ZINC000082766619 178280861 /nfs/dbraw/zinc/28/08/61/178280861.db2.gz RQOCBFVSBYQBNR-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Fc1ccc2c(Cl)nccc2c1Br ZINC000082766618 178280970 /nfs/dbraw/zinc/28/09/70/178280970.db2.gz ZWNHILQAYRZKGO-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN CNc1cccc2c1ccnc2OCc1ccccc1 ZINC000082767821 178282209 /nfs/dbraw/zinc/28/22/09/178282209.db2.gz SUYDLMCWTJZNAF-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN Cc1cc(Br)nc2c(F)cc(F)cc12 ZINC000082788575 178293816 /nfs/dbraw/zinc/29/38/16/178293816.db2.gz AJIXXTMFLMEQQH-UHFFFAOYSA-N 0 0 258.065 3.584 10 0 CHAERN Cc1cc(Cl)c(C(=O)c2cccc(N)c2)cc1C ZINC000083165586 178347214 /nfs/dbraw/zinc/34/72/14/178347214.db2.gz HKLKCAJLWDIYPQ-UHFFFAOYSA-N 0 0 259.736 3.770 10 0 CHAERN C[C@@H](O)c1ccc(Br)c2ccccc21 ZINC000083165697 178348027 /nfs/dbraw/zinc/34/80/27/178348027.db2.gz RGSAPALBKFKSDP-MRVPVSSYSA-N 0 0 251.123 3.656 10 0 CHAERN CC(C)CNC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000083260947 178375603 /nfs/dbraw/zinc/37/56/03/178375603.db2.gz AMMLNHNPROCXQL-SREVYHEPSA-N 0 0 272.175 3.779 10 0 CHAERN Oc1ccc(CNc2cccc(Cl)c2)cc1F ZINC000083385619 178394627 /nfs/dbraw/zinc/39/46/27/178394627.db2.gz IQQSWIVMRSDPJC-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1cccc(NCc2ccc(F)cc2Cl)c1 ZINC000083385641 178395028 /nfs/dbraw/zinc/39/50/28/178395028.db2.gz QYMPRJMDYNQKEQ-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Cc1cc(Br)cnc1NCCC(C)C ZINC000083418735 178426725 /nfs/dbraw/zinc/42/67/25/178426725.db2.gz SBUGTCMGUMNBSH-UHFFFAOYSA-N 0 0 257.175 3.611 10 0 CHAERN Cc1nc(NCCC(C)C)ccc1Br ZINC000083418733 178426960 /nfs/dbraw/zinc/42/69/60/178426960.db2.gz OCJHIJBODCDCEX-UHFFFAOYSA-N 0 0 257.175 3.611 10 0 CHAERN Cc1ccc(Cl)cc1-n1cc(Br)cn1 ZINC000096944709 185134805 /nfs/dbraw/zinc/13/48/05/185134805.db2.gz LYWUUTNFRMSXQK-UHFFFAOYSA-N 0 0 271.545 3.597 10 0 CHAERN CCc1nc2sccc2c(N[C@H]2CCC[C@@H](OC)C2)n1 ZINC000301825782 529752010 /nfs/dbraw/zinc/75/20/10/529752010.db2.gz DWNAGWGTBPPEJU-WDEREUQCSA-N 0 0 291.420 3.623 10 0 CHAERN CCC1CCC(NC(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000127129522 187284536 /nfs/dbraw/zinc/28/45/36/187284536.db2.gz YYWRBMHQQSIOTQ-VQCLRJIVSA-N 0 0 289.423 3.753 10 0 CHAERN C[C@@H]1Cc2ccccc2N(c2ccc(C=O)cc2)C1 ZINC000104177359 136525920 /nfs/dbraw/zinc/52/59/20/136525920.db2.gz APYFXVXPJYHKIX-CYBMUJFWSA-N 0 0 251.329 3.829 10 0 CHAERN Cc1ccc2sc(C=O)c(Br)c2c1 ZINC000098179582 185698620 /nfs/dbraw/zinc/69/86/20/185698620.db2.gz BUMGRLYUTRBJIW-UHFFFAOYSA-N 0 0 255.136 3.785 10 0 CHAERN Cc1ccc2c(c1)CCCN2C(=S)NC1CCCC1 ZINC000013754000 136570205 /nfs/dbraw/zinc/57/02/05/136570205.db2.gz BSWVVGDDXJAFIY-UHFFFAOYSA-N 0 0 274.433 3.565 10 0 CHAERN CCOc1ccc(NC(=O)/C=C\c2ccc(CC)o2)cc1 ZINC000102804501 185792188 /nfs/dbraw/zinc/79/21/88/185792188.db2.gz UTSZTJHXNMGFRG-QXMHVHEDSA-N 0 0 285.343 3.893 10 0 CHAERN CCCc1nnc(Cl)n1[C@@H](C)c1ccccc1C ZINC000103928993 185863590 /nfs/dbraw/zinc/86/35/90/185863590.db2.gz YICAEEGCFUHYPX-NSHDSACASA-N 0 0 263.772 3.802 10 0 CHAERN C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)ccc2N)C1 ZINC000103969594 185871023 /nfs/dbraw/zinc/87/10/23/185871023.db2.gz LBUDZIFNKXGDDC-MWLCHTKSSA-N 0 0 267.756 3.658 10 0 CHAERN Nc1ccccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000104037318 185885007 /nfs/dbraw/zinc/88/50/07/185885007.db2.gz UKRHFGUVUBTJJN-UHFFFAOYSA-N 0 0 257.377 3.864 10 0 CHAERN CC(C)[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[C@@H](C)O ZINC000104052770 185886056 /nfs/dbraw/zinc/88/60/56/185886056.db2.gz BVJMULSBBZVIIV-BXKDBHETSA-N 0 0 280.755 3.510 10 0 CHAERN CC(C)CCCNc1ccc(Cl)cc1C(N)=S ZINC000104171530 185916064 /nfs/dbraw/zinc/91/60/64/185916064.db2.gz YANVTIPZLKVLAV-UHFFFAOYSA-N 0 0 270.829 3.822 10 0 CHAERN CCCOCCOCc1cc2ccccc2nc1Cl ZINC000104231805 185937350 /nfs/dbraw/zinc/93/73/50/185937350.db2.gz AFKJMGCBIMCQHM-UHFFFAOYSA-N 0 0 279.767 3.831 10 0 CHAERN COc1cc(NCc2cccc(Cl)c2)ccc1N ZINC000104234157 185938968 /nfs/dbraw/zinc/93/89/68/185938968.db2.gz SQFHFZGHYJZZCH-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN CC[C@H]1CCCC[C@@H]1NC(=O)c1c(N)cccc1Cl ZINC000104327392 185970312 /nfs/dbraw/zinc/97/03/12/185970312.db2.gz RUQXLGXMKXMKMO-GWCFXTLKSA-N 0 0 280.799 3.621 10 0 CHAERN Cc1nc(-c2ccccc2)ncc1NC(=O)c1ccccc1 ZINC000090624326 180015256 /nfs/dbraw/zinc/01/52/56/180015256.db2.gz XIIIOVPCUZVRLF-UHFFFAOYSA-N 0 0 289.338 3.704 10 0 CHAERN CN(C)c1ccc(-c2ncc(-c3ccccc3)o2)cc1C=O ZINC000090668866 180020228 /nfs/dbraw/zinc/02/02/28/180020228.db2.gz UZOUGBZKPXETNX-UHFFFAOYSA-N 0 0 292.338 3.887 10 0 CHAERN CC(C)(C)c1cc(-c2nccc3ccccc32)n[nH]1 ZINC000090764675 180036901 /nfs/dbraw/zinc/03/69/01/180036901.db2.gz IZOVXPOCCPKGHH-UHFFFAOYSA-N 0 0 251.333 3.922 10 0 CHAERN COc1ccc(OC)c([C@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104450188 186007007 /nfs/dbraw/zinc/00/70/07/186007007.db2.gz NWBDSQAGXLZWEW-SMDDNHRTSA-N 0 0 266.381 3.810 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(SC(F)(F)F)CC1 ZINC000091252864 180114962 /nfs/dbraw/zinc/11/49/62/180114962.db2.gz RJEYIHYAPMMEJO-UHFFFAOYSA-N 0 0 285.331 3.639 10 0 CHAERN F[C@H]1Oc2cc(Cl)c(Cl)cc2OC1(F)F ZINC000091252140 180114011 /nfs/dbraw/zinc/11/40/11/180114011.db2.gz LNKLSARNVLCRPV-ZETCQYMHSA-N 0 0 259.010 3.653 10 0 CHAERN FC(F)(F)Oc1cnc(Cl)cc1C(F)(F)F ZINC000091252410 180114628 /nfs/dbraw/zinc/11/46/28/180114628.db2.gz ZAQILQGBYIRNMJ-UHFFFAOYSA-N 0 0 265.540 3.652 10 0 CHAERN Clc1cccc(COc2cc(Cl)ccn2)c1 ZINC000091362068 180141711 /nfs/dbraw/zinc/14/17/11/180141711.db2.gz YUJCAPDHBSQBOL-UHFFFAOYSA-N 0 0 254.116 3.967 10 0 CHAERN CNc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000050722904 522599155 /nfs/dbraw/zinc/59/91/55/522599155.db2.gz ZPTUNFSLJLBXEX-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1cccc(C)c1N ZINC000109893669 186279097 /nfs/dbraw/zinc/27/90/97/186279097.db2.gz KGDYLCCAUARDFW-JSGCOSHPSA-N 0 0 261.365 3.703 10 0 CHAERN C[C@H]1CCCC[C@H]1OC(=O)c1cc(Cl)ccc1N ZINC000110463590 186296979 /nfs/dbraw/zinc/29/69/79/186296979.db2.gz WGAIUCCPWZNVQQ-TVQRCGJNSA-N 0 0 267.756 3.658 10 0 CHAERN CCNc1cc(C2CC2)nc(-c2ccccc2C)n1 ZINC000110514477 186299876 /nfs/dbraw/zinc/29/98/76/186299876.db2.gz OGHSBZPPQARCKR-UHFFFAOYSA-N 0 0 253.349 3.761 10 0 CHAERN Cc1cc2c(nc(-c3cccnc3)nc2Cl)s1 ZINC000110921638 186332972 /nfs/dbraw/zinc/33/29/72/186332972.db2.gz CUURLLLXVGYGBR-UHFFFAOYSA-N 0 0 261.737 3.715 10 0 CHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121875286 187002217 /nfs/dbraw/zinc/00/22/17/187002217.db2.gz BEWPNHBMEVWLJM-UONOGXRCSA-N 0 0 294.310 3.677 10 0 CHAERN Fc1cc2c(cc1Br)N(C1CCCC1)CCN2 ZINC000158848502 188396917 /nfs/dbraw/zinc/39/69/17/188396917.db2.gz ROJMLWGOWDZIPC-UHFFFAOYSA-N 0 0 299.187 3.763 10 0 CHAERN O[C@H](c1ccccc1)[C@@H](c1ccccc1)c1cccnc1 ZINC000169318308 188657340 /nfs/dbraw/zinc/65/73/40/188657340.db2.gz GFGJRXBLJSDLFP-RBUKOAKNSA-N 0 0 275.351 3.947 10 0 CHAERN C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000018174811 261055144 /nfs/dbraw/zinc/05/51/44/261055144.db2.gz IOQHMQYQEYCBFY-SSDOTTSWSA-N 0 0 273.163 3.913 10 0 CHAERN Fc1c(Cl)c(Br)cc2ncnc(Cl)c12 ZINC000261508662 190040377 /nfs/dbraw/zinc/04/03/77/190040377.db2.gz VPBNWUYJNZPOSE-UHFFFAOYSA-N 0 0 295.926 3.838 10 0 CHAERN O=C(Nc1cccnc1)N1CCc2cc3sccc3cc21 ZINC000000006169 169504946 /nfs/dbraw/zinc/50/49/46/169504946.db2.gz GHKQFJFLZKURFZ-UHFFFAOYSA-N 0 0 295.367 3.891 10 0 CHAERN C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000000123959 169544210 /nfs/dbraw/zinc/54/42/10/169544210.db2.gz DSTUVUHCLPYDDH-LURJTMIESA-N 0 0 258.104 3.702 10 0 CHAERN Cc1ccc(Br)cc1N[C@@H]1CCCCC[C@H]1O ZINC000037893659 184544002 /nfs/dbraw/zinc/54/40/02/184544002.db2.gz OCMXXEXEZGOOCI-TZMCWYRMSA-N 0 0 298.224 3.863 10 0 CHAERN CCCCN(C(=O)C(CC)CC)c1nc(C)co1 ZINC000039246373 184545051 /nfs/dbraw/zinc/54/50/51/184545051.db2.gz OJPLOCHZOYBEIG-UHFFFAOYSA-N 0 0 252.358 3.552 10 0 CHAERN Brc1cccc([C@H]2OCCCS2)c1 ZINC000039325860 184545657 /nfs/dbraw/zinc/54/56/57/184545657.db2.gz MEEWQZWPLNYYER-JTQLQIEISA-N 0 0 259.168 3.601 10 0 CHAERN CCN(Cc1ccccc1Br)C(F)(F)F ZINC000095091120 184939700 /nfs/dbraw/zinc/93/97/00/184939700.db2.gz DHENBTNZXWPSRX-UHFFFAOYSA-N 0 0 282.103 3.791 10 0 CHAERN COc1ccc([C@@H]2OCC(C)(C)[C@@H](C(C)C)O2)cc1 ZINC000001641665 169731854 /nfs/dbraw/zinc/73/18/54/169731854.db2.gz SAPSRDCAWQTFLZ-HUUCEWRRSA-N 0 0 264.365 3.791 10 0 CHAERN CCCN(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CC1 ZINC000171418671 335065379 /nfs/dbraw/zinc/06/53/79/335065379.db2.gz ARSJYAXJTMZBPL-QWRGUYRKSA-N 0 0 292.345 3.692 10 0 CHAERN Nc1cccc2c1CCCN2Cc1cccc(Cl)c1 ZINC000037906202 134850984 /nfs/dbraw/zinc/85/09/84/134850984.db2.gz NBLHDGSESNUKMJ-UHFFFAOYSA-N 0 0 272.779 3.875 10 0 CHAERN C[C@H]1c2ccsc2CCN1c1ccccc1C(N)=S ZINC000042780983 134896726 /nfs/dbraw/zinc/89/67/26/134896726.db2.gz NKUNJAUYQMKZQL-JTQLQIEISA-N 0 0 288.441 3.506 10 0 CHAERN C[C@@H]1c2ccsc2CCN1c1ccc(C(N)=S)cc1 ZINC000042780978 134896909 /nfs/dbraw/zinc/89/69/09/134896909.db2.gz HVADRTJFRAVKCN-SNVBAGLBSA-N 0 0 288.441 3.506 10 0 CHAERN C[C@H](CO)c1ccc2nc(-c3ccccc3)oc2c1 ZINC000002005493 169767086 /nfs/dbraw/zinc/76/70/86/169767086.db2.gz SQNDMDKKUAMDFF-LLVKDONJSA-N 0 0 253.301 3.591 10 0 CHAERN Cc1cc(Cl)cc2sc(NC(=O)C3CC3)nc21 ZINC000002713932 169822119 /nfs/dbraw/zinc/82/21/19/169822119.db2.gz OVNGNPYLCJBDEM-UHFFFAOYSA-N 0 0 266.753 3.607 10 0 CHAERN Cc1cc(C)nc(SC(=O)c2ccc(Cl)cc2)n1 ZINC000003073974 169853043 /nfs/dbraw/zinc/85/30/43/169853043.db2.gz ZFKDEEXPIJHIRO-UHFFFAOYSA-N 0 0 278.764 3.679 10 0 CHAERN COc1cc(C=O)cc(Oc2cccc(C)c2C)c1OC ZINC000004227087 169945820 /nfs/dbraw/zinc/94/58/20/169945820.db2.gz QKYOVQSOJXIBCG-UHFFFAOYSA-N 0 0 286.327 3.925 10 0 CHAERN CC(=O)Nc1cc2ccccc2cc1Br ZINC000005160617 170072312 /nfs/dbraw/zinc/07/23/12/170072312.db2.gz LVFGSFGSVRMEDI-UHFFFAOYSA-N 0 0 264.122 3.561 10 0 CHAERN CCC[C@H](O)[C@H](C)Sc1nc2ccccc2s1 ZINC000005310876 170084844 /nfs/dbraw/zinc/08/48/44/170084844.db2.gz ZVJAAIVVPNYVCM-ONGXEEELSA-N 0 0 267.419 3.938 10 0 CHAERN CCC[C@@H](c1ccc(OC)cc1)n1nnc2ccccc21 ZINC000005310888 170084848 /nfs/dbraw/zinc/08/48/48/170084848.db2.gz RJOWVTZELBPCQR-INIZCTEOSA-N 0 0 281.359 3.829 10 0 CHAERN Nc1n[nH]c(-c2cccc3cc[nH]c32)c1-c1ccccc1 ZINC000005323550 170085585 /nfs/dbraw/zinc/08/55/85/170085585.db2.gz IOXJSIKSELPHKN-UHFFFAOYSA-N 0 0 274.327 3.807 10 0 CHAERN Cc1ccc([C@H]2OC(=O)C=C2c2ccccc2)cc1 ZINC000005416426 170096463 /nfs/dbraw/zinc/09/64/63/170096463.db2.gz GQUCWIRGHQQDML-QGZVFWFLSA-N 0 0 250.297 3.677 10 0 CHAERN Cc1ccc(C)c(OCc2ccc(C(N)=S)cc2)c1C ZINC000005592558 170117483 /nfs/dbraw/zinc/11/74/83/170117483.db2.gz OEMOGETUCBHUBW-UHFFFAOYSA-N 0 0 285.412 3.825 10 0 CHAERN CCN(C(=O)N(C)c1ccccc1)c1ccccc1 ZINC000005650362 170123903 /nfs/dbraw/zinc/12/39/03/170123903.db2.gz FOHIURCGHCHRHW-UHFFFAOYSA-N 0 0 254.333 3.769 10 0 CHAERN CC[C@@H](C)Oc1cc(N)nc(Sc2ccc(F)cc2)n1 ZINC000005845788 170146803 /nfs/dbraw/zinc/14/68/03/170146803.db2.gz UURKELCZHKBJLY-SECBINFHSA-N 0 0 293.367 3.526 10 0 CHAERN Nc1cccc2c(=O)cc(-c3ccccc3)sc12 ZINC000005939297 170159364 /nfs/dbraw/zinc/15/93/64/170159364.db2.gz VSBSJLTZGQSWDQ-UHFFFAOYSA-N 0 0 253.326 3.511 10 0 CHAERN CC(C)c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000006201494 170182130 /nfs/dbraw/zinc/18/21/30/170182130.db2.gz QLCSRHZWZUHKHW-XJKSGUPXSA-N 0 0 275.392 3.810 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000006261715 170186219 /nfs/dbraw/zinc/18/62/19/170186219.db2.gz XBZHAXVUPHPQJG-FYWRMAATSA-N 0 0 265.356 3.749 10 0 CHAERN CCc1ccccc1NC(=O)CCOc1ccc(C)cc1 ZINC000006258845 170186433 /nfs/dbraw/zinc/18/64/33/170186433.db2.gz JKJYLRYHXNPLED-UHFFFAOYSA-N 0 0 283.371 3.965 10 0 CHAERN Cc1ccc(Cc2cnc(NC(=O)C(C)C)s2)cc1 ZINC000006300226 170189364 /nfs/dbraw/zinc/18/93/64/170189364.db2.gz RILSCCVHPKETPM-UHFFFAOYSA-N 0 0 274.389 3.637 10 0 CHAERN CC(C)C1N=NC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000006712746 170231396 /nfs/dbraw/zinc/23/13/96/170231396.db2.gz KTFXUSIDQGLGNJ-UHFFFAOYSA-N 0 0 288.203 3.986 10 0 CHAERN CC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C ZINC000006781374 170242831 /nfs/dbraw/zinc/24/28/31/170242831.db2.gz ZVVKQGAJWBZQKO-UHFFFAOYSA-N 0 0 283.356 3.625 10 0 CHAERN CC(C)c1nnc(SCc2ccc(Cl)cc2)[nH]1 ZINC000006782172 170242973 /nfs/dbraw/zinc/24/29/73/170242973.db2.gz ZRVUKKCDQCGVOF-UHFFFAOYSA-N 0 0 267.785 3.874 10 0 CHAERN CCCCNC(=O)c1ccc(-c2c(C)noc2C)s1 ZINC000007261600 170274035 /nfs/dbraw/zinc/27/40/35/170274035.db2.gz GKNQSECRPFYOJW-UHFFFAOYSA-N 0 0 278.377 3.550 10 0 CHAERN COc1ccc(-c2csc(NC(C)C)n2)cc1F ZINC000007274174 170274969 /nfs/dbraw/zinc/27/49/69/170274969.db2.gz PDECZMANOJTMDD-UHFFFAOYSA-N 0 0 266.341 3.778 10 0 CHAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)o1 ZINC000007885402 170306220 /nfs/dbraw/zinc/30/62/20/170306220.db2.gz RLPDVMXOEOEZFZ-ZBEGNZNMSA-N 0 0 284.359 3.953 10 0 CHAERN O=C(NC1CCCC1)c1csc(-c2ccsc2)n1 ZINC000007951180 170309393 /nfs/dbraw/zinc/30/93/93/170309393.db2.gz DUHNVRIYXUMWHX-UHFFFAOYSA-N 0 0 278.402 3.544 10 0 CHAERN CC(=O)c1cccc(NC(=O)C=Cc2ccccc2C)c1 ZINC000007968823 170310355 /nfs/dbraw/zinc/31/03/55/170310355.db2.gz WQFGOHORBNXCBE-ZHACJKMWSA-N 0 0 279.339 3.850 10 0 CHAERN COc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1 ZINC000008162831 170322040 /nfs/dbraw/zinc/32/20/40/170322040.db2.gz DEUUEAWEFLKOQP-AWEZNQCLSA-N 0 0 299.370 3.718 10 0 CHAERN COc1ccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)cc1 ZINC000008162834 170322218 /nfs/dbraw/zinc/32/22/18/170322218.db2.gz DEUUEAWEFLKOQP-CQSZACIVSA-N 0 0 299.370 3.718 10 0 CHAERN Cc1cccc(/C=C/C(=O)Nc2cccc(C)c2)c1 ZINC000008206656 170324405 /nfs/dbraw/zinc/32/44/05/170324405.db2.gz BFWBIXSOQWYKNM-MDZDMXLPSA-N 0 0 251.329 3.955 10 0 CHAERN Cc1noc(C)c1-c1ccc(C(=O)NC(C)(C)C)s1 ZINC000008536057 170339005 /nfs/dbraw/zinc/33/90/05/170339005.db2.gz UVTVIAYBUIHGPR-UHFFFAOYSA-N 0 0 278.377 3.548 10 0 CHAERN COc1ccccc1-c1cccc(Br)c1O ZINC000008699861 170346179 /nfs/dbraw/zinc/34/61/79/170346179.db2.gz FOUMGJJWRASTQU-UHFFFAOYSA-N 0 0 279.133 3.830 10 0 CHAERN O=C(Nc1onc2c1CCC2)c1ccc(Cl)cc1Cl ZINC000008976372 170359973 /nfs/dbraw/zinc/35/99/73/170359973.db2.gz IGJOAEGPKRXBCA-UHFFFAOYSA-N 0 0 297.141 3.722 10 0 CHAERN OC[C@H](Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000011734403 170436534 /nfs/dbraw/zinc/43/65/34/170436534.db2.gz PLFRWZFMQLEDEB-ZDUSSCGKSA-N 0 0 264.727 3.798 10 0 CHAERN O=Cc1ccc(-c2sccc2Br)cc1 ZINC000012370818 170480614 /nfs/dbraw/zinc/48/06/14/170480614.db2.gz BTYZFUJFFBNJTP-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN C[C@H]1CCC[C@H](C)N1C(=S)NCc1ccc(Cl)cc1 ZINC000013827002 170601283 /nfs/dbraw/zinc/60/12/83/170601283.db2.gz FKOSOWHIYGSULY-RYUDHWBXSA-N 0 0 296.867 3.977 10 0 CHAERN N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000015052851 170655413 /nfs/dbraw/zinc/65/54/13/170655413.db2.gz GQIPSAKAAMCFLD-SFSYWFQMSA-N 0 0 298.342 3.881 10 0 CHAERN Nc1ccc(C(=O)Nc2cccc3ncccc32)c(Cl)c1 ZINC000019265612 170764446 /nfs/dbraw/zinc/76/44/46/170764446.db2.gz OKMAWZZYYMVBDS-UHFFFAOYSA-N 0 0 297.745 3.723 10 0 CHAERN CC(C)c1ccc(C(=O)Nc2ccc(F)cc2N)cc1 ZINC000019408876 170788110 /nfs/dbraw/zinc/78/81/10/170788110.db2.gz WDLNKOJRXXVVRX-UHFFFAOYSA-N 0 0 272.323 3.784 10 0 CHAERN COc1ccc(CSc2ccccc2N)cc1OC ZINC000019422150 170792924 /nfs/dbraw/zinc/79/29/24/170792924.db2.gz NOKYYCDDQKISHA-UHFFFAOYSA-N 0 0 275.373 3.578 10 0 CHAERN Cc1cccc(NC(=O)[C@@H]2C[C@H](C)Nc3ccccc32)c1 ZINC000019436867 170800560 /nfs/dbraw/zinc/80/05/60/170800560.db2.gz JKBXINJWYJFDPZ-XJKSGUPXSA-N 0 0 280.371 3.921 10 0 CHAERN C[C@@H](NCC(F)(F)F)c1cccc(Br)c1 ZINC000019473301 170805900 /nfs/dbraw/zinc/80/59/00/170805900.db2.gz HYQQJUQVOJODOM-SSDOTTSWSA-N 0 0 282.103 3.662 10 0 CHAERN Cc1cccc(N)c1C(=O)Nc1ccc(Cl)cc1C ZINC000019478399 170808540 /nfs/dbraw/zinc/80/85/40/170808540.db2.gz SXKULWLMIRBUTQ-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN COc1ccc(N)cc1OCc1ccc(Cl)cc1 ZINC000019801886 170870795 /nfs/dbraw/zinc/87/07/95/170870795.db2.gz PNGNPXFTKVUVMR-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1ccc(OCc2ccccc2C(N)=S)c(C)c1 ZINC000019806243 170874983 /nfs/dbraw/zinc/87/49/83/170874983.db2.gz FAMAEVVYKBBXGB-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN CCCOc1ccccc1Oc1ccc(F)cc1N ZINC000019869189 170900066 /nfs/dbraw/zinc/90/00/66/170900066.db2.gz LOMDTSNPOUHPDR-UHFFFAOYSA-N 0 0 261.296 3.989 10 0 CHAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(O)cc1 ZINC000019907590 170919721 /nfs/dbraw/zinc/91/97/21/170919721.db2.gz GUTDJTGZVIGWEM-QMMMGPOBSA-N 0 0 267.250 3.983 10 0 CHAERN CC(=O)Nc1cccc(N[C@@H]2CCOc3ccccc32)c1 ZINC000019917396 170926273 /nfs/dbraw/zinc/92/62/73/170926273.db2.gz YGQRLJYNBLFRIA-MRXNPFEDSA-N 0 0 282.343 3.581 10 0 CHAERN CCCOc1ccccc1Oc1ccccc1C(N)=S ZINC000020077352 170985152 /nfs/dbraw/zinc/98/51/52/170985152.db2.gz NRJMNQPMHCORRC-UHFFFAOYSA-N 0 0 287.384 3.902 10 0 CHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)Sc1cccs1 ZINC000020078147 170985166 /nfs/dbraw/zinc/98/51/66/170985166.db2.gz LZTDJZVSQBGVPY-JTQLQIEISA-N 0 0 292.429 3.758 10 0 CHAERN CNC(=O)c1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000020124677 171007244 /nfs/dbraw/zinc/00/72/44/171007244.db2.gz ZUZXZWYOTHJHEC-HNNXBMFYSA-N 0 0 298.411 3.695 10 0 CHAERN C[C@H](Nc1cccc(C(N)=O)c1)c1nc2ccccc2s1 ZINC000020124979 171007650 /nfs/dbraw/zinc/00/76/50/171007650.db2.gz IAAMZSFOEMEXOX-JTQLQIEISA-N 0 0 297.383 3.568 10 0 CHAERN CC1CCC(Nc2ccc(-c3nnco3)cc2)CC1 ZINC000020186800 171051120 /nfs/dbraw/zinc/05/11/20/171051120.db2.gz SCLDQRMPRDHHCZ-UHFFFAOYSA-N 0 0 257.337 3.727 10 0 CHAERN CC(C)c1ccccc1NC(=O)CCc1cccc(N)c1 ZINC000020187108 171051363 /nfs/dbraw/zinc/05/13/63/171051363.db2.gz NRRARNQDTJXUSV-UHFFFAOYSA-N 0 0 282.387 3.964 10 0 CHAERN Nc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000020193276 171058894 /nfs/dbraw/zinc/05/88/94/171058894.db2.gz VPRBXDHFESLKBS-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN Cc1c(N)cccc1CN1c2ccccc2C[C@@H]1C ZINC000020192632 171059065 /nfs/dbraw/zinc/05/90/65/171059065.db2.gz KSSDNIXOEIWUMW-LBPRGKRZSA-N 0 0 252.361 3.528 10 0 CHAERN Cc1ccc(Cl)cc1N[C@H](C)C(=O)NC1CCCCC1 ZINC000020301448 171138768 /nfs/dbraw/zinc/13/87/68/171138768.db2.gz MIIJWJGXSPTDKE-GFCCVEGCSA-N 0 0 294.826 3.898 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1F)C(=O)Nc1ccccc1 ZINC000020301625 171139560 /nfs/dbraw/zinc/13/95/60/171139560.db2.gz WVEHYUPKEDMTSM-JTQLQIEISA-N 0 0 292.741 3.918 10 0 CHAERN CC(C)CNC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020359413 171158371 /nfs/dbraw/zinc/15/83/71/171158371.db2.gz IZCMCKBKMQXPPI-SECBINFHSA-N 0 0 289.206 3.566 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366398 171165163 /nfs/dbraw/zinc/16/51/63/171165163.db2.gz MRZDUEKTFHPVHV-SECBINFHSA-N 0 0 289.206 3.710 10 0 CHAERN CC(C)CCNC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020366449 171165205 /nfs/dbraw/zinc/16/52/05/171165205.db2.gz OFQHWGUBZUUSCK-AWEZNQCLSA-N 0 0 284.403 3.803 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020366567 171165235 /nfs/dbraw/zinc/16/52/35/171165235.db2.gz JNSYFAZCEHOKDX-BDAKNGLRSA-N 0 0 289.206 3.709 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cc(Cl)ccc1C ZINC000020367271 171165914 /nfs/dbraw/zinc/16/59/14/171165914.db2.gz GCBVPKYBRUJKPD-NSHDSACASA-N 0 0 282.815 3.754 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020368299 171166491 /nfs/dbraw/zinc/16/64/91/171166491.db2.gz TWQMUHHGFOHDEK-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN CCOc1ccc([C@@H](N)c2cc3ccccc3o2)cc1 ZINC000020369202 171167212 /nfs/dbraw/zinc/16/72/12/171167212.db2.gz BIQLFOJIPKPMKL-QGZVFWFLSA-N 0 0 267.328 3.880 10 0 CHAERN COc1ccc(CNc2c(N)cccc2Cl)cc1 ZINC000020382764 171173107 /nfs/dbraw/zinc/17/31/07/171173107.db2.gz UMEAAWMKYUIEPU-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Nc1cccc(Cl)c1NCCc1ccc(F)cc1 ZINC000020382327 171173245 /nfs/dbraw/zinc/17/32/45/171173245.db2.gz YMIPVRRLKFPJGE-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Nc1ccc(NCCc2ccccc2F)c(Cl)c1 ZINC000020382897 171173345 /nfs/dbraw/zinc/17/33/45/171173345.db2.gz ZGTPEVMROLJRMQ-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN COc1ccc(CCNc2ccc(Cl)cc2N)cc1 ZINC000020382681 171173493 /nfs/dbraw/zinc/17/34/93/171173493.db2.gz QFNIILOPTSMADK-UHFFFAOYSA-N 0 0 276.767 3.585 10 0 CHAERN Nc1ccc2nc(Cc3ccccc3Cl)oc2c1 ZINC000020423956 171190983 /nfs/dbraw/zinc/19/09/83/171190983.db2.gz UXDXHFDIUOKVHH-UHFFFAOYSA-N 0 0 258.708 3.654 10 0 CHAERN Nc1ccccc1COc1ccc(Br)cc1F ZINC000020473991 171218027 /nfs/dbraw/zinc/21/80/27/171218027.db2.gz VHPDUFLECGBBTD-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN CCC[C@H](C)Nc1cccc(I)c1 ZINC000020478469 171220792 /nfs/dbraw/zinc/22/07/92/171220792.db2.gz NYMBTNSYEGAGMU-VIFPVBQESA-N 0 0 289.160 3.892 10 0 CHAERN CCC(CC)Nc1ccc(I)cc1 ZINC000020477689 171220848 /nfs/dbraw/zinc/22/08/48/171220848.db2.gz HCNAKGWMOBZPQC-UHFFFAOYSA-N 0 0 289.160 3.892 10 0 CHAERN CC(C)CSCCC(=O)Nc1ccc(N)cc1Cl ZINC000020484169 171223527 /nfs/dbraw/zinc/22/35/27/171223527.db2.gz HMXIAGPQPZUVRS-UHFFFAOYSA-N 0 0 286.828 3.640 10 0 CHAERN CC1(C)CC[C@H](NCC(F)(F)F)c2ccccc21 ZINC000020525492 171238187 /nfs/dbraw/zinc/23/81/87/171238187.db2.gz YJAXJLBPEDEQCW-LBPRGKRZSA-N 0 0 257.299 3.951 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cc(C(N)=S)ccn1 ZINC000020548785 171245739 /nfs/dbraw/zinc/24/57/39/171245739.db2.gz GYRKTVNMZBZODE-UBHSHLNASA-N 0 0 292.448 3.555 10 0 CHAERN NC(=S)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000020566408 171254827 /nfs/dbraw/zinc/25/48/27/171254827.db2.gz HFRPOYLSRDQNSX-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN Cc1cc(Br)ccc1-n1cc[nH]c1=S ZINC000020581172 171257220 /nfs/dbraw/zinc/25/72/20/171257220.db2.gz VQGFAHZKEPSIDY-UHFFFAOYSA-N 0 0 269.167 3.606 10 0 CHAERN COc1cccc(Nc2ccc(Br)cc2N)c1 ZINC000020585721 171258887 /nfs/dbraw/zinc/25/88/87/171258887.db2.gz DKCPAFHQMPRKQR-UHFFFAOYSA-N 0 0 293.164 3.784 10 0 CHAERN CC(C)C1N=NC(=S)N1c1cc(Cl)ccc1Cl ZINC000020588717 171260092 /nfs/dbraw/zinc/26/00/92/171260092.db2.gz YBEWMSUNXIIQJW-UHFFFAOYSA-N 0 0 288.203 3.986 10 0 CHAERN C[C@@H]1CCC[C@H](n2c(=S)[nH]nc2C2CC2)[C@@H]1C ZINC000020590415 171261010 /nfs/dbraw/zinc/26/10/10/171261010.db2.gz WJBQPMVKHPCTMD-KKZNHRDASA-N 0 0 251.399 3.815 10 0 CHAERN Fc1ccc(F)c(N2C(=S)N=NC2c2cccs2)c1 ZINC000020591099 171261512 /nfs/dbraw/zinc/26/15/12/171261512.db2.gz VZMMDOAQGWVTFO-UHFFFAOYSA-N 0 0 295.339 3.563 10 0 CHAERN CC(C)C(=O)Nc1ccc(-c2nnc(C(C)(C)C)o2)cc1 ZINC000021004240 171284912 /nfs/dbraw/zinc/28/49/12/171284912.db2.gz APZIQQIKGRVONC-UHFFFAOYSA-N 0 0 287.363 3.629 10 0 CHAERN CC(C)c1ccc(Nc2cc(C(N)=S)ccn2)cc1 ZINC000021007658 171285243 /nfs/dbraw/zinc/28/52/43/171285243.db2.gz FJQLLKLWJRGMGR-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN COc1ccc(N[C@@H](C)c2ccc(C)c(C)c2)cn1 ZINC000021012080 171287537 /nfs/dbraw/zinc/28/75/37/171287537.db2.gz VPGIVPDIHLEUOT-ZDUSSCGKSA-N 0 0 256.349 3.880 10 0 CHAERN CC[C@H](C)C[C@H](CC)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000021014854 171289205 /nfs/dbraw/zinc/28/92/05/171289205.db2.gz ICTHMPLRHMUAAP-RYUDHWBXSA-N 0 0 288.391 3.539 10 0 CHAERN CCc1ccccc1Nc1ccccc1C(N)=S ZINC000021050413 171294732 /nfs/dbraw/zinc/29/47/32/171294732.db2.gz SFAJTAMYKSAVRP-UHFFFAOYSA-N 0 0 256.374 3.627 10 0 CHAERN CC(C)c1ccc(Oc2cc3c(cc2N)OCCO3)cc1 ZINC000021054199 171295527 /nfs/dbraw/zinc/29/55/27/171295527.db2.gz KULJMICJHDRYBF-UHFFFAOYSA-N 0 0 285.343 3.956 10 0 CHAERN NC(=S)c1ccccc1NC1CCCCCCC1 ZINC000021062245 171297073 /nfs/dbraw/zinc/29/70/73/171297073.db2.gz QAPJXIAOJBADGE-UHFFFAOYSA-N 0 0 262.422 3.846 10 0 CHAERN CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 ZINC000021334979 171302671 /nfs/dbraw/zinc/30/26/71/171302671.db2.gz AZUOEVLNUPORMH-STQMWFEESA-N 0 0 283.437 3.523 10 0 CHAERN c1ccc(-c2ncc(-c3nc4ccccc4o3)cn2)cc1 ZINC000021356827 171303207 /nfs/dbraw/zinc/30/32/07/171303207.db2.gz ZTWPQOKOYMJQHL-UHFFFAOYSA-N 0 0 273.295 3.952 10 0 CHAERN C[C@H]1[C@H](NC(=O)c2cc(Cl)ccc2O)CCC[C@@H]1C ZINC000021517302 171313739 /nfs/dbraw/zinc/31/37/39/171313739.db2.gz QAUFZNFILNVGSZ-OPQQBVKSSA-N 0 0 281.783 3.600 10 0 CHAERN CCc1ccc(Oc2ccccc2C(N)=S)cc1 ZINC000021518558 171314666 /nfs/dbraw/zinc/31/46/66/171314666.db2.gz GRIQRBQFGJECNS-UHFFFAOYSA-N 0 0 257.358 3.676 10 0 CHAERN COc1ccc(CSCc2ccccc2)cc1N ZINC000021791786 171324143 /nfs/dbraw/zinc/32/41/43/171324143.db2.gz QVPFSJHCBPSQBK-UHFFFAOYSA-N 0 0 259.374 3.711 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2N1 ZINC000021800493 171325954 /nfs/dbraw/zinc/32/59/54/171325954.db2.gz ZEGKZKBCWYWSLX-RZLSGREXSA-N 0 0 286.419 3.764 10 0 CHAERN CC(=O)c1ccccc1N(C)Cc1ccc(C)cc1 ZINC000021807941 171328109 /nfs/dbraw/zinc/32/81/09/171328109.db2.gz LJLJRNUAJYKHQL-UHFFFAOYSA-N 0 0 253.345 3.834 10 0 CHAERN Cc1ccccc1C(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000021954068 171340840 /nfs/dbraw/zinc/34/08/40/171340840.db2.gz DAHTVVHAIGPHOQ-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Cc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000021955005 171340910 /nfs/dbraw/zinc/34/09/10/171340910.db2.gz VZDSLGNMZITMPL-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Nc1ccc(NC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000021955110 171341075 /nfs/dbraw/zinc/34/10/75/171341075.db2.gz AYLWPSVDMLQDJX-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Cc1cccc(NC(=O)Nc2ccc(N)cc2Cl)c1 ZINC000021956933 171341842 /nfs/dbraw/zinc/34/18/42/171341842.db2.gz DUVNBQWFGIDFOP-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN COc1ccccc1NC(=O)Nc1ccc(N)cc1Cl ZINC000021956922 171342008 /nfs/dbraw/zinc/34/20/08/171342008.db2.gz BNDJKZXDHFHWQV-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN COc1ccc([C@@H]2CC(=O)CCN2Cc2ccccc2)cc1 ZINC000021987418 171345751 /nfs/dbraw/zinc/34/57/51/171345751.db2.gz GUWWSVMOVFBYII-IBGZPJMESA-N 0 0 295.382 3.601 10 0 CHAERN COc1ccc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 ZINC000022148048 171357685 /nfs/dbraw/zinc/35/76/85/171357685.db2.gz VQUSJLUIRXBVFM-CFVMTHIKSA-N 0 0 262.397 3.963 10 0 CHAERN Cc1ccc(Cl)c(Cc2cnc(N)s2)c1Cl ZINC000022151175 171358447 /nfs/dbraw/zinc/35/84/47/171358447.db2.gz RSPSBVXFVRGQFD-UHFFFAOYSA-N 0 0 273.188 3.931 10 0 CHAERN CC(C)(C)CC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000022172189 171368752 /nfs/dbraw/zinc/36/87/52/171368752.db2.gz MMPOJUXBSOGKFX-UHFFFAOYSA-N 0 0 274.286 3.662 10 0 CHAERN Nc1cc(NC(=O)c2ccc3ccccc3n2)ccc1Cl ZINC000022211282 171373321 /nfs/dbraw/zinc/37/33/21/171373321.db2.gz QKLJXRHPINXPDN-UHFFFAOYSA-N 0 0 297.745 3.723 10 0 CHAERN CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1N ZINC000022212656 171374548 /nfs/dbraw/zinc/37/45/48/171374548.db2.gz JFCJIBNVEPCFGK-UHFFFAOYSA-N 0 0 290.750 3.573 10 0 CHAERN CC(C)NC(=O)c1cc(-c2ccc3ccccc3c2)on1 ZINC000022351794 171385491 /nfs/dbraw/zinc/38/54/91/171385491.db2.gz ROZHGUIDCRJJKO-UHFFFAOYSA-N 0 0 280.327 3.633 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2)o1 ZINC000023305514 171419272 /nfs/dbraw/zinc/41/92/72/171419272.db2.gz WDIZCBYDWRTQIG-JTQLQIEISA-N 0 0 263.724 3.732 10 0 CHAERN O=C(C1CC1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024385293 171434546 /nfs/dbraw/zinc/43/45/46/171434546.db2.gz PPUZXFCWRQCTJO-ZDUSSCGKSA-N 0 0 286.400 3.760 10 0 CHAERN O=Cc1ccc(-c2cnc3ccccc3c2)cc1F ZINC000026543845 171491333 /nfs/dbraw/zinc/49/13/33/171491333.db2.gz JQXBYCNFXFFFOQ-UHFFFAOYSA-N 0 0 251.260 3.853 10 0 CHAERN CCc1cccc(Nc2nccc(-c3ccncc3)n2)c1 ZINC000026658055 171495059 /nfs/dbraw/zinc/49/50/59/171495059.db2.gz DMCHIPOPNUTANL-UHFFFAOYSA-N 0 0 276.343 3.845 10 0 CHAERN COc1cccc(C(=O)Cc2nc3ccccc3s2)c1 ZINC000027586562 171523710 /nfs/dbraw/zinc/52/37/10/171523710.db2.gz XOBUQNCDTOOXGM-UHFFFAOYSA-N 0 0 283.352 3.730 10 0 CHAERN O=C(c1cc(Cl)ccn1)N1CC=C(c2ccccc2)CC1 ZINC000031110587 171631176 /nfs/dbraw/zinc/63/11/76/171631176.db2.gz IEORSEGNIVHXQX-UHFFFAOYSA-N 0 0 298.773 3.665 10 0 CHAERN C[C@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCS1 ZINC000171567292 335071023 /nfs/dbraw/zinc/07/10/23/335071023.db2.gz LQEOQBJRJUPVBF-AWEZNQCLSA-N 0 0 299.439 3.736 10 0 CHAERN CC(C)[C@H]1c2ccccc2CCN1C(=O)C(C)(C)C ZINC000032251141 171722453 /nfs/dbraw/zinc/72/24/53/171722453.db2.gz NWMAVFDCEUQOKK-HNNXBMFYSA-N 0 0 259.393 3.815 10 0 CHAERN O=C(c1csc(Nc2ccccc2)n1)N1CCCCC1 ZINC000033280704 171776680 /nfs/dbraw/zinc/77/66/80/171776680.db2.gz NGTUTZFOLIBHIP-UHFFFAOYSA-N 0 0 287.388 3.513 10 0 CHAERN CC1(C)O[C@H](c2ccccc2)C(=O)N1C1CCCCC1 ZINC000034784570 171867290 /nfs/dbraw/zinc/86/72/90/171867290.db2.gz RKTZIVVGXNVNOV-OAHLLOKOSA-N 0 0 273.376 3.655 10 0 CHAERN O=C(Cc1nc2ccccc2s1)c1c(F)cccc1F ZINC000034940297 171899841 /nfs/dbraw/zinc/89/98/41/171899841.db2.gz KQRQOBXTEIHLDE-UHFFFAOYSA-N 0 0 289.306 4.000 10 0 CHAERN COc1ccc(N)cc1COc1ccccc1Cl ZINC000034959372 171905270 /nfs/dbraw/zinc/90/52/70/171905270.db2.gz MHAHFXMLABMUJP-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN COc1ccccc1-c1cc2c(nn1)CCCCCC2 ZINC000034965181 171907826 /nfs/dbraw/zinc/90/78/26/171907826.db2.gz SKXBFBSECONGDT-UHFFFAOYSA-N 0 0 268.360 3.811 10 0 CHAERN Fc1ccc(Nc2ncc(Br)s2)cc1 ZINC000034987628 171914379 /nfs/dbraw/zinc/91/43/79/171914379.db2.gz OYBJLISPJOWJOV-UHFFFAOYSA-N 0 0 273.130 3.788 10 0 CHAERN COc1ccc(C(=O)CSCC(C)C)cc1Cl ZINC000034993781 171921885 /nfs/dbraw/zinc/92/18/85/171921885.db2.gz RLVRAZBJLSDBLD-UHFFFAOYSA-N 0 0 272.797 3.921 10 0 CHAERN C[C@@H](Nc1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000035019205 171937713 /nfs/dbraw/zinc/93/77/13/171937713.db2.gz YZQKAKSPWVNYRO-GFCCVEGCSA-N 0 0 286.350 3.701 10 0 CHAERN C[C@H](C(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000035020097 171938228 /nfs/dbraw/zinc/93/82/28/171938228.db2.gz JRBCEBJBFYKVNF-LLVKDONJSA-N 0 0 296.208 3.506 10 0 CHAERN Cc1csc(Sc2ccc(N)c3cccnc23)n1 ZINC000035060272 171962195 /nfs/dbraw/zinc/96/21/95/171962195.db2.gz QQSKTFGYDUVIDD-UHFFFAOYSA-N 0 0 273.386 3.733 10 0 CHAERN CCOCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035098090 171976438 /nfs/dbraw/zinc/97/64/38/171976438.db2.gz NVKPFVQYFUMNQF-UHFFFAOYSA-N 0 0 267.678 3.807 10 0 CHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000035134659 172001833 /nfs/dbraw/zinc/00/18/33/172001833.db2.gz BEQMLZZJOMIZNI-ZOWXZIJZSA-N 0 0 270.376 3.722 10 0 CHAERN O=C(NCc1cccc(Cl)c1)c1c[nH]c2ccccc12 ZINC000035134639 172001853 /nfs/dbraw/zinc/00/18/53/172001853.db2.gz GJUCJRPVHYUYLU-UHFFFAOYSA-N 0 0 284.746 3.751 10 0 CHAERN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000035135018 172002345 /nfs/dbraw/zinc/00/23/45/172002345.db2.gz UKLVMJJSNZOISO-ZCFIWIBFSA-N 0 0 264.678 3.964 10 0 CHAERN Clc1cc(Cl)cc(NC[C@@H]2CCCCO2)c1 ZINC000035150758 172013374 /nfs/dbraw/zinc/01/33/74/172013374.db2.gz YKFWCQIWBVVKQC-LBPRGKRZSA-N 0 0 260.164 3.974 10 0 CHAERN Clc1ccc(NC[C@@H]2CCCCO2)c(Cl)c1 ZINC000035150756 172013590 /nfs/dbraw/zinc/01/35/90/172013590.db2.gz CMHWHGUIZBKPBL-JTQLQIEISA-N 0 0 260.164 3.974 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000035161471 172021363 /nfs/dbraw/zinc/02/13/63/172021363.db2.gz DWEDHUYSNLIPPL-KBPBESRZSA-N 0 0 282.387 3.820 10 0 CHAERN CC[C@@H](C)SCC(=O)c1cc(F)ccc1OC ZINC000035182559 172036204 /nfs/dbraw/zinc/03/62/04/172036204.db2.gz RKEBGUAMQNSYSN-SECBINFHSA-N 0 0 256.342 3.549 10 0 CHAERN COc1ccc(C(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000035183665 172036634 /nfs/dbraw/zinc/03/66/34/172036634.db2.gz FCSRCZZZEXAOOH-ZDUSSCGKSA-N 0 0 270.328 3.654 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000035183654 172036857 /nfs/dbraw/zinc/03/68/57/172036857.db2.gz APFABONRWGMPDM-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN O=C(COc1cccc(F)c1)c1cc2ccccc2o1 ZINC000035184120 172037198 /nfs/dbraw/zinc/03/71/98/172037198.db2.gz SEISYLXWINLAAJ-UHFFFAOYSA-N 0 0 270.259 3.834 10 0 CHAERN C[C@@H](Oc1ccccc1)C(=O)c1ccc(F)c(F)c1 ZINC000035183911 172037324 /nfs/dbraw/zinc/03/73/24/172037324.db2.gz JCEUNSXABXMBPJ-SNVBAGLBSA-N 0 0 262.255 3.615 10 0 CHAERN COc1ccc(C(=O)[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000035184346 172037983 /nfs/dbraw/zinc/03/79/83/172037983.db2.gz DARQMEKACZCXQE-AWEZNQCLSA-N 0 0 284.355 3.962 10 0 CHAERN COc1cc(C)ccc1O[C@H](C)C(=O)c1ccc(C)cc1 ZINC000035184721 172038124 /nfs/dbraw/zinc/03/81/24/172038124.db2.gz UJYJHPWJCOADSV-CQSZACIVSA-N 0 0 284.355 3.962 10 0 CHAERN Oc1cccc(CNc2cc(Cl)ccc2F)c1 ZINC000035284164 172102077 /nfs/dbraw/zinc/10/20/77/172102077.db2.gz DUWGBQZAJIJBFH-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Cn1ncc2c1CCC[C@H]2Nc1cc(Cl)ccc1F ZINC000035283904 172102103 /nfs/dbraw/zinc/10/21/03/172102103.db2.gz IBOUMOSTSGSHSH-GFCCVEGCSA-N 0 0 279.746 3.702 10 0 CHAERN Nc1ccc(F)cc1Cn1ccc2ccc(F)cc21 ZINC000035308655 172121594 /nfs/dbraw/zinc/12/15/94/172121594.db2.gz LMRDTOROGHHCRO-UHFFFAOYSA-N 0 0 258.271 3.550 10 0 CHAERN Nc1ccc(F)cc1CSc1ccc(F)cc1 ZINC000035308911 172122396 /nfs/dbraw/zinc/12/23/96/172122396.db2.gz IHOIAVSHCVSDNB-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Nc1ccc(F)cc1CSc1ccccc1F ZINC000035308905 172122417 /nfs/dbraw/zinc/12/24/17/172122417.db2.gz QERAQCYMVAWDSD-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN CCCCc1ccc([C@@H]([NH3+])CCCCC(=O)[O-])cc1 ZINC000035324274 172126611 /nfs/dbraw/zinc/12/66/11/172126611.db2.gz ZBYYJYPOTBTPPX-HNNXBMFYSA-N 0 0 263.381 3.674 10 0 CHAERN Nc1ccc(NC2CCCCCC2)c2ncccc12 ZINC000035342111 172134175 /nfs/dbraw/zinc/13/41/75/172134175.db2.gz NHPBFZJFAOPHDP-UHFFFAOYSA-N 0 0 255.365 3.952 10 0 CHAERN COc1ccc(F)cc1C(=O)c1cc2c(s1)CCC2 ZINC000035369257 172160942 /nfs/dbraw/zinc/16/09/42/172160942.db2.gz WHLFTFCUUGSFAM-UHFFFAOYSA-N 0 0 276.332 3.616 10 0 CHAERN Cc1ccc(C(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000035379406 172162519 /nfs/dbraw/zinc/16/25/19/172162519.db2.gz CRTUTOYZEZKYPD-SECBINFHSA-N 0 0 258.342 3.611 10 0 CHAERN Cc1cccc(Oc2nc3ccccn3c2C=O)c1C ZINC000035433512 172201993 /nfs/dbraw/zinc/20/19/93/172201993.db2.gz NJGOBDBDDJRZQB-UHFFFAOYSA-N 0 0 266.300 3.556 10 0 CHAERN CN[C@H](c1ccc(C)c(C)c1)C(F)(F)C(F)(F)F ZINC000035457015 172207026 /nfs/dbraw/zinc/20/70/26/172207026.db2.gz HKYUQJLEXIZHJT-SNVBAGLBSA-N 0 0 267.241 3.762 10 0 CHAERN CCN[C@@H](c1ccoc1C)c1cc(F)ccc1F ZINC000035543422 172251539 /nfs/dbraw/zinc/25/15/39/172251539.db2.gz JQZKIBQALHJDEY-AWEZNQCLSA-N 0 0 251.276 3.565 10 0 CHAERN CCN[C@@H](c1occc1C)c1ccc(F)cc1F ZINC000035547261 172255164 /nfs/dbraw/zinc/25/51/64/172255164.db2.gz CSHNSDWZHBJPES-CYBMUJFWSA-N 0 0 251.276 3.565 10 0 CHAERN O=Cc1cc(Br)c2ccccc2c1F ZINC000035570187 172265634 /nfs/dbraw/zinc/26/56/34/172265634.db2.gz JWKPPYVTUXQTSZ-UHFFFAOYSA-N 0 0 253.070 3.554 10 0 CHAERN Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2)cc1 ZINC000035577755 172274427 /nfs/dbraw/zinc/27/44/27/172274427.db2.gz GXGDMWXAOOZZPE-OAHLLOKOSA-N 0 0 274.726 3.918 10 0 CHAERN CCCN[C@@H](c1ccc2c(c1)CCC2)C(F)(F)F ZINC000035583070 172281229 /nfs/dbraw/zinc/28/12/29/172281229.db2.gz JOKIKWRTCDGFOK-ZDUSSCGKSA-N 0 0 257.299 3.778 10 0 CHAERN C[C@H](O)CCc1ccc(OCc2cccs2)cc1 ZINC000035627410 172306122 /nfs/dbraw/zinc/30/61/22/172306122.db2.gz QIPOSRDFVHKYFH-LBPRGKRZSA-N 0 0 262.374 3.641 10 0 CHAERN CCCCCCOc1ccc(CC[C@@H](C)O)cc1 ZINC000035627234 172306322 /nfs/dbraw/zinc/30/63/22/172306322.db2.gz GSVCUHVJIJRSMQ-CQSZACIVSA-N 0 0 250.382 3.959 10 0 CHAERN Cc1cccc(COc2ccc(C)cc2[C@H](C)O)c1 ZINC000035630417 172311302 /nfs/dbraw/zinc/31/13/02/172311302.db2.gz RCADEANMKNZNAQ-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN C[C@H](O)c1ccc(N2c3ccccc3C[C@H]2C)cc1 ZINC000035631253 172313217 /nfs/dbraw/zinc/31/32/17/172313217.db2.gz IOCOJOGGWVOEOI-OLZOCXBDSA-N 0 0 253.345 3.823 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035631869 172313933 /nfs/dbraw/zinc/31/39/33/172313933.db2.gz VMJRVCRUNVVSIX-SNVBAGLBSA-N 0 0 289.306 3.630 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1ccccc1F ZINC000035632192 172314781 /nfs/dbraw/zinc/31/47/81/172314781.db2.gz GOIHKSYJRPWTES-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN C[C@H](O)c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000035632280 172314843 /nfs/dbraw/zinc/31/48/43/172314843.db2.gz XSRKZHCKAGAKEN-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN CC(C)(C)OC(=O)NCCCc1c[nH]c2ccccc12 ZINC000035635871 172320883 /nfs/dbraw/zinc/32/08/83/172320883.db2.gz FHMNZEJOGNXXDA-UHFFFAOYSA-N 0 0 274.364 3.625 10 0 CHAERN Clc1cc(Cl)c(Cl)c2c1OC[C@H]2NC1CC1 ZINC000035653154 172329807 /nfs/dbraw/zinc/32/98/07/172329807.db2.gz KGIXXAJWBHSKIA-MRVPVSSYSA-N 0 0 278.566 3.832 10 0 CHAERN CC(C)=CCOc1c(Cl)cc(Cl)cc1CO ZINC000035662676 172340037 /nfs/dbraw/zinc/34/00/37/172340037.db2.gz OGRSLTJDENCLPY-UHFFFAOYSA-N 0 0 261.148 3.831 10 0 CHAERN Cc1ccc(N)cc1Oc1ccc2ccccc2n1 ZINC000035678368 172349291 /nfs/dbraw/zinc/34/92/91/172349291.db2.gz JEIZZOXUNHTJCK-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1ccc(CN(C)c2cccc(Cl)c2C=O)o1 ZINC000035699983 172368083 /nfs/dbraw/zinc/36/80/83/172368083.db2.gz FWHWVZBRECDTLT-UHFFFAOYSA-N 0 0 263.724 3.690 10 0 CHAERN CN(Cc1ccsc1)Cc1cc(N)ccc1Cl ZINC000035718384 172372465 /nfs/dbraw/zinc/37/24/65/172372465.db2.gz SOPAQFZIJYOMEO-UHFFFAOYSA-N 0 0 266.797 3.616 10 0 CHAERN COc1cc(Cl)c(OC)c2c(Cl)ccnc12 ZINC000035731060 172381044 /nfs/dbraw/zinc/38/10/44/172381044.db2.gz KLHBBKRDGFSLAP-UHFFFAOYSA-N 0 0 258.104 3.559 10 0 CHAERN C[C@H](Nc1nc2cc(Cl)ccc2s1)[C@H]1CCCO1 ZINC000035736373 172389232 /nfs/dbraw/zinc/38/92/32/172389232.db2.gz BMMWWJOBJMOULA-GZMMTYOYSA-N 0 0 282.796 3.929 10 0 CHAERN COC(=O)C[C@@H](C)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000035748850 172396272 /nfs/dbraw/zinc/39/62/72/172396272.db2.gz FSASGGNOKFEIQY-SSDOTTSWSA-N 0 0 295.688 3.722 10 0 CHAERN C[C@@H](CC(=O)[O-])[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000035752475 172396310 /nfs/dbraw/zinc/39/63/10/172396310.db2.gz FQVFBNGVMVRTRF-HNNXBMFYSA-N 0 0 283.371 3.552 10 0 CHAERN CCN(c1cccc(Cl)c1CO)C1CCCC1 ZINC000035772967 172408648 /nfs/dbraw/zinc/40/86/48/172408648.db2.gz WYRWISATCIBNNY-UHFFFAOYSA-N 0 0 253.773 3.601 10 0 CHAERN CN(Cc1ccc(F)cc1)c1ccc(Cl)cc1N ZINC000036131670 172453669 /nfs/dbraw/zinc/45/36/69/172453669.db2.gz GRZWAVPSVYMXBF-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN Nc1cc(Cl)ccc1N1CCC[C@H]1c1ccncc1 ZINC000036132380 172454194 /nfs/dbraw/zinc/45/41/94/172454194.db2.gz UCSAMDZQQZECDM-AWEZNQCLSA-N 0 0 273.767 3.659 10 0 CHAERN CCCCSc1ccc(N)c(OCC(C)C)n1 ZINC000036332809 172617251 /nfs/dbraw/zinc/61/72/51/172617251.db2.gz MSHVPJYQTKHUGA-UHFFFAOYSA-N 0 0 254.399 3.591 10 0 CHAERN CCc1cccc2ccn(Cc3ccccc3N)c21 ZINC000036722417 172659803 /nfs/dbraw/zinc/65/98/03/172659803.db2.gz JHTHPEGDGGRVDF-UHFFFAOYSA-N 0 0 250.345 3.834 10 0 CHAERN Cc1nn(C)c(N[C@@H](C)c2ccc(Cl)cc2Cl)c1N ZINC000036749012 172676173 /nfs/dbraw/zinc/67/61/73/172676173.db2.gz ZBLRARCAPWANKR-ZETCQYMHSA-N 0 0 299.205 3.791 10 0 CHAERN C[C@@H]1C[C@@H]1c1noc(N)c1-c1cccc(Br)c1 ZINC000036765993 172684674 /nfs/dbraw/zinc/68/46/74/172684674.db2.gz NYZOPIYSXUEXHP-XCBNKYQSSA-N 0 0 293.164 3.810 10 0 CHAERN Cc1n[nH]c(C)c1CNc1cccc2ccccc21 ZINC000036864487 172761763 /nfs/dbraw/zinc/76/17/63/172761763.db2.gz ICFVYROUIUSEBU-UHFFFAOYSA-N 0 0 251.333 3.792 10 0 CHAERN Cc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1C=O ZINC000036905272 172794671 /nfs/dbraw/zinc/79/46/71/172794671.db2.gz UWIKCQMQTJAUTH-UHFFFAOYSA-N 0 0 289.549 3.953 10 0 CHAERN COC(=O)c1cc(N[C@H](C)c2ccco2)ccc1Cl ZINC000036918975 172804341 /nfs/dbraw/zinc/80/43/41/172804341.db2.gz UUAFWRSQXIGQSS-SECBINFHSA-N 0 0 279.723 3.893 10 0 CHAERN C[C@@H]1C[C@H]1c1noc(N)c1-c1ccc(Br)cc1 ZINC000036936668 172815921 /nfs/dbraw/zinc/81/59/21/172815921.db2.gz JZXQCGVMRDWMHH-GMSGAONNSA-N 0 0 293.164 3.810 10 0 CHAERN CC(C)C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000036945925 172821466 /nfs/dbraw/zinc/82/14/66/172821466.db2.gz FIOCORHJRFSAGL-UHFFFAOYSA-N 0 0 266.138 3.769 10 0 CHAERN COC(=O)c1ccc(F)c(NCC2CCCCC2)c1 ZINC000036958973 172828457 /nfs/dbraw/zinc/82/84/57/172828457.db2.gz XPWHCYOHYWVKCG-UHFFFAOYSA-N 0 0 265.328 3.605 10 0 CHAERN Cc1cccn2cc(CSc3ccc(N)cc3)nc12 ZINC000037181875 173014628 /nfs/dbraw/zinc/01/46/28/173014628.db2.gz QLYZFQNSQNYKGU-UHFFFAOYSA-N 0 0 269.373 3.517 10 0 CHAERN Nc1cnccc1SCc1ccc(Cl)s1 ZINC000037190240 173019693 /nfs/dbraw/zinc/01/96/93/173019693.db2.gz FEOYRJMTQDGJLS-UHFFFAOYSA-N 0 0 256.783 3.671 10 0 CHAERN COc1ccc(CSc2ccc(N)cc2C)cc1 ZINC000037193943 173022819 /nfs/dbraw/zinc/02/28/19/173022819.db2.gz QCOIRXUVCZMOMZ-UHFFFAOYSA-N 0 0 259.374 3.878 10 0 CHAERN COc1ccc(CNc2ccc(F)c(F)c2)cc1C ZINC000037201744 173025582 /nfs/dbraw/zinc/02/55/82/173025582.db2.gz HIHBMYMBYJSCMB-UHFFFAOYSA-N 0 0 263.287 3.894 10 0 CHAERN Clc1ccc([C@H](NC[C@H]2CCCO2)c2ccco2)s1 ZINC000037215278 173035153 /nfs/dbraw/zinc/03/51/53/173035153.db2.gz XZLUKZKZPQGDRM-QMTHXVAHSA-N 0 0 297.807 3.853 10 0 CHAERN Clc1ccc([C@H](NC[C@@H]2CCCO2)c2ccco2)s1 ZINC000037215275 173035167 /nfs/dbraw/zinc/03/51/67/173035167.db2.gz XZLUKZKZPQGDRM-IINYFYTJSA-N 0 0 297.807 3.853 10 0 CHAERN CC(C)[C@H](Nc1cccc(C(N)=O)c1)c1cccs1 ZINC000037219750 173036612 /nfs/dbraw/zinc/03/66/12/173036612.db2.gz RUBAYLVFOFZADT-AWEZNQCLSA-N 0 0 274.389 3.656 10 0 CHAERN CC[C@H](Nc1ccccc1-c1nc(C)no1)C(C)C ZINC000037275216 173087638 /nfs/dbraw/zinc/08/76/38/173087638.db2.gz CDRPNIAJNIFMKI-ZDUSSCGKSA-N 0 0 259.353 3.892 10 0 CHAERN COC(=O)c1ccccc1NC[C@@H](C)c1ccccc1 ZINC000037308201 173110922 /nfs/dbraw/zinc/11/09/22/173110922.db2.gz VLBGEFPGGZRUFR-CYBMUJFWSA-N 0 0 269.344 3.689 10 0 CHAERN CCC1CCC(Nc2ccccc2C(=O)OC)CC1 ZINC000037308325 173110969 /nfs/dbraw/zinc/11/09/69/173110969.db2.gz JYLXEOATCXIFSF-UHFFFAOYSA-N 0 0 261.365 3.854 10 0 CHAERN CCOC(=O)c1ccccc1N[C@@H]1CCCC[C@H]1C ZINC000037308447 173111041 /nfs/dbraw/zinc/11/10/41/173111041.db2.gz CCKJIPZPCBXUAC-TZMCWYRMSA-N 0 0 261.365 3.854 10 0 CHAERN COC(=O)c1ccccc1NC[C@H](C)c1ccccc1 ZINC000037308200 173111181 /nfs/dbraw/zinc/11/11/81/173111181.db2.gz VLBGEFPGGZRUFR-ZDUSSCGKSA-N 0 0 269.344 3.689 10 0 CHAERN CN(C)c1ccc(Cl)cc1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037316285 173117606 /nfs/dbraw/zinc/11/76/06/173117606.db2.gz IFRQREAPYCOOFJ-WCFLWFBJSA-N 0 0 262.784 3.783 10 0 CHAERN Cn1c2ccccc2nc1-c1ccc2c(c1)CCCN2 ZINC000037323521 173123895 /nfs/dbraw/zinc/12/38/95/173123895.db2.gz PWXHVIZBAGNGSE-UHFFFAOYSA-N 0 0 263.344 3.598 10 0 CHAERN Oc1ccc(CC[C@@H]2CCc3ccccc3N2)cc1 ZINC000037328203 173128626 /nfs/dbraw/zinc/12/86/26/173128626.db2.gz PCUHIVYITCMSMQ-OAHLLOKOSA-N 0 0 253.345 3.752 10 0 CHAERN Cc1ccccc1-c1c(N)n(C)nc1CC(C)(C)C ZINC000037351259 173144907 /nfs/dbraw/zinc/14/49/07/173144907.db2.gz IAQMBQUWSQRRDJ-UHFFFAOYSA-N 0 0 257.381 3.566 10 0 CHAERN CCCCCc1nn(C)c(N)c1-c1ccc(F)cc1 ZINC000037351674 173145505 /nfs/dbraw/zinc/14/55/05/173145505.db2.gz YVHWDYWUQJYURF-UHFFFAOYSA-N 0 0 261.344 3.541 10 0 CHAERN O=C(c1ccc2c(c1)CCO2)c1c(F)cccc1Cl ZINC000037358689 173148313 /nfs/dbraw/zinc/14/83/13/173148313.db2.gz CXWFPGISMLMTBS-UHFFFAOYSA-N 0 0 276.694 3.645 10 0 CHAERN COc1ccc(C(=O)Cc2ccccc2)cc1Cl ZINC000037362750 173151644 /nfs/dbraw/zinc/15/16/44/173151644.db2.gz OVZPYQWKTKNQGZ-UHFFFAOYSA-N 0 0 260.720 3.774 10 0 CHAERN COc1ccc(COCc2cc(N)ccc2Cl)cc1 ZINC000037403447 173179510 /nfs/dbraw/zinc/17/95/10/173179510.db2.gz RAXMEOQRZTZNLS-UHFFFAOYSA-N 0 0 277.751 3.648 10 0 CHAERN Nc1ccc(Cl)c(COc2ccc3c(c2)CCC3)c1 ZINC000037403453 173179691 /nfs/dbraw/zinc/17/96/91/173179691.db2.gz BNPXVQYZIBFASB-UHFFFAOYSA-N 0 0 273.763 3.990 10 0 CHAERN CCn1c2ccc(F)cc2nc1-c1ccc(C)c(N)c1 ZINC000037439499 173209693 /nfs/dbraw/zinc/20/96/93/173209693.db2.gz RVMZBHGLZSOBNE-UHFFFAOYSA-N 0 0 269.323 3.753 10 0 CHAERN CCCN[C@@H](C(=O)OCC)c1ccc(Cl)cc1Cl ZINC000037513746 173244886 /nfs/dbraw/zinc/24/48/86/173244886.db2.gz YOYOZGDFUAKBNK-GFCCVEGCSA-N 0 0 290.190 3.597 10 0 CHAERN C[C@@H]1CC(C)(C)C[C@](O)(Cc2ccccc2F)C1 ZINC000037529917 173252729 /nfs/dbraw/zinc/25/27/29/173252729.db2.gz VJIHMLHHBOPYOA-MLGOLLRUSA-N 0 0 250.357 3.946 10 0 CHAERN C[C@](O)(Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000037530787 173253053 /nfs/dbraw/zinc/25/30/53/173253053.db2.gz FJXFINHBRUGAEL-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN COc1cccc([C@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532131 173253245 /nfs/dbraw/zinc/25/32/45/173253245.db2.gz UJFAKWBPOFZYOR-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000037532266 173253896 /nfs/dbraw/zinc/25/38/96/173253896.db2.gz JGYFTPQZNTXUSA-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN COc1ccc([C@H](O)c2ccc(C(C)C)cc2)cc1 ZINC000037532429 173253978 /nfs/dbraw/zinc/25/39/78/173253978.db2.gz DKPPNLYNCJJCQJ-QGZVFWFLSA-N 0 0 256.345 3.900 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000037532244 173254008 /nfs/dbraw/zinc/25/40/08/173254008.db2.gz SYCNXPSYZKQJPM-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN O[C@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000037532528 173254034 /nfs/dbraw/zinc/25/40/34/173254034.db2.gz AAIQBWHNFALVJD-OAHLLOKOSA-N 0 0 291.188 3.595 10 0 CHAERN Cn1ccc(N[C@H]2CCCC[C@H]2c2ccccc2)n1 ZINC000037560748 173271102 /nfs/dbraw/zinc/27/11/02/173271102.db2.gz OWHLQCQCZWNNTG-GJZGRUSLSA-N 0 0 255.365 3.558 10 0 CHAERN c1ccc(NCCCc2nc3ccccc3o2)cc1 ZINC000037606394 173554379 /nfs/dbraw/zinc/55/43/79/173554379.db2.gz RGDWJSMKOIMHHV-UHFFFAOYSA-N 0 0 252.317 3.873 10 0 CHAERN COc1cc(C)ccc1N[C@@H](C)c1ccc(O)cc1 ZINC000037783127 173714368 /nfs/dbraw/zinc/71/43/68/173714368.db2.gz PBNKWHFQPZALDG-LBPRGKRZSA-N 0 0 257.333 3.882 10 0 CHAERN CC[C@H]1CCCN1c1ccc(N)cc1C(F)(F)F ZINC000037913046 173847042 /nfs/dbraw/zinc/84/70/42/173847042.db2.gz DQUYOUPDKQPVFC-JTQLQIEISA-N 0 0 258.287 3.666 10 0 CHAERN COC(=O)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000037954092 173896280 /nfs/dbraw/zinc/89/62/80/173896280.db2.gz AAUKJQGXMDWVJQ-AWEZNQCLSA-N 0 0 275.735 3.666 10 0 CHAERN COC(=O)[C@]1(Nc2cccc(Cl)c2)CCCC[C@H]1C ZINC000037955571 173897205 /nfs/dbraw/zinc/89/72/05/173897205.db2.gz KSYZTAHHTAGAMN-ABAIWWIYSA-N 0 0 281.783 3.874 10 0 CHAERN CCOC(=O)[C@](C)(CC(C)C)Nc1cccc(C)c1 ZINC000037958242 173900262 /nfs/dbraw/zinc/90/02/62/173900262.db2.gz YCYIQEYCWIKKCO-INIZCTEOSA-N 0 0 263.381 3.775 10 0 CHAERN CCOC(=O)[C@@](C)(NC1CCCCC1)c1ccccc1F ZINC000037972164 173924863 /nfs/dbraw/zinc/92/48/63/173924863.db2.gz HZHKPMSPYBRWRO-KRWDZBQOSA-N 0 0 293.382 3.526 10 0 CHAERN C[C@@H](Nc1ccc(SC(F)F)cc1)c1cc[nH]n1 ZINC000038000034 173962184 /nfs/dbraw/zinc/96/21/84/173962184.db2.gz QEJGOHRTTTYNGD-MRVPVSSYSA-N 0 0 269.320 3.898 10 0 CHAERN C[C@@H]1CCCN1CC(=O)c1cc(Cl)ccc1Cl ZINC000038000081 173962226 /nfs/dbraw/zinc/96/22/26/173962226.db2.gz YSYBFYSAORAEQY-SECBINFHSA-N 0 0 272.175 3.660 10 0 CHAERN CCc1c(C)nc(-c2cccc(OC)c2OC)nc1Cl ZINC000038004081 173966163 /nfs/dbraw/zinc/96/61/63/173966163.db2.gz XUZRLJATTAKXFD-UHFFFAOYSA-N 0 0 292.766 3.685 10 0 CHAERN CCc1c(C)nc2cc(OC)c(OC)c(OC)c2c1Cl ZINC000038004125 173966251 /nfs/dbraw/zinc/96/62/51/173966251.db2.gz CXTOFIGPWXVJKZ-UHFFFAOYSA-N 0 0 295.766 3.785 10 0 CHAERN C[C@H](c1cc(F)ccc1F)N1CCc2c(N)cccc2C1 ZINC000038032453 174028691 /nfs/dbraw/zinc/02/86/91/174028691.db2.gz NIWBAVMAVFOULD-LLVKDONJSA-N 0 0 288.341 3.666 10 0 CHAERN C[C@H](c1c(F)cccc1F)N1CCc2c(N)cccc2C1 ZINC000038032644 174028824 /nfs/dbraw/zinc/02/88/24/174028824.db2.gz CNDMXSQLZPUGBR-LLVKDONJSA-N 0 0 288.341 3.666 10 0 CHAERN CC[C@H](C)N[C@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067029 174078528 /nfs/dbraw/zinc/07/85/28/174078528.db2.gz UMEKYCFCHRICDJ-NHYWBVRUSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@@H](C)N[C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000038067198 174079464 /nfs/dbraw/zinc/07/94/64/174079464.db2.gz IYBBUJKNQXJJQR-PELKAZGASA-N 0 0 290.190 3.596 10 0 CHAERN O=Cc1cc(-c2ccc3c(c2)CCCO3)ccc1F ZINC000038071984 174082785 /nfs/dbraw/zinc/08/27/85/174082785.db2.gz YBEDVYXQZJCGIN-UHFFFAOYSA-N 0 0 256.276 3.630 10 0 CHAERN C[C@H](Nc1nc2ccccc2o1)c1cccc(N)c1 ZINC000038074702 174084805 /nfs/dbraw/zinc/08/48/05/174084805.db2.gz XVMAKTFSEBMCTJ-JTQLQIEISA-N 0 0 253.305 3.583 10 0 CHAERN COC(=O)C(=O)[C@H](C)c1ccc(C2CCCCC2)cc1 ZINC000039193582 174164957 /nfs/dbraw/zinc/16/49/57/174164957.db2.gz JUDQQACKEFFYIQ-GFCCVEGCSA-N 0 0 274.360 3.580 10 0 CHAERN O=NN1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12 ZINC000039214204 174166377 /nfs/dbraw/zinc/16/63/77/174166377.db2.gz NNJRHUFLMMOXCG-QGZVFWFLSA-N 0 0 294.354 3.779 10 0 CHAERN S=c1[nH]nc(Cc2ccccc2)c2ccccc21 ZINC000040176274 174201501 /nfs/dbraw/zinc/20/15/01/174201501.db2.gz HTUQDSANLPISNW-UHFFFAOYSA-N 0 0 252.342 3.883 10 0 CHAERN CCCNC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000040179094 174202849 /nfs/dbraw/zinc/20/28/49/174202849.db2.gz OAYDUHQYCCPWRY-UHFFFAOYSA-N 0 0 269.344 3.927 10 0 CHAERN COc1ccc([C@H](O)c2cccs2)c2ccccc12 ZINC000040242984 174213623 /nfs/dbraw/zinc/21/36/23/174213623.db2.gz IONFLUKQMIMBKZ-INIZCTEOSA-N 0 0 270.353 3.992 10 0 CHAERN O[C@@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000040243716 174214418 /nfs/dbraw/zinc/21/44/18/174214418.db2.gz HTDFXEFSHBUGEA-ZDUSSCGKSA-N 0 0 254.663 3.700 10 0 CHAERN Cc1cccc(Cn2c3cc(C)c(C)cc3nc2CCO)c1 ZINC000040310676 174230129 /nfs/dbraw/zinc/23/01/29/174230129.db2.gz SHXFBGPFSSXOGU-UHFFFAOYSA-N 0 0 294.398 3.545 10 0 CHAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1cccs1 ZINC000040354816 174245430 /nfs/dbraw/zinc/24/54/30/174245430.db2.gz MLJXBUQRMRDDIM-GFCCVEGCSA-N 0 0 275.373 3.679 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C)cc2N)cc1 ZINC000040354271 174245447 /nfs/dbraw/zinc/24/54/47/174245447.db2.gz HBYGEVMRRVIXJY-CYBMUJFWSA-N 0 0 269.344 3.536 10 0 CHAERN Cc1c(Cl)ccc2c(NC(=O)C(C)C)ccnc12 ZINC000040359209 174246178 /nfs/dbraw/zinc/24/61/78/174246178.db2.gz AYVRCRYDGSRUCY-UHFFFAOYSA-N 0 0 262.740 3.791 10 0 CHAERN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1n[nH]c(=S)[nH]1 ZINC000040541893 174322967 /nfs/dbraw/zinc/32/29/67/174322967.db2.gz FUERWRKUCNGWOI-INEUFUBQSA-N 0 0 264.181 3.526 10 0 CHAERN CCc1ccccc1Nc1ncnc(NC(C)(C)C)c1N ZINC000040680375 174374595 /nfs/dbraw/zinc/37/45/95/174374595.db2.gz ZEBOKLGPEGCLHU-UHFFFAOYSA-N 0 0 285.395 3.575 10 0 CHAERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2N)c(C)c1 ZINC000040680519 174374631 /nfs/dbraw/zinc/37/46/31/174374631.db2.gz QILHHFDTMRJZMW-UHFFFAOYSA-N 0 0 285.395 3.630 10 0 CHAERN CCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1C ZINC000040889901 174428715 /nfs/dbraw/zinc/42/87/15/174428715.db2.gz JRBDWVJITNCJRJ-UHFFFAOYSA-N 0 0 268.312 3.541 10 0 CHAERN CCCCOC(=O)c1cccc(NC(=O)CC(C)C)c1 ZINC000040946631 174437804 /nfs/dbraw/zinc/43/78/04/174437804.db2.gz VGRKOSBDKYBYDW-UHFFFAOYSA-N 0 0 277.364 3.628 10 0 CHAERN Nc1cccc(C(=O)c2cc(Cl)ccc2Cl)c1 ZINC000041144204 174495307 /nfs/dbraw/zinc/49/53/07/174495307.db2.gz ZORHXVJERACHPU-UHFFFAOYSA-N 0 0 266.127 3.807 10 0 CHAERN Cc1csc([C@@H](N)c2cccc(C(F)(F)F)c2)n1 ZINC000041182052 174506101 /nfs/dbraw/zinc/50/61/01/174506101.db2.gz NUEBKCONOPJPPF-JTQLQIEISA-N 0 0 272.295 3.518 10 0 CHAERN O[C@@H](Cc1ccccc1Cl)c1ccccc1F ZINC000041307733 174516630 /nfs/dbraw/zinc/51/66/30/174516630.db2.gz HHRWELFECVEEJY-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN CC(C)c1ccc([C@H](O)c2ccc(N(C)C)cc2)cc1 ZINC000041390156 174544625 /nfs/dbraw/zinc/54/46/25/174544625.db2.gz MEJWJPTUPPMCHE-SFHVURJKSA-N 0 0 269.388 3.958 10 0 CHAERN CCOc1ccc(C(=O)c2ccc(N)c(Cl)c2)cc1 ZINC000041413988 174549625 /nfs/dbraw/zinc/54/96/25/174549625.db2.gz XYUAVVNMUOEUGN-UHFFFAOYSA-N 0 0 275.735 3.552 10 0 CHAERN Nc1c(Br)cnc2cc(Cl)cc(Cl)c12 ZINC000041702367 174608342 /nfs/dbraw/zinc/60/83/42/174608342.db2.gz WYMGAJRFDPDQCY-UHFFFAOYSA-N 0 0 291.963 3.886 10 0 CHAERN Cc1ccc2ncc(Cl)c(Br)c2c1 ZINC000041702567 174608439 /nfs/dbraw/zinc/60/84/39/174608439.db2.gz YGNIPDBEUKAENI-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CCc1ccc(C(=O)CN(CC(C)C)C2CC2)s1 ZINC000042558600 174794683 /nfs/dbraw/zinc/79/46/83/174794683.db2.gz HBQRGYJGRPUROY-UHFFFAOYSA-N 0 0 265.422 3.614 10 0 CHAERN CC(C)N(CC1CC1)c1cccc(F)c1[C@@H](C)O ZINC000042586277 174808449 /nfs/dbraw/zinc/80/84/49/174808449.db2.gz OVFNFZCSPXCGGG-LLVKDONJSA-N 0 0 251.345 3.504 10 0 CHAERN C[C@H]1CCCC[C@H]1CNc1ccccc1C(N)=S ZINC000042869093 174896329 /nfs/dbraw/zinc/89/63/29/174896329.db2.gz MVJSWIGPIWORFR-RYUDHWBXSA-N 0 0 262.422 3.559 10 0 CHAERN Clc1cc2nnc(-c3csc4ccccc34)n2cn1 ZINC000042891726 174902601 /nfs/dbraw/zinc/90/26/01/174902601.db2.gz WCBRMIYXGJNTJD-UHFFFAOYSA-N 0 0 286.747 3.659 10 0 CHAERN O[C@H]1C[C@@H](C(F)(F)F)Oc2ccc3ccccc3c21 ZINC000043465018 175052398 /nfs/dbraw/zinc/05/23/98/175052398.db2.gz OJJMISFUSJADKJ-JQWIXIFHSA-N 0 0 268.234 3.587 10 0 CHAERN CC(C)(C)C(=O)C1=C(O)CC[C@@H](c2ccccc2)C1 ZINC000043651802 175085305 /nfs/dbraw/zinc/08/53/05/175085305.db2.gz LZAOMFQNAWJGIW-KGLIPLIRSA-N 0 0 258.361 3.755 10 0 CHAERN CC[C@@H](CCOc1ccc(Br)cc1)[C@@H](C)O ZINC000043657226 175085886 /nfs/dbraw/zinc/08/58/86/175085886.db2.gz WISSJHAYUAHHSI-MNOVXSKESA-N 0 0 287.197 3.625 10 0 CHAERN Cc1ccc(N)cc1OCc1sccc1Br ZINC000043674200 175088001 /nfs/dbraw/zinc/08/80/01/175088001.db2.gz XGXGOZOPDMUCJE-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Brc1ccsc1COCc1ccco1 ZINC000043679152 175089813 /nfs/dbraw/zinc/08/98/13/175089813.db2.gz FJNSFVUMHPVGGE-UHFFFAOYSA-N 0 0 273.151 3.820 10 0 CHAERN Brc1ccc(COC2CCCC2)s1 ZINC000043679129 175089882 /nfs/dbraw/zinc/08/98/82/175089882.db2.gz XUZBHAPRJXEREM-UHFFFAOYSA-N 0 0 261.184 3.970 10 0 CHAERN Cc1ccc(N)c(OCc2cc(Br)cs2)c1 ZINC000043686603 175094449 /nfs/dbraw/zinc/09/44/49/175094449.db2.gz IMZZNBSPBYYQIX-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Cc1nn(Cc2cc(Br)cs2)c(C)c1C ZINC000043687468 175094979 /nfs/dbraw/zinc/09/49/79/175094979.db2.gz IIVPAWOOMFPFKJ-UHFFFAOYSA-N 0 0 285.210 3.681 10 0 CHAERN COc1cc2c(cc1Cl)CCN(C)[C@@H]2c1ccccc1 ZINC000045286525 175354031 /nfs/dbraw/zinc/35/40/31/175354031.db2.gz VPOGKOASTNUXEU-QGZVFWFLSA-N 0 0 287.790 3.926 10 0 CHAERN CC(=O)[C@](O)(c1ccc(-c2ccccc2)cc1)C(F)(F)F ZINC000069476388 175832339 /nfs/dbraw/zinc/83/23/39/175832339.db2.gz QUNGXIWLISPCBA-HNNXBMFYSA-N 0 0 294.272 3.693 10 0 CHAERN Cc1c(C)c(Oc2cc(F)ccc2F)nnc1Cl ZINC000071170945 176051478 /nfs/dbraw/zinc/05/14/78/176051478.db2.gz XNNUZHXQQBWTAE-UHFFFAOYSA-N 0 0 270.666 3.817 10 0 CHAERN Cc1cccc(N(C)c2nnc(Cl)c(C)c2C)c1 ZINC000071187028 176060162 /nfs/dbraw/zinc/06/01/62/176060162.db2.gz OAHGYJMVJRMQKZ-UHFFFAOYSA-N 0 0 261.756 3.823 10 0 CHAERN Cc1c(Cl)nnc(N(C)[C@@H](C)CC(C)C)c1C ZINC000071186914 176060236 /nfs/dbraw/zinc/06/02/36/176060236.db2.gz BMLOLKFKZJMEJJ-VIFPVBQESA-N 0 0 255.793 3.618 10 0 CHAERN Cc1cccnc1CN[C@H](C)c1cc(F)ccc1F ZINC000071339340 176129948 /nfs/dbraw/zinc/12/99/48/176129948.db2.gz MBQMCBMEYFLQOH-LLVKDONJSA-N 0 0 262.303 3.519 10 0 CHAERN Cc1ccc(C(=O)C(C)(C)Br)cc1C ZINC000071423406 176160798 /nfs/dbraw/zinc/16/07/98/176160798.db2.gz KZFITAJZGVHECY-UHFFFAOYSA-N 0 0 255.155 3.660 10 0 CHAERN O=C1CCC(c2cccc(Br)c2)CC1 ZINC000071574525 176201388 /nfs/dbraw/zinc/20/13/88/176201388.db2.gz CIOHXOOJOLOCCC-UHFFFAOYSA-N 0 0 253.139 3.676 10 0 CHAERN OCCOc1ccc(-c2cc(=S)ss2)cc1 ZINC000072112758 176317573 /nfs/dbraw/zinc/31/75/73/176317573.db2.gz LRBKRDZZZQQHNF-UHFFFAOYSA-N 0 0 270.400 3.577 10 0 CHAERN Fc1ccccc1-c1scnc1Br ZINC000072192330 176336740 /nfs/dbraw/zinc/33/67/40/176336740.db2.gz DVBPEHQSJUMTEN-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN CCCc1cnc(Br)cc1Br ZINC000072192698 176336765 /nfs/dbraw/zinc/33/67/65/176336765.db2.gz PRKNAWLAGVIIEA-UHFFFAOYSA-N 0 0 278.975 3.559 10 0 CHAERN CC(C)(C)c1cc(Br)c(Br)cn1 ZINC000072193327 176336778 /nfs/dbraw/zinc/33/67/78/176336778.db2.gz KSWFSERUGNLRHJ-UHFFFAOYSA-N 0 0 293.002 3.904 10 0 CHAERN N[C@@H](c1ccc(Cl)cc1Br)C(F)(F)F ZINC000072195868 176338235 /nfs/dbraw/zinc/33/82/35/176338235.db2.gz SSLSGQDVMYQGNJ-ZETCQYMHSA-N 0 0 288.494 3.665 10 0 CHAERN COc1ccc2c(c1)NC(=O)CC(/C=C/c1ccccc1)=N2 ZINC000072236422 176345900 /nfs/dbraw/zinc/34/59/00/176345900.db2.gz PAIBUOIIMPVNKU-BQYQJAHWSA-N 0 0 292.338 3.823 10 0 CHAERN CC(C)(C)OC(=O)Nc1ccc2ncsc2c1 ZINC000075838434 176801997 /nfs/dbraw/zinc/80/19/97/176801997.db2.gz VMNLVFZTBRRMNV-UHFFFAOYSA-N 0 0 250.323 3.643 10 0 CHAERN CNc1cccc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000075907393 176821993 /nfs/dbraw/zinc/82/19/93/176821993.db2.gz STHZRJSTYMENDG-CQSZACIVSA-N 0 0 290.407 3.843 10 0 CHAERN CC(=O)c1cc2c(o1)c(Br)ccc2F ZINC000075926884 176830321 /nfs/dbraw/zinc/83/03/21/176830321.db2.gz XNZUFIACZMKRNE-UHFFFAOYSA-N 0 0 257.058 3.537 10 0 CHAERN CCCN1C(=S)N=NC1c1cc2cc(C)ccc2o1 ZINC000077069990 177185331 /nfs/dbraw/zinc/18/53/31/177185331.db2.gz VZAZNTWBEFWQBG-UHFFFAOYSA-N 0 0 273.361 3.698 10 0 CHAERN CC[C@H](CCCCO[C@H]1CCCCO1)C(=O)OC(C)C ZINC000077292410 177249847 /nfs/dbraw/zinc/24/98/47/177249847.db2.gz RICKYRZOKCFSNA-HUUCEWRRSA-N 0 0 286.412 3.678 10 0 in-vitro CHAERN COc1cc(C)ccc1-c1nc(C)c(C(C)=O)s1 ZINC000077587762 177282991 /nfs/dbraw/zinc/28/29/91/177282991.db2.gz JNQBIFHVJRDTSC-UHFFFAOYSA-N 0 0 261.346 3.638 10 0 CHAERN FC1(F)CCCC[C@H]1c1nc([C@@H]2CCCS2)no1 ZINC000334667692 225238517 /nfs/dbraw/zinc/23/85/17/225238517.db2.gz MTCNZATVONXJER-IUCAKERBSA-N 0 0 274.336 3.931 10 0 CHAERN FC1(F)CCC[C@H](c2nc([C@@H]3CC34CC4)no2)C1 ZINC000334978178 225382483 /nfs/dbraw/zinc/38/24/83/225382483.db2.gz ZBGHTRCJHMYZNH-IUCAKERBSA-N 0 0 254.280 3.630 10 0 CHAERN O=C(NCCC1CCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171738694 335076633 /nfs/dbraw/zinc/07/66/33/335076633.db2.gz HTYONANMAJGVRC-KBPBESRZSA-N 0 0 293.357 3.765 10 0 CHAERN CCc1sc([C@@H](C)Nc2nccc(OC)n2)cc1C ZINC000301783397 227676502 /nfs/dbraw/zinc/67/65/02/227676502.db2.gz UKTRREFZBNLVHS-SNVBAGLBSA-N 0 0 277.393 3.591 10 0 CHAERN Cn1cc(Oc2cc(C(C)(C)C)nc(C(C)(C)C)n2)cn1 ZINC000302263419 227835278 /nfs/dbraw/zinc/83/52/78/227835278.db2.gz DWTGCBMKBFOBPK-UHFFFAOYSA-N 0 0 288.395 3.597 10 0 CHAERN Clc1ccc([C@H]2C[C@@H]2Nc2ncncc2Cl)cc1 ZINC000302665273 227873491 /nfs/dbraw/zinc/87/34/91/227873491.db2.gz PXCYVCPSRTXXSQ-PWSUYJOCSA-N 0 0 280.158 3.751 10 0 CHAERN CCCCOC[C@H](O)CSCc1ccccc1Cl ZINC000227909966 260051757 /nfs/dbraw/zinc/05/17/57/260051757.db2.gz YWPJAKLCCQJKKT-ZDUSSCGKSA-N 0 0 288.840 3.751 10 0 CHAERN COCCn1cc(N[C@@H](CC(C)C)c2ccccc2)cn1 ZINC000037090463 260067320 /nfs/dbraw/zinc/06/73/20/260067320.db2.gz YNIWVGXKMGOJEE-KRWDZBQOSA-N 0 0 287.407 3.729 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC(C)(C)C1 ZINC000180455793 260102848 /nfs/dbraw/zinc/10/28/48/260102848.db2.gz XRVZIQMMOPIZBC-YIDVYQOGSA-N 0 0 293.451 3.523 10 0 CHAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1cccnc1 ZINC000037779497 260116981 /nfs/dbraw/zinc/11/69/81/260116981.db2.gz WXWUJVLDSKLDGU-GFCCVEGCSA-N 0 0 265.316 3.910 10 0 CHAERN CO[C@H](C)c1nsc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000312511423 260136380 /nfs/dbraw/zinc/13/63/80/260136380.db2.gz LVBLEJUTTGOYFD-VHSXEESVSA-N 0 0 295.383 3.866 10 0 CHAERN Cc1sc2nc(C)nc(N[C@@H](C)[C@H]3CCCO3)c2c1C ZINC000312552097 260148050 /nfs/dbraw/zinc/14/80/50/260148050.db2.gz XMHWANYGWNNWBS-JOYOIKCWSA-N 0 0 291.420 3.596 10 0 CHAERN COc1cccc(CNc2ccccc2C(C)C)n1 ZINC000070093158 260152137 /nfs/dbraw/zinc/15/21/37/260152137.db2.gz DSFFCAXZMBWRRT-UHFFFAOYSA-N 0 0 256.349 3.826 10 0 CHAERN CO[C@H](C)c1nsc(NCc2ccsc2Cl)n1 ZINC000312770767 260199745 /nfs/dbraw/zinc/19/97/45/260199745.db2.gz XTJZBSXEYNMNIS-ZCFIWIBFSA-N 0 0 289.813 3.573 10 0 CHAERN COc1ccc(NC(C)=O)cc1NCC1CCC(C)CC1 ZINC000089575969 260237810 /nfs/dbraw/zinc/23/78/10/260237810.db2.gz VXCMAWBQDLJQJT-UHFFFAOYSA-N 0 0 290.407 3.892 10 0 CHAERN CC1CCC(CNc2cccc(C(=O)N(C)C)c2)CC1 ZINC000089576016 260237879 /nfs/dbraw/zinc/23/78/79/260237879.db2.gz YXLNHLSQMRYBTM-UHFFFAOYSA-N 0 0 274.408 3.627 10 0 CHAERN CCCn1ccc(CNc2ccc(C)c(NC(C)=O)c2)c1 ZINC000091011744 260264514 /nfs/dbraw/zinc/26/45/14/260264514.db2.gz NHMHHQAOTMUTPO-UHFFFAOYSA-N 0 0 285.391 3.777 10 0 CHAERN CCn1cccc1CNc1ccc2oc(C)nc2c1 ZINC000091023003 260265113 /nfs/dbraw/zinc/26/51/13/260265113.db2.gz IOBCNDRHLHHVRC-UHFFFAOYSA-N 0 0 255.321 3.570 10 0 CHAERN COc1ccc(CNc2nc3ccc(C)cc3s2)cn1 ZINC000091938354 260266825 /nfs/dbraw/zinc/26/68/25/260266825.db2.gz PXTBNGKPPKJDIY-UHFFFAOYSA-N 0 0 285.372 3.620 10 0 CHAERN Cc1cc(CN[C@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000211744890 260309862 /nfs/dbraw/zinc/30/98/62/260309862.db2.gz KOYZWFBJRCVYOW-BZNIZROVSA-N 0 0 256.349 3.711 10 0 CHAERN Cc1cc2cc(NC(=O)C3C[C@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000093943358 260340504 /nfs/dbraw/zinc/34/05/04/260340504.db2.gz DXZZJPHNDPNAQI-RYUDHWBXSA-N 0 0 286.375 3.618 10 0 CHAERN CCn1ccnc1CSC/C=C/c1ccccc1 ZINC000083631759 260353985 /nfs/dbraw/zinc/35/39/85/260353985.db2.gz AMGZEECNOOXYNU-RMKNXTFCSA-N 0 0 258.390 3.850 10 0 CHAERN COCc1cccc(N[C@H](C)Cc2ccc(O)cc2)c1 ZINC000126609088 260355903 /nfs/dbraw/zinc/35/59/03/260355903.db2.gz ZHKCQFMGJLKLMT-CYBMUJFWSA-N 0 0 271.360 3.582 10 0 CHAERN CSc1cc(C(=O)N[C@H]2C[C@@H]2C)c(Cl)cc1Cl ZINC000154051946 261087353 /nfs/dbraw/zinc/08/73/53/261087353.db2.gz FGGREKNTBGTPKN-WKEGUHRASA-N 0 0 290.215 3.854 10 0 CHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1Cc2ccccc2C1 ZINC000154675258 261093990 /nfs/dbraw/zinc/09/39/90/261093990.db2.gz BWHWIIJTGISQMA-DLBZAZTESA-N 0 0 269.388 3.745 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2F)o1 ZINC000156108370 261113742 /nfs/dbraw/zinc/11/37/42/261113742.db2.gz IXFVYKFVHWRTEZ-DGCLKSJQSA-N 0 0 289.350 3.783 10 0 CHAERN CCn1ccnc1CSCc1cc(-c2ccco2)on1 ZINC000175295241 261216734 /nfs/dbraw/zinc/21/67/34/261216734.db2.gz ZBCKEWIWJJAQIC-UHFFFAOYSA-N 0 0 289.360 3.584 10 0 CHAERN FC(F)(F)CCCCNc1nc2ccccc2[nH]1 ZINC000149635082 261265909 /nfs/dbraw/zinc/26/59/09/261265909.db2.gz IQFBPJAVPNNGAH-UHFFFAOYSA-N 0 0 257.259 3.707 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCCC2(C)C)o1 ZINC000176432554 261285621 /nfs/dbraw/zinc/28/56/21/261285621.db2.gz AWXXJSOVMZMESA-YPMHNXCESA-N 0 0 264.369 3.527 10 0 CHAERN Cc1ccc(Cl)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606264 261313351 /nfs/dbraw/zinc/31/33/51/261313351.db2.gz STHWOVBHELHMSQ-UHFFFAOYSA-N 0 0 289.722 3.904 10 0 CHAERN CCC[C@H]1C[C@H]1Nc1nc(C(F)(F)F)cs1 ZINC000301755394 261341025 /nfs/dbraw/zinc/34/10/25/261341025.db2.gz KKMFTPNONHEYTL-NKWVEPMBSA-N 0 0 250.289 3.762 10 0 CHAERN Cc1ccc([C@H](C)NCc2cnc(Cl)s2)o1 ZINC000182585966 261451127 /nfs/dbraw/zinc/45/11/27/261451127.db2.gz YLGBGBNOYLPSIC-QMMMGPOBSA-N 0 0 256.758 3.549 10 0 CHAERN CCn1ccnc1CSCc1cc(C)ccc1C ZINC000106588708 261855242 /nfs/dbraw/zinc/85/52/42/261855242.db2.gz CDEMFLAALVGRPZ-UHFFFAOYSA-N 0 0 260.406 3.953 10 0 CHAERN CCCn1c(C)nnc1CN[C@@H](C)c1cccc(Cl)c1 ZINC000181422708 261896949 /nfs/dbraw/zinc/89/69/49/261896949.db2.gz PMFGJGRBAWACDJ-NSHDSACASA-N 0 0 292.814 3.501 10 0 CHAERN COc1ccc(NC(=O)N[C@H](C)C(C)C)cc1OC(C)C ZINC000184190903 262012157 /nfs/dbraw/zinc/01/21/57/262012157.db2.gz ZSONWMQARFPNLA-GFCCVEGCSA-N 0 0 294.395 3.648 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(CC)cc2)C12CCOCC2 ZINC000186447315 262094038 /nfs/dbraw/zinc/09/40/38/262094038.db2.gz ATCTZLKTPSFGEY-IAGOWNOFSA-N 0 0 289.419 3.635 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000186553476 262098859 /nfs/dbraw/zinc/09/88/59/262098859.db2.gz IABRXIQUBSLGOZ-IOASZLSFSA-N 0 0 292.448 3.879 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)NC2CCCCC2)cs1 ZINC000186735814 262107949 /nfs/dbraw/zinc/10/79/49/262107949.db2.gz OMYYEEILCSBSEB-AWEZNQCLSA-N 0 0 293.436 3.631 10 0 CHAERN Clc1ccc2c(c1)N[C@H]1SC=C3C=CC=C[C@H]3N21 ZINC000498049484 262218495 /nfs/dbraw/zinc/21/84/95/262218495.db2.gz WCIGKVLMDLDGSI-TZMCWYRMSA-N 0 0 274.776 3.981 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(F)cc1F ZINC000054107599 262254142 /nfs/dbraw/zinc/25/41/42/262254142.db2.gz HPCFCABKXAVAIC-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CC[C@@H](C)[C@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270132 262342485 /nfs/dbraw/zinc/34/24/85/262342485.db2.gz SHYLWSXMDOETQW-LJVYNOFUSA-N 0 0 289.423 3.583 10 0 CHAERN CC(C)(C)[C@@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270151 262342510 /nfs/dbraw/zinc/34/25/10/262342510.db2.gz QZBFKIMYTMLBCT-RQYMUSGFSA-N 0 0 289.423 3.583 10 0 CHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000055274568 262344293 /nfs/dbraw/zinc/34/42/93/262344293.db2.gz OQTRPOVHSBAOLV-NEPJUHHUSA-N 0 0 271.282 3.538 10 0 CHAERN Cc1nccnc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000188389440 263796106 /nfs/dbraw/zinc/79/61/06/263796106.db2.gz UWSDFPRJQXKQBA-SNVBAGLBSA-N 0 0 281.281 3.977 10 0 CHAERN C/C=C/CCNc1cc(C)c(Br)cn1 ZINC000126794938 264226587 /nfs/dbraw/zinc/22/65/87/264226587.db2.gz DQSCHQUUKDJEDF-ONEGZZNKSA-N 0 0 255.159 3.531 10 0 CHAERN CCC(CC)N(CC(C)C)C(=O)c1ccc2c(c1)CCN2 ZINC000093310604 264305927 /nfs/dbraw/zinc/30/59/27/264305927.db2.gz ZTVDPHAYJJABEN-UHFFFAOYSA-N 0 0 288.435 3.941 10 0 CHAERN CC1(C)C[C@H](Nc2cccc(-n3cccn3)c2)C(C)(C)O1 ZINC000094423645 265242920 /nfs/dbraw/zinc/24/29/20/265242920.db2.gz HHRTZOWLMNOAOH-HNNXBMFYSA-N 0 0 285.391 3.630 10 0 CHAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1O ZINC000094962045 265279385 /nfs/dbraw/zinc/27/93/85/265279385.db2.gz ZOWNHVRYLFBPPE-GFCCVEGCSA-N 0 0 287.334 3.639 10 0 CHAERN CCCC(CCC)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000212252622 265379406 /nfs/dbraw/zinc/37/94/06/265379406.db2.gz XZXLLJVDQCNIJH-ZACQAIPSSA-N 0 0 295.467 3.745 10 0 CHAERN O=C(c1cccc(F)c1F)N1CCC[C@@H]1c1ccco1 ZINC000116044270 267120945 /nfs/dbraw/zinc/12/09/45/267120945.db2.gz RBUNYWGNVWYLKE-GFCCVEGCSA-N 0 0 277.270 3.535 10 0 CHAERN CCCCS[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116047280 267121011 /nfs/dbraw/zinc/12/10/11/267121011.db2.gz XUVPKWOGDJASAG-CHWSQXEVSA-N 0 0 281.421 3.865 10 0 CHAERN O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@H]1c1ccco1 ZINC000116212376 267133975 /nfs/dbraw/zinc/13/39/75/267133975.db2.gz VHZONHHNNNBABC-HNNXBMFYSA-N 0 0 298.317 3.877 10 0 CHAERN O=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116412794 267151796 /nfs/dbraw/zinc/15/17/96/267151796.db2.gz IXIYBILMQBDCCN-INIZCTEOSA-N 0 0 298.386 3.759 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)o1 ZINC000116420865 267151930 /nfs/dbraw/zinc/15/19/30/267151930.db2.gz IFTWFNLTYAXCML-QWHCGFSZSA-N 0 0 288.347 3.789 10 0 CHAERN CC[C@@H](C)N(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119142443 267303415 /nfs/dbraw/zinc/30/34/15/267303415.db2.gz APBAWMCWSXNXBL-ABAIWWIYSA-N 0 0 278.371 3.643 10 0 CHAERN Cc1cc(C(=O)N2C[C@H]3CCCCC[C@H]32)ccc1F ZINC000370716983 267341247 /nfs/dbraw/zinc/34/12/47/267341247.db2.gz QBUPFHCPOADHIT-UKRRQHHQSA-N 0 0 261.340 3.539 10 0 CHAERN CC(C)CCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121763490 267725114 /nfs/dbraw/zinc/72/51/14/267725114.db2.gz NUWRNEVLDCIWHX-CQSZACIVSA-N 0 0 275.392 3.841 10 0 CHAERN Cc1ccc(CN(C)C(=O)CCCC(C)(C)C)o1 ZINC000103426929 327698387 /nfs/dbraw/zinc/69/83/87/327698387.db2.gz METDWSIKKGAIPN-UHFFFAOYSA-N 0 0 251.370 3.763 10 0 CHAERN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2C)c(C)n1 ZINC000152270094 328083592 /nfs/dbraw/zinc/08/35/92/328083592.db2.gz MRPPAWGXLBQMFP-ZDUSSCGKSA-N 0 0 283.375 3.890 10 0 CHAERN CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368071 328355737 /nfs/dbraw/zinc/35/57/37/328355737.db2.gz IZTBZNZNHWEKDS-STQMWFEESA-N 0 0 277.408 3.586 10 0 CHAERN COc1ccc(-c2nc([C@H]3CCC[C@H](C)C3)no2)c(O)c1 ZINC000111689051 328374972 /nfs/dbraw/zinc/37/49/72/328374972.db2.gz OIFOEPXLPSLNHF-QWRGUYRKSA-N 0 0 288.347 3.745 10 0 CHAERN Cc1ccc(C)c(CNc2ccc(N3CCCC3)nc2)c1 ZINC000049670189 328375912 /nfs/dbraw/zinc/37/59/12/328375912.db2.gz YLYNHZGARPNJRZ-UHFFFAOYSA-N 0 0 281.403 3.911 10 0 CHAERN CCc1cnc([C@H](C)Nc2ccncc2Cl)s1 ZINC000134927885 328517645 /nfs/dbraw/zinc/51/76/45/328517645.db2.gz YQJLUPPNNCCWFU-QMMMGPOBSA-N 0 0 267.785 3.927 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ccncc2Cl)s1 ZINC000134927864 328517749 /nfs/dbraw/zinc/51/77/49/328517749.db2.gz YQJLUPPNNCCWFU-MRVPVSSYSA-N 0 0 267.785 3.927 10 0 CHAERN CCCN(CC1CC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081735 326824171 /nfs/dbraw/zinc/82/41/71/326824171.db2.gz HIFZISOSGTVKSO-UONOGXRCSA-N 0 0 293.357 3.717 10 0 CHAERN CCC(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109104664 326824234 /nfs/dbraw/zinc/82/42/34/326824234.db2.gz GDDKXGTVWIDIOT-CHWSQXEVSA-N 0 0 281.346 3.621 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2cccc(F)c2)c1 ZINC000037086684 326835962 /nfs/dbraw/zinc/83/59/62/326835962.db2.gz JBLCQDKIRLVFQT-GFCCVEGCSA-N 0 0 286.350 3.667 10 0 CHAERN Cc1ccc([C@H](C)Nc2cccc(-n3nnnc3C)c2)s1 ZINC000037105769 326836659 /nfs/dbraw/zinc/83/66/59/326836659.db2.gz FJTOGIYMOQDFQF-NSHDSACASA-N 0 0 299.403 3.514 10 0 CHAERN Cc1cccc(C2CC(Nc3ccccc3CO)C2)c1 ZINC000037134030 326838546 /nfs/dbraw/zinc/83/85/46/326838546.db2.gz CORHOGZMFVQXHU-UHFFFAOYSA-N 0 0 267.372 3.845 10 0 CHAERN CSc1ccc(N[C@H]2CC(=O)N(C)c3ccccc32)cc1 ZINC000037197717 326840720 /nfs/dbraw/zinc/84/07/20/326840720.db2.gz KMQMXLDCEXDMJY-HNNXBMFYSA-N 0 0 298.411 3.928 10 0 CHAERN CC(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248931635 326878263 /nfs/dbraw/zinc/87/82/63/326878263.db2.gz XWEMDLFMIALBQA-QJPTWQEYSA-N 0 0 279.346 3.906 10 0 CHAERN CCOc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000088400059 327025086 /nfs/dbraw/zinc/02/50/86/327025086.db2.gz IEMUPALCWYSLLC-AWEZNQCLSA-N 0 0 289.375 3.716 10 0 CHAERN CC[C@@H](C(=O)N1CCCc2c(N)cccc21)c1ccccc1 ZINC000262040291 327081892 /nfs/dbraw/zinc/08/18/92/327081892.db2.gz BVZJBAKDTPZUJP-OAHLLOKOSA-N 0 0 294.398 3.742 10 0 CHAERN CCC1CCC(NC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000092168866 327188824 /nfs/dbraw/zinc/18/88/24/327188824.db2.gz DCBFUWSTOMCTBN-UHFFFAOYSA-N 0 0 288.391 3.807 10 0 CHAERN COc1cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1Cl ZINC000278794553 327196122 /nfs/dbraw/zinc/19/61/22/327196122.db2.gz MJYVMANAAZWGRK-ZLKJLUDKSA-N 0 0 281.783 3.574 10 0 CHAERN Cc1cc(C)nc(-c2noc([C@@H]3CCC[C@H]3C)n2)c1 ZINC000408224199 327301229 /nfs/dbraw/zinc/30/12/29/327301229.db2.gz DZBUDSHITDVNBG-ZYHUDNBSSA-N 0 0 257.337 3.652 10 0 CHAERN O=C(NCCc1ccsc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000150831627 327386518 /nfs/dbraw/zinc/38/65/18/327386518.db2.gz ZEENXXVPIYSJEY-LSDHHAIUSA-N 0 0 277.433 3.623 10 0 CHAERN Cc1ccc2c(c1)[C@@H](Nc1cn(C)nc1C(C)C)CC2 ZINC000380297863 327521078 /nfs/dbraw/zinc/52/10/78/327521078.db2.gz TXQFPHLWCKJVCQ-HNNXBMFYSA-N 0 0 269.392 3.951 10 0 CHAERN Cc1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1Cl ZINC000193879301 329062271 /nfs/dbraw/zinc/06/22/71/329062271.db2.gz NFMWKZNWFZRJGH-INIZCTEOSA-N 0 0 289.810 3.719 10 0 CHAERN Cc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1Cl ZINC000193879284 329062314 /nfs/dbraw/zinc/06/23/14/329062314.db2.gz NFMWKZNWFZRJGH-MRXNPFEDSA-N 0 0 289.810 3.719 10 0 CHAERN CCC[C@H]1C[C@@H]1Nc1cc(Cl)nc(C2CC2)n1 ZINC000218053086 329066922 /nfs/dbraw/zinc/06/69/22/329066922.db2.gz FLTGKNGYWDWMPR-UWVGGRQHSA-N 0 0 251.761 3.608 10 0 CHAERN Cc1nc([C@@H](C)Nc2cnc3ccccc3n2)cs1 ZINC000170543350 329067547 /nfs/dbraw/zinc/06/75/47/329067547.db2.gz SNWZFIIRDXBTIA-SECBINFHSA-N 0 0 270.361 3.568 10 0 CHAERN COc1cc(C)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000172058828 329080653 /nfs/dbraw/zinc/08/06/53/329080653.db2.gz YMPIXVAUXYDKIG-PXAZEXFGSA-N 0 0 297.354 3.507 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccs1 ZINC000172111691 329081090 /nfs/dbraw/zinc/08/10/90/329081090.db2.gz IPXOHXFQYFGECR-RYUDHWBXSA-N 0 0 290.388 3.949 10 0 CHAERN CC(C)CCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000172112771 329081303 /nfs/dbraw/zinc/08/13/03/329081303.db2.gz MBTFTHJOOLNTGM-ZDUSSCGKSA-N 0 0 264.369 3.562 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccnc2C)o1 ZINC000172669325 329136448 /nfs/dbraw/zinc/13/64/48/329136448.db2.gz YHUMVGVOJJJJRC-INIZCTEOSA-N 0 0 298.386 3.913 10 0 CHAERN CCC[C@H](C)C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173407211 329146757 /nfs/dbraw/zinc/14/67/57/329146757.db2.gz SDFAZGHKMQUQII-WCQYABFASA-N 0 0 280.437 3.594 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 ZINC000173414058 329146904 /nfs/dbraw/zinc/14/69/04/329146904.db2.gz QHABRASYJMGJSF-KBPBESRZSA-N 0 0 290.432 3.514 10 0 CHAERN CCCCCCC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173454142 329146961 /nfs/dbraw/zinc/14/69/61/329146961.db2.gz XMFVUWZAUGDNJO-ZDUSSCGKSA-N 0 0 293.411 3.827 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccco2)o1 ZINC000173475305 329147290 /nfs/dbraw/zinc/14/72/90/329147290.db2.gz VZKHRIZKNUVRNQ-CQSZACIVSA-N 0 0 288.347 3.618 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3CCC3)C2)cc1 ZINC000173622909 329150068 /nfs/dbraw/zinc/15/00/68/329150068.db2.gz XUFFQEGQTZTDFF-XJKSGUPXSA-N 0 0 287.403 3.590 10 0 CHAERN CCC(CC)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174080635 329154092 /nfs/dbraw/zinc/15/40/92/329154092.db2.gz NBCZTGHNBZIFJF-UHFFFAOYSA-N 0 0 292.398 3.665 10 0 CHAERN C[C@H](NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)c1ccncc1 ZINC000174814745 329161601 /nfs/dbraw/zinc/16/16/01/329161601.db2.gz FDWKWODSNHJJIF-GRDNDAEWSA-N 0 0 295.386 3.545 10 0 CHAERN O=C(CCC1CCC1)N1CC=C(c2ccccc2)CC1 ZINC000175277729 329167175 /nfs/dbraw/zinc/16/71/75/329167175.db2.gz GWOUCQKLYZZKGG-UHFFFAOYSA-N 0 0 269.388 3.883 10 0 CHAERN Clc1ncc(CN2CCC[C@H]2c2ccco2)s1 ZINC000175446467 329168595 /nfs/dbraw/zinc/16/85/95/329168595.db2.gz VJNRTKJDRMYATL-JTQLQIEISA-N 0 0 268.769 3.727 10 0 CHAERN C[C@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)C(C)(C)C ZINC000175504854 329169037 /nfs/dbraw/zinc/16/90/37/329169037.db2.gz JQCLAZODCMTDMR-DZGCQCFKSA-N 0 0 291.439 3.696 10 0 CHAERN CC(C(=O)N1CCC[C@H](c2nccs2)C1)=C1CCCC1 ZINC000176613762 329177455 /nfs/dbraw/zinc/17/74/55/329177455.db2.gz IVHZNILAVGWVHL-AWEZNQCLSA-N 0 0 290.432 3.740 10 0 CHAERN O=C(CCC1CCC1)N1CC=C(c2cccs2)CC1 ZINC000176767861 329178847 /nfs/dbraw/zinc/17/88/47/329178847.db2.gz RJPMTRZLNNAWEV-UHFFFAOYSA-N 0 0 275.417 3.944 10 0 CHAERN CC(C)n1ccnc1CN(CC1CC1)c1ccccc1 ZINC000177174321 329181487 /nfs/dbraw/zinc/18/14/87/329181487.db2.gz NKXXJTGVQYAUFO-UHFFFAOYSA-N 0 0 269.392 3.881 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1Cl ZINC000178044413 329191999 /nfs/dbraw/zinc/19/19/99/329191999.db2.gz ADJIDJMVKFHIDO-QMTHXVAHSA-N 0 0 297.782 3.633 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1Cl ZINC000178044427 329192083 /nfs/dbraw/zinc/19/20/83/329192083.db2.gz ADJIDJMVKFHIDO-IINYFYTJSA-N 0 0 297.782 3.633 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(Cl)c2F)o1 ZINC000220949178 329204130 /nfs/dbraw/zinc/20/41/30/329204130.db2.gz NACLQTXJGUTQSJ-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccoc1 ZINC000179811093 329212485 /nfs/dbraw/zinc/21/24/85/329212485.db2.gz AFUCVIFUGSNHGG-NSHDSACASA-N 0 0 270.332 3.728 10 0 CHAERN COC[C@H](NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)c1ccco1 ZINC000180344380 329215331 /nfs/dbraw/zinc/21/53/31/329215331.db2.gz CCTOCRTWLDJQDS-MJBXVCDLSA-N 0 0 293.407 3.546 10 0 CHAERN COC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1 ZINC000180344327 329215404 /nfs/dbraw/zinc/21/54/04/329215404.db2.gz CCTOCRTWLDJQDS-RDBSUJKOSA-N 0 0 293.407 3.546 10 0 CHAERN CCO[C@H]1C[C@H](N(C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593430 329220984 /nfs/dbraw/zinc/22/09/84/329220984.db2.gz IDQYUQCUJNIMHD-KBPBESRZSA-N 0 0 294.464 3.621 10 0 CHAERN Cc1nnc(CN[C@@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000181060721 329225370 /nfs/dbraw/zinc/22/53/70/329225370.db2.gz RCKXEOVHDRTBMU-ZETCQYMHSA-N 0 0 286.162 3.536 10 0 CHAERN CCOCCC1(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000181166211 329233060 /nfs/dbraw/zinc/23/30/60/329233060.db2.gz SYRUGZYLXXBZHZ-CABCVRRESA-N 0 0 295.467 3.772 10 0 CHAERN CC(C)OCCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000181490084 329233594 /nfs/dbraw/zinc/23/35/94/329233594.db2.gz MPEDOXXZHAEKEM-UHFFFAOYSA-N 0 0 287.403 3.508 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(C)Cc2ccco2)CC(C)(C)C1 ZINC000182490109 329242460 /nfs/dbraw/zinc/24/24/60/329242460.db2.gz FXYHQTPKEMARJZ-STQMWFEESA-N 0 0 263.381 3.700 10 0 CHAERN C[C@H](NCc1noc(-c2ccsc2)n1)c1cccs1 ZINC000182545178 329242898 /nfs/dbraw/zinc/24/28/98/329242898.db2.gz VBKVHWJHYDHDHE-VIFPVBQESA-N 0 0 291.401 3.710 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000183597023 329250914 /nfs/dbraw/zinc/25/09/14/329250914.db2.gz ZPWCZQOHRATRHE-AAEUAGOBSA-N 0 0 294.464 3.840 10 0 CHAERN CC(C)CC[C@H](C)Nc1cccc2c1OCC[C@H]2O ZINC000184567412 329260068 /nfs/dbraw/zinc/26/00/68/329260068.db2.gz VLVHOCDYXZAZGC-SWLSCSKDSA-N 0 0 263.381 3.739 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000184814614 329262845 /nfs/dbraw/zinc/26/28/45/329262845.db2.gz ORBMENWBTBVAJR-IRXDYDNUSA-N 0 0 269.388 3.594 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185199735 329267659 /nfs/dbraw/zinc/26/76/59/329267659.db2.gz QYMCVEYWGTUTFK-GDBMZVCRSA-N 0 0 299.370 3.525 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185984877 329337882 /nfs/dbraw/zinc/33/78/82/329337882.db2.gz LEVUBWPQMHESEM-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CC[C@H](C)[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548617 329345146 /nfs/dbraw/zinc/34/51/46/329345146.db2.gz WLFFXMLUZDTTFC-QWRGUYRKSA-N 0 0 261.369 3.510 10 0 CHAERN Cc1cncc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186543335 329345213 /nfs/dbraw/zinc/34/52/13/329345213.db2.gz RQVMNKVGZKLWGP-GFCCVEGCSA-N 0 0 296.374 3.540 10 0 CHAERN CC1(C)[C@H](Nc2ccc(Cl)cc2)[C@@H]2CCO[C@@H]21 ZINC000085629385 329351270 /nfs/dbraw/zinc/35/12/70/329351270.db2.gz ITVVPLLCSHIQJZ-XQQFMLRXSA-N 0 0 251.757 3.565 10 0 CHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccsc1Cl ZINC000187822084 329360949 /nfs/dbraw/zinc/36/09/49/329360949.db2.gz FUKUUISUOOLBNJ-QPUJVOFHSA-N 0 0 293.775 3.905 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c(Cl)c1 ZINC000188306040 329366178 /nfs/dbraw/zinc/36/61/78/329366178.db2.gz PGSYZVQPEUESSU-HZMBPMFUSA-N 0 0 297.782 3.633 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc(F)c2Cl)o1 ZINC000230645716 329367867 /nfs/dbraw/zinc/36/78/67/329367867.db2.gz VKUFHIFGRYYGOI-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Fc1ccc(Cl)c(CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000188925125 329373471 /nfs/dbraw/zinc/37/34/71/329373471.db2.gz PDCKWBDVVHUIKG-UHFFFAOYSA-N 0 0 293.773 3.582 10 0 CHAERN CCn1cccc1CNc1ccc(Cl)c(OC)c1 ZINC000232200087 329385400 /nfs/dbraw/zinc/38/54/00/329385400.db2.gz DBXMNDZFUOGIOY-UHFFFAOYSA-N 0 0 264.756 3.782 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2nc3ccccc3o2)cs1 ZINC000189770719 329386922 /nfs/dbraw/zinc/38/69/22/329386922.db2.gz YXELXRZCTPINJH-AWEZNQCLSA-N 0 0 299.399 3.930 10 0 CHAERN c1ccc(OCc2ccccc2NCc2ncccn2)cc1 ZINC000190352924 329395233 /nfs/dbraw/zinc/39/52/33/329395233.db2.gz RKFXPAPTBQJYHE-UHFFFAOYSA-N 0 0 291.354 3.668 10 0 CHAERN CCCSCc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190385245 329395815 /nfs/dbraw/zinc/39/58/15/329395815.db2.gz DNAJSUGKDBMHNK-JQWIXIFHSA-N 0 0 284.425 3.631 10 0 CHAERN CC(C)(C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191205487 329410715 /nfs/dbraw/zinc/41/07/15/329410715.db2.gz MSXPDKLWEVIBGR-LLVKDONJSA-N 0 0 281.346 3.717 10 0 CHAERN O=C(Nc1cccc(-c2ncon2)c1)C1CCCCCC1 ZINC000101868650 329534125 /nfs/dbraw/zinc/53/41/25/329534125.db2.gz IWTBPIJLYWUKGI-UHFFFAOYSA-N 0 0 285.347 3.646 10 0 CHAERN O=C(c1ccnc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116044970 329544428 /nfs/dbraw/zinc/54/44/28/329544428.db2.gz LWMDZQJWCPNLDY-INIZCTEOSA-N 0 0 292.338 3.805 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2c(F)cccc2F)o1 ZINC000043265738 329580479 /nfs/dbraw/zinc/58/04/79/329580479.db2.gz UWBNFUWDYGOHMN-VIFPVBQESA-N 0 0 280.274 3.749 10 0 CHAERN CC(C)(C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000044671057 329592903 /nfs/dbraw/zinc/59/29/03/329592903.db2.gz SUPMLSVVVHOIEB-UHFFFAOYSA-N 0 0 257.377 3.739 10 0 CHAERN CC[C@@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129937325 329621223 /nfs/dbraw/zinc/62/12/23/329621223.db2.gz KEQITGZIDMIMOP-HIFRSBDPSA-N 0 0 287.403 3.985 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CSc2ccc(C)cc2)o1 ZINC000048411520 329626273 /nfs/dbraw/zinc/62/62/73/329626273.db2.gz ZILOMNFQZHRRNK-ZDUSSCGKSA-N 0 0 289.400 3.866 10 0 CHAERN C[C@@H](NC(=O)N1CCc2c([nH]c3ccccc32)C1)C(C)(C)C ZINC000132906990 329649507 /nfs/dbraw/zinc/64/95/07/329649507.db2.gz KWONKNBNGCSBNE-GFCCVEGCSA-N 0 0 299.418 3.670 10 0 CHAERN CC(C)c1ncc(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000133702307 329654941 /nfs/dbraw/zinc/65/49/41/329654941.db2.gz KIVYYTNISQBNMH-NSHDSACASA-N 0 0 290.388 3.837 10 0 CHAERN C[C@@H]1CN(Cc2noc(C(C)(C)C)n2)[C@H]1c1ccccc1 ZINC000245434349 329698691 /nfs/dbraw/zinc/69/86/91/329698691.db2.gz PRGMMBOQRZKLGQ-IUODEOHRSA-N 0 0 285.391 3.560 10 0 CHAERN CCSc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000246085119 329781099 /nfs/dbraw/zinc/78/10/99/329781099.db2.gz ULUKNRVIEGCQAZ-XUJVJEKNSA-N 0 0 293.432 3.543 10 0 CHAERN CC(C)C[C@@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047390 329850436 /nfs/dbraw/zinc/85/04/36/329850436.db2.gz SPEJXHMCZNLEMK-KGLIPLIRSA-N 0 0 294.464 3.921 10 0 CHAERN CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000067040055 329850409 /nfs/dbraw/zinc/85/04/09/329850409.db2.gz PFUITIZYYSBEAJ-KBPBESRZSA-N 0 0 263.381 3.524 10 0 CHAERN CC(C)[C@H](C)CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000067816868 329851454 /nfs/dbraw/zinc/85/14/54/329851454.db2.gz RUNLSAIZEIKAJT-GFCCVEGCSA-N 0 0 272.348 3.962 10 0 CHAERN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909276 329865698 /nfs/dbraw/zinc/86/56/98/329865698.db2.gz LHDPFUKZVVXZDL-GFCCVEGCSA-N 0 0 292.791 3.774 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000248552778 329891717 /nfs/dbraw/zinc/89/17/17/329891717.db2.gz AIUGQBSGEQXWCX-YCPHGPKFSA-N 0 0 274.408 3.673 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000248470602 329894217 /nfs/dbraw/zinc/89/42/17/329894217.db2.gz IABRXIQUBSLGOZ-WWGRRREGSA-N 0 0 292.448 3.879 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000249378559 329906048 /nfs/dbraw/zinc/90/60/48/329906048.db2.gz ZCNRGLGAIVONLT-KKUMJFAQSA-N 0 0 287.403 3.697 10 0 CHAERN CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@H]1C(C)C ZINC000249299931 329908795 /nfs/dbraw/zinc/90/87/95/329908795.db2.gz NYKWILJPGNPQBL-MELADBBJSA-N 0 0 277.433 3.876 10 0 CHAERN C[C@H]1COC[C@H](C)N1Cc1csc(C2CCCCC2)n1 ZINC000077366020 329925166 /nfs/dbraw/zinc/92/51/66/329925166.db2.gz ONWDUBBIVJSHNG-STQMWFEESA-N 0 0 294.464 3.800 10 0 CHAERN CCCC[C@H]([NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263435373 330055627 /nfs/dbraw/zinc/05/56/27/330055627.db2.gz UJBWENWELQHCML-IMJJTQAJSA-N 0 0 293.382 3.695 10 0 CHAERN Cc1csc([C@@H](C)N[C@@H](C)c2csc(C)n2)n1 ZINC000080270269 330116285 /nfs/dbraw/zinc/11/62/85/330116285.db2.gz NQHQFCZNHAIVOB-DTWKUNHWSA-N 0 0 267.423 3.628 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)CC2CCC2)c2ccccc21 ZINC000162799719 330118896 /nfs/dbraw/zinc/11/88/96/330118896.db2.gz RVXLNYJCBXNDSD-BLLLJJGKSA-N 0 0 257.377 3.931 10 0 CHAERN Nc1nc(Cl)cc(Nc2ccc3ccccc3c2)n1 ZINC000082190517 330353765 /nfs/dbraw/zinc/35/37/65/330353765.db2.gz ABWZACSQCFSCLA-UHFFFAOYSA-N 0 0 270.723 3.609 10 0 CHAERN CCCCOCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000118193285 330366740 /nfs/dbraw/zinc/36/67/40/330366740.db2.gz VUXFZLJFXGYWSE-CQSZACIVSA-N 0 0 285.387 3.834 10 0 CHAERN C[C@H](Nc1nc(C(C)(C)C)ns1)c1ccco1 ZINC000087640616 330373851 /nfs/dbraw/zinc/37/38/51/330373851.db2.gz JSZMNONDCNWYGX-QMMMGPOBSA-N 0 0 251.355 3.602 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cncc(Cl)n2)cc1F ZINC000088521610 330377329 /nfs/dbraw/zinc/37/73/29/330377329.db2.gz LCVHTRWWWOKQCQ-SECBINFHSA-N 0 0 265.719 3.751 10 0 CHAERN COc1cncc(-c2c(F)cccc2Br)c1 ZINC000536958883 330383958 /nfs/dbraw/zinc/38/39/58/330383958.db2.gz MAINIENFEZFILE-UHFFFAOYSA-N 0 0 282.112 3.659 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@H](C)CSCc1ccccc1 ZINC000121072666 330396049 /nfs/dbraw/zinc/39/60/49/330396049.db2.gz NPBCRYGSSIMZQU-ZIAGYGMSSA-N 0 0 279.449 3.717 10 0 CHAERN CCc1nnc(CS[C@@H](C)c2cc(F)ccc2F)n1C ZINC000091029048 330397944 /nfs/dbraw/zinc/39/79/44/330397944.db2.gz DADCWCYHXVYXDK-VIFPVBQESA-N 0 0 297.374 3.650 10 0 CHAERN Fc1ccc2c(c1)CCC[C@H]2Nc1ncnc2ncccc21 ZINC000092900395 330414886 /nfs/dbraw/zinc/41/48/86/330414886.db2.gz WLGBQZVADJIAIX-OAHLLOKOSA-N 0 0 294.333 3.653 10 0 CHAERN Cc1cc(NC(=O)c2cccc3c2CCCN3)ccc1F ZINC000061413135 330437887 /nfs/dbraw/zinc/43/78/87/330437887.db2.gz OUXAQPLPVYQTOE-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1cncs1 ZINC000165018215 331305603 /nfs/dbraw/zinc/30/56/03/331305603.db2.gz YIDVCMOYIWFCID-ZETCQYMHSA-N 0 0 284.287 3.638 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2Cc3ccccc3C[C@@H]2C)o1 ZINC000175342616 333022354 /nfs/dbraw/zinc/02/23/54/333022354.db2.gz PWSLYNPPKIRTQQ-JSGCOSHPSA-N 0 0 298.386 3.805 10 0 CHAERN Clc1ccsc1CN1CCNc2ccccc21 ZINC000310144097 333054482 /nfs/dbraw/zinc/05/44/82/333054482.db2.gz KXOBSMKKFMGEHG-UHFFFAOYSA-N 0 0 264.781 3.834 10 0 CHAERN CC(=O)c1c(C)oc2ncnc(N[C@@H](C)c3ccc(C)o3)c21 ZINC000178853527 333078084 /nfs/dbraw/zinc/07/80/84/333078084.db2.gz ZLRQUOWQAIARJZ-VIFPVBQESA-N 0 0 299.330 3.808 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1F ZINC000088234216 333087234 /nfs/dbraw/zinc/08/72/34/333087234.db2.gz OOWANVZQEZYISW-GFCCVEGCSA-N 0 0 289.325 3.693 10 0 CHAERN COc1cccc(C(=O)N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000088234561 333087333 /nfs/dbraw/zinc/08/73/33/333087333.db2.gz SRGYZVHZOQUANZ-GFCCVEGCSA-N 0 0 287.334 3.634 10 0 CHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000185316710 333138724 /nfs/dbraw/zinc/13/87/24/333138724.db2.gz ZRBRYXXQODVGDU-SFTQSGBHSA-N 0 0 291.357 3.906 10 0 CHAERN O[C@@]12CCCC[C@H]1C[N@H+](Cc1cccc(Cl)c1F)CC2 ZINC000219823604 333157611 /nfs/dbraw/zinc/15/76/11/333157611.db2.gz AEZIEECRMWVNBU-XJKSGUPXSA-N 0 0 297.801 3.606 10 0 CHAERN O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000219823366 333157755 /nfs/dbraw/zinc/15/77/55/333157755.db2.gz YJZWWWKUPGXRDL-BBRMVZONSA-N 0 0 297.801 3.606 10 0 CHAERN Cc1cnc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000220889970 333170410 /nfs/dbraw/zinc/17/04/10/333170410.db2.gz RKTDATSZWZCJII-ZJUUUORDSA-N 0 0 266.291 3.673 10 0 CHAERN Cc1cnc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)o1 ZINC000220905792 333170492 /nfs/dbraw/zinc/17/04/92/333170492.db2.gz CRLZKWOXXFNDRW-UWVGGRQHSA-N 0 0 266.291 3.673 10 0 CHAERN CCOc1ccccc1[C@H](C)N[C@H](C)c1ncc(C)o1 ZINC000220927586 333170808 /nfs/dbraw/zinc/17/08/08/333170808.db2.gz XIJAMVHSWFUUGS-QWHCGFSZSA-N 0 0 274.364 3.794 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(C(C)C)cc2)o1 ZINC000220920253 333170961 /nfs/dbraw/zinc/17/09/61/333170961.db2.gz HWFSDIRAJVITOS-ZDUSSCGKSA-N 0 0 258.365 3.957 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)c2c[nH]nc2C(C)C)cc1 ZINC000188823051 333174503 /nfs/dbraw/zinc/17/45/03/333174503.db2.gz BSNDIFCJCRXCQR-LBPRGKRZSA-N 0 0 285.391 3.587 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000190286418 333205116 /nfs/dbraw/zinc/20/51/16/333205116.db2.gz DOGHTFXMVRCNAO-SWLSCSKDSA-N 0 0 275.392 3.738 10 0 CHAERN CN(C(=O)N1CCC[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000190666413 333209541 /nfs/dbraw/zinc/20/95/41/333209541.db2.gz VURBWLNHNKZJKF-AWEZNQCLSA-N 0 0 288.322 3.812 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N2CCCC3(CCCCC3)CC2)O1 ZINC000190674690 333209578 /nfs/dbraw/zinc/20/95/78/333209578.db2.gz RUZRJYZJBKQPNP-LSDHHAIUSA-N 0 0 279.424 3.517 10 0 CHAERN CC[C@@H](C)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000191125023 333215452 /nfs/dbraw/zinc/21/54/52/333215452.db2.gz AJZMKNGBOOGKTJ-ZBFHGGJFSA-N 0 0 289.419 3.801 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Cc1cccc(Cl)c1Cl ZINC000193744647 333256371 /nfs/dbraw/zinc/25/63/71/333256371.db2.gz WOWRMOPGTJNCPU-SECBINFHSA-N 0 0 274.191 3.697 10 0 CHAERN C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)O1 ZINC000227020213 333273585 /nfs/dbraw/zinc/27/35/85/333273585.db2.gz HQBFXWXJENUYFR-UKPHBRMFSA-N 0 0 271.360 3.526 10 0 CHAERN CC[C@@H](O)COc1ccc(Br)cc1C(C)C ZINC000227998605 333292363 /nfs/dbraw/zinc/29/23/63/333292363.db2.gz NAGITLGUDZXSBS-LLVKDONJSA-N 0 0 287.197 3.722 10 0 CHAERN Cc1cnc([C@@H](C)Nc2ccnc(Cl)c2)s1 ZINC000229735934 333308770 /nfs/dbraw/zinc/30/87/70/333308770.db2.gz VSRKGKQZOBKYRM-MRVPVSSYSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@H]1CCC[C@H](c2noc(-c3ccc(O)cc3F)n2)C1 ZINC000230229047 333316215 /nfs/dbraw/zinc/31/62/15/333316215.db2.gz CBFICPSNSQAYBN-UWVGGRQHSA-N 0 0 276.311 3.875 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(Br)c1C ZINC000231691653 333328259 /nfs/dbraw/zinc/32/82/59/333328259.db2.gz XWEOZEFSGNJLNP-GXFFZTMASA-N 0 0 296.208 3.676 10 0 CHAERN Cc1cnc([C@H](C)Nc2ccc3ccccc3n2)o1 ZINC000235553191 333370689 /nfs/dbraw/zinc/37/06/89/333370689.db2.gz CLJSQQWBFGFLQK-NSHDSACASA-N 0 0 253.305 3.704 10 0 CHAERN C[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)CCS1 ZINC000235731188 333371732 /nfs/dbraw/zinc/37/17/32/333371732.db2.gz QVJPTIMAQIBMNO-NSHDSACASA-N 0 0 289.375 3.556 10 0 CHAERN COC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(C)cc1C ZINC000036980927 333448827 /nfs/dbraw/zinc/44/88/27/333448827.db2.gz QJGIAJZHCVEMFA-HOCLYGCPSA-N 0 0 277.408 3.542 10 0 CHAERN CCCC[C@@H](Nc1cnn(CCOC)c1)c1ccccc1 ZINC000037305442 333531645 /nfs/dbraw/zinc/53/16/45/333531645.db2.gz VTDCLBHEQJQJDT-QGZVFWFLSA-N 0 0 287.407 3.873 10 0 CHAERN CCOC(=O)CN[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000037394351 333532892 /nfs/dbraw/zinc/53/28/92/333532892.db2.gz JQNRYKHPDMYYDL-AWEZNQCLSA-N 0 0 283.371 3.567 10 0 CHAERN Nc1cccc2c1CCCN2C/C=C/c1ccccc1 ZINC000037906034 333542565 /nfs/dbraw/zinc/54/25/65/333542565.db2.gz WQGOJZYTZOAZMD-WEVVVXLNSA-N 0 0 264.372 3.735 10 0 CHAERN CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128325449 333659706 /nfs/dbraw/zinc/65/97/06/333659706.db2.gz SVXCCMREEVKYTM-GFCCVEGCSA-N 0 0 287.325 3.712 10 0 CHAERN CC(C)[C@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000128335594 333660171 /nfs/dbraw/zinc/66/01/71/333660171.db2.gz SJUVWRVMZRBJNN-AWEZNQCLSA-N 0 0 261.409 3.905 10 0 CHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000128891545 333723545 /nfs/dbraw/zinc/72/35/45/333723545.db2.gz YJRBEPOAGLFVRQ-GFCCVEGCSA-N 0 0 299.317 3.652 10 0 CHAERN C[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)O1 ZINC000129132557 333748692 /nfs/dbraw/zinc/74/86/92/333748692.db2.gz VZNSWIJWZBRIMN-KWQFWETISA-N 0 0 298.264 3.995 10 0 CHAERN OCCCCCOc1cc(Br)ccc1Cl ZINC000069717586 333785717 /nfs/dbraw/zinc/78/57/17/333785717.db2.gz BQJVWHKBSXJGHO-UHFFFAOYSA-N 0 0 293.588 3.644 10 0 CHAERN Cc1cccc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 ZINC000072577405 333944307 /nfs/dbraw/zinc/94/43/07/333944307.db2.gz IDDZXVZNGLZAAO-HUUCEWRRSA-N 0 0 282.387 3.673 10 0 CHAERN COc1ccccc1NC(=O)[C@]1(C)CCCc2ccccc21 ZINC000132686150 334000319 /nfs/dbraw/zinc/00/03/19/334000319.db2.gz IGJZPBXCVMONMH-LJQANCHMSA-N 0 0 295.382 3.928 10 0 CHAERN Cc1nccc(N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000133841264 334063478 /nfs/dbraw/zinc/06/34/78/334063478.db2.gz VIBYQIWGLKNWHD-XHDPSFHLSA-N 0 0 253.349 3.836 10 0 CHAERN CCn1ccnc1CN(C)c1cccc2ccccc21 ZINC000076292829 334078653 /nfs/dbraw/zinc/07/86/53/334078653.db2.gz CYFORFLXAZCSKU-UHFFFAOYSA-N 0 0 265.360 3.693 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000078005468 334120489 /nfs/dbraw/zinc/12/04/89/334120489.db2.gz KCBQISJUAUZDRN-ZFWWWQNUSA-N 0 0 272.392 3.586 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000079411724 334153897 /nfs/dbraw/zinc/15/38/97/334153897.db2.gz XTXSRRLCZOSACI-OLZOCXBDSA-N 0 0 265.372 3.555 10 0 CHAERN Cc1ccc([C@@H](C)NCc2nc3ccccc3[nH]2)cc1F ZINC000136752906 334163203 /nfs/dbraw/zinc/16/32/03/334163203.db2.gz MBISJRMOUQWJGQ-GFCCVEGCSA-N 0 0 283.350 3.861 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cc(C(=O)N(C)C)ccc2C)C1 ZINC000080434652 334171480 /nfs/dbraw/zinc/17/14/80/334171480.db2.gz YKQJJJIAHBFVBA-DZGCQCFKSA-N 0 0 274.408 3.687 10 0 CHAERN CC[C@H](C)Oc1cccc(NC[C@H](O)C(C)(C)C)c1 ZINC000311535063 334226814 /nfs/dbraw/zinc/22/68/14/334226814.db2.gz HQKPBFIMSWBDMP-WFASDCNBSA-N 0 0 265.397 3.683 10 0 CHAERN C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccccc1Cl ZINC000247326131 334279062 /nfs/dbraw/zinc/27/90/62/334279062.db2.gz LYKYDQQBPHHLSU-HUBLWGQQSA-N 0 0 267.800 3.542 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3CCC[C@H]32)o1 ZINC000247497485 334282698 /nfs/dbraw/zinc/28/26/98/334282698.db2.gz WVDKQXNMAKRJRU-BFHYXJOUSA-N 0 0 276.380 3.623 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)C[C@@H]1C=CCC1)[C@@H](C)C2 ZINC000248611465 334308639 /nfs/dbraw/zinc/30/86/39/334308639.db2.gz WHFVNCBBPHOPEJ-PMUMKWKESA-N 0 0 269.388 3.701 10 0 CHAERN C[C@@H]1CC[C@@H](Nc2cccc(Cn3cncn3)c2)C[C@H]1C ZINC000251848455 334370815 /nfs/dbraw/zinc/37/08/15/334370815.db2.gz OTRLWBICTKAAPW-CKEIUWERSA-N 0 0 284.407 3.563 10 0 CHAERN COC[C@H](C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000154224417 334690800 /nfs/dbraw/zinc/69/08/00/334690800.db2.gz WYSLFOWXCQSMPU-WMLDXEAASA-N 0 0 289.419 3.707 10 0 CHAERN CC[C@@H](CC(=O)N[C@H](C)C(C)C)c1ccc(OC)cc1 ZINC000154448981 334694726 /nfs/dbraw/zinc/69/47/26/334694726.db2.gz CBTOLEFDWLPGOW-KGLIPLIRSA-N 0 0 277.408 3.740 10 0 CHAERN Cc1nc2ccccc2nc1CNc1c(F)cccc1F ZINC000176336259 335263415 /nfs/dbraw/zinc/26/34/15/335263415.db2.gz FDGXOHKMVGWJFE-UHFFFAOYSA-N 0 0 285.297 3.829 10 0 CHAERN Cn1nccc1CNc1nc2c(ccc3c2CCCC3)s1 ZINC000181852322 335788322 /nfs/dbraw/zinc/78/83/22/335788322.db2.gz BHJCHXKCSFCNFG-UHFFFAOYSA-N 0 0 298.415 3.521 10 0 CHAERN CCc1cnccc1C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000184207223 335920802 /nfs/dbraw/zinc/92/08/02/335920802.db2.gz CMKSCWJJVBCZOU-INIZCTEOSA-N 0 0 298.386 3.913 10 0 CHAERN CCN(CC(F)F)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000185791993 335956948 /nfs/dbraw/zinc/95/69/48/335956948.db2.gz KWZRAUMGTBYXQN-WDEREUQCSA-N 0 0 261.356 3.562 10 0 CHAERN Cc1cccc(OCCc2nc(-c3ccccc3)no2)c1 ZINC000194314077 336016198 /nfs/dbraw/zinc/01/61/98/336016198.db2.gz PDIWGXQESFRZPM-UHFFFAOYSA-N 0 0 280.327 3.667 10 0 CHAERN CC(C)c1nnc(COc2cccc(C(F)(F)F)c2)n1C ZINC000194656493 336036221 /nfs/dbraw/zinc/03/62/21/336036221.db2.gz VZRAOFGPSPSDRW-UHFFFAOYSA-N 0 0 299.296 3.536 10 0 CHAERN Fc1cc(Cl)cnc1NCc1ccc2c(c1)CCCN2 ZINC000381790139 336072970 /nfs/dbraw/zinc/07/29/70/336072970.db2.gz SEKPPQVBKQAKCH-UHFFFAOYSA-N 0 0 291.757 3.844 10 0 CHAERN CC(C)c1ccn(-c2ccc([C@@H](C)O)cc2Cl)n1 ZINC000061697301 519848036 /nfs/dbraw/zinc/84/80/36/519848036.db2.gz ZPXCVQFKBAZTSN-SNVBAGLBSA-N 0 0 264.756 3.702 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1ccccc1F ZINC000049531412 519857960 /nfs/dbraw/zinc/85/79/60/519857960.db2.gz IUCCFWOMXAXHPG-SECBINFHSA-N 0 0 265.357 3.812 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)CCc1ccco1 ZINC000049569281 519857971 /nfs/dbraw/zinc/85/79/71/519857971.db2.gz KQBMUECMGJIVRE-SNVBAGLBSA-N 0 0 265.382 3.851 10 0 CHAERN CCNc1cc(C)nc(-c2cccc(Br)c2)n1 ZINC000050848785 520269368 /nfs/dbraw/zinc/26/93/68/520269368.db2.gz GGXGTTXQHRGKMG-UHFFFAOYSA-N 0 0 292.180 3.646 10 0 CHAERN CCC[C@@H](C)N(C)c1cc(Cl)ccc1C(N)=S ZINC000062788106 520648161 /nfs/dbraw/zinc/64/81/61/520648161.db2.gz UGJZHFLVSCEESW-SECBINFHSA-N 0 0 270.829 3.599 10 0 CHAERN CCCC[C@H](C)Nc1ccc(C(N)=S)cc1Cl ZINC000062796065 521153272 /nfs/dbraw/zinc/15/32/72/521153272.db2.gz CYWWXSMHBXYVMW-VIFPVBQESA-N 0 0 270.829 3.965 10 0 CHAERN CCCN(CCC)c1ccc(C(N)=S)cc1Cl ZINC000062795083 521650119 /nfs/dbraw/zinc/65/01/19/521650119.db2.gz JBJJSBUWCUFSDH-UHFFFAOYSA-N 0 0 270.829 3.601 10 0 CHAERN CCc1nc(N(C)c2cccc(C)c2)sc1C=O ZINC000054967592 522381630 /nfs/dbraw/zinc/38/16/30/522381630.db2.gz ZACVNMTYCBJEDS-UHFFFAOYSA-N 0 0 260.362 3.594 10 0 CHAERN CC(C)Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl ZINC000062609753 519463461 /nfs/dbraw/zinc/46/34/61/519463461.db2.gz RBBQUPKCRKKASB-UHFFFAOYSA-N 0 0 281.762 3.660 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)c1cncc(F)c1 ZINC000049576893 519803214 /nfs/dbraw/zinc/80/32/14/519803214.db2.gz NRGVACQKWWKASU-BYCMXARLSA-N 0 0 251.345 3.501 10 0 CHAERN CC(C)c1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139043446 519839341 /nfs/dbraw/zinc/83/93/41/519839341.db2.gz UKWSKWZCENOIKS-CHWSQXEVSA-N 0 0 257.381 3.945 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)c2cc[nH]c2)cc1 ZINC000068231206 519840039 /nfs/dbraw/zinc/84/00/39/519840039.db2.gz ZGVCWVJDACHTQX-LBPRGKRZSA-N 0 0 256.349 3.629 10 0 CHAERN CCN(C(=O)[C@@H](C)COC)[C@H](C)c1cc2ccccc2o1 ZINC000103385356 520009438 /nfs/dbraw/zinc/00/94/38/520009438.db2.gz KMDFACXFFFUTGZ-QWHCGFSZSA-N 0 0 289.375 3.625 10 0 CHAERN CCCNc1cc(-c2ccc(F)c(Br)c2)[nH]n1 ZINC000062668101 520127200 /nfs/dbraw/zinc/12/72/00/520127200.db2.gz MCOZIWKBHTUZKF-UHFFFAOYSA-N 0 0 298.159 3.800 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)NC[C@@H](C)CC ZINC000054492396 520154404 /nfs/dbraw/zinc/15/44/04/520154404.db2.gz MEKCBQGTWMSQFX-LBPRGKRZSA-N 0 0 262.397 3.593 10 0 CHAERN CCCNc1ccc(CO[C@@H](C)CC(C)C)cn1 ZINC000050832021 520160413 /nfs/dbraw/zinc/16/04/13/520160413.db2.gz JXTSHGLRUSHXOF-ZDUSSCGKSA-N 0 0 250.386 3.855 10 0 CHAERN CCCNc1ccc(Cl)c(CO[C@@H](C)CC)n1 ZINC000061640486 520163666 /nfs/dbraw/zinc/16/36/66/520163666.db2.gz MNWMBJIUGOVEPM-JTQLQIEISA-N 0 0 256.777 3.872 10 0 CHAERN CCNc1c2c(nc3c(F)c(F)c(F)cc31)CCC2 ZINC000050870692 520256169 /nfs/dbraw/zinc/25/61/69/520256169.db2.gz LSAGKHQDFKDVRZ-UHFFFAOYSA-N 0 0 266.266 3.573 10 0 CHAERN CCNc1cc(CC)nc(Cc2cccc(Cl)c2)n1 ZINC000050851192 520268959 /nfs/dbraw/zinc/26/89/59/520268959.db2.gz PJINRVGVOVTVCT-UHFFFAOYSA-N 0 0 275.783 3.715 10 0 CHAERN CCCOc1ccccc1N[C@@H](C)c1cn(C)nc1C ZINC000087407643 520483579 /nfs/dbraw/zinc/48/35/79/520483579.db2.gz RKBMUVBXTQNOMR-LBPRGKRZSA-N 0 0 273.380 3.690 10 0 CHAERN CC1(C)C[C@H](NCc2ccco2)c2ccccc2O1 ZINC000126885778 520556008 /nfs/dbraw/zinc/55/60/08/520556008.db2.gz PJESHDNMGALVRG-AWEZNQCLSA-N 0 0 257.333 3.672 10 0 CHAERN CCCCOC(=O)CN[C@@H](CCC)c1cccs1 ZINC000049544402 520712928 /nfs/dbraw/zinc/71/29/28/520712928.db2.gz IXBPLYLEPUKZER-LBPRGKRZSA-N 0 0 269.410 3.522 10 0 CHAERN CCC[C@@H](O)[C@H](CC)n1cc(-c2ccccc2)cn1 ZINC000054961760 520808316 /nfs/dbraw/zinc/80/83/16/520808316.db2.gz MJKKBWBOKXTOLK-JKSUJKDBSA-N 0 0 258.365 3.662 10 0 CHAERN CCCC[C@@H](C)NC(=O)c1cccc(Br)c1 ZINC000050889669 521005663 /nfs/dbraw/zinc/00/56/63/521005663.db2.gz YKYOIKJLSCBEBH-SNVBAGLBSA-N 0 0 284.197 3.758 10 0 CHAERN CCOC(=O)[C@@H](CC(C)(C)C)Nc1cccc(C)c1 ZINC000061840348 521047321 /nfs/dbraw/zinc/04/73/21/521047321.db2.gz UDNKUYODBIXLQB-CQSZACIVSA-N 0 0 263.381 3.775 10 0 CHAERN CCOc1ccc([C@@H](O)c2cc(C)ccc2C)cc1 ZINC000048453634 521230571 /nfs/dbraw/zinc/23/05/71/521230571.db2.gz GJEVSBNIZOJXHE-QGZVFWFLSA-N 0 0 256.345 3.784 10 0 CHAERN CCCc1cc(N)nc(-c2ccc(Cl)cc2Cl)n1 ZINC000050866597 521366025 /nfs/dbraw/zinc/36/60/25/521366025.db2.gz LBVDUPQOOJHZEE-UHFFFAOYSA-N 0 0 282.174 3.985 10 0 CHAERN CCCc1cc(NC)nc(Cc2cccc(Cl)c2)n1 ZINC000050849927 521378545 /nfs/dbraw/zinc/37/85/45/521378545.db2.gz JUVALBAOEUDFSR-UHFFFAOYSA-N 0 0 275.783 3.715 10 0 CHAERN CCOc1cccc(OCCCC(C)(C)C(N)=S)c1 ZINC000057901572 521402631 /nfs/dbraw/zinc/40/26/31/521402631.db2.gz ZXZAJKAJCTXENI-UHFFFAOYSA-N 0 0 281.421 3.557 10 0 CHAERN CCCc1ccccc1NC(=O)c1sccc1N ZINC000049551355 521445493 /nfs/dbraw/zinc/44/54/93/521445493.db2.gz AYPZVCVHWVVHRF-UHFFFAOYSA-N 0 0 260.362 3.535 10 0 CHAERN CCN(c1nc(C)c(C=O)s1)c1cccc(F)c1 ZINC000054966904 521503919 /nfs/dbraw/zinc/50/39/19/521503919.db2.gz SOSXZGNYUSFWIN-UHFFFAOYSA-N 0 0 264.325 3.561 10 0 CHAERN CCOC(=O)c1ccc(Oc2ccc(C)cc2C)nc1 ZINC000040538743 521524641 /nfs/dbraw/zinc/52/46/41/521524641.db2.gz MEELCWFGZCGUOF-UHFFFAOYSA-N 0 0 271.316 3.667 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](C)c1cccc(Cl)c1 ZINC000049526348 521569570 /nfs/dbraw/zinc/56/95/70/521569570.db2.gz BASVFJKXUQJKGW-VIFPVBQESA-N 0 0 281.812 3.782 10 0 CHAERN CCCN(Cc1ccccc1)c1cc(F)ccc1N ZINC000052120632 521687268 /nfs/dbraw/zinc/68/72/68/521687268.db2.gz OOCFRIAWZHNCRO-UHFFFAOYSA-N 0 0 258.340 3.825 10 0 CHAERN CCCN(c1ccc([C@@H](C)O)cc1Br)C1CC1 ZINC000061695227 521697158 /nfs/dbraw/zinc/69/71/58/521697158.db2.gz BOMQKIBMEZZNEL-SNVBAGLBSA-N 0 0 298.224 3.881 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000226804250 521728014 /nfs/dbraw/zinc/72/80/14/521728014.db2.gz UBJNHFKGGZCOHH-VHSXEESVSA-N 0 0 269.439 3.502 10 0 CHAERN COC[C@@H](C)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000103372857 522167973 /nfs/dbraw/zinc/16/79/73/522167973.db2.gz IQMKPLKHSRUPLG-VXGBXAGGSA-N 0 0 295.810 3.675 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000103355740 522176980 /nfs/dbraw/zinc/17/69/80/522176980.db2.gz RESRNAXGDNFJIC-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CNc1cc(COc2ccc(C(C)C)cc2)ccn1 ZINC000052734417 522568105 /nfs/dbraw/zinc/56/81/05/522568105.db2.gz QTBGZWZJDKTYCQ-UHFFFAOYSA-N 0 0 256.349 3.826 10 0 CHAERN CNc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000050745380 522597048 /nfs/dbraw/zinc/59/70/48/522597048.db2.gz MNPMVVAKLVEESJ-UHFFFAOYSA-N 0 0 274.751 3.942 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N(C)c1ccccc1 ZINC000050726113 522624427 /nfs/dbraw/zinc/62/44/27/522624427.db2.gz WENMZLXDWXXCFZ-UHFFFAOYSA-N 0 0 274.751 3.658 10 0 CHAERN CNc1nc(-c2ccc(Cl)c(Cl)c2)nc2c1CCC2 ZINC000050867572 522674707 /nfs/dbraw/zinc/67/47/07/522674707.db2.gz SKPQNYPKRCVOHV-UHFFFAOYSA-N 0 0 294.185 3.981 10 0 CHAERN CC[C@@H](Nc1cc(C(=O)NC)ccc1C)c1ccccc1 ZINC000037086660 522952935 /nfs/dbraw/zinc/95/29/35/522952935.db2.gz MJJXVTBXLMTDOQ-MRXNPFEDSA-N 0 0 282.387 3.918 10 0 CHAERN CC[C@@H](Nc1ccc(C(N)=S)cc1)c1cccs1 ZINC000049532315 522956737 /nfs/dbraw/zinc/95/67/37/522956737.db2.gz OCLVOKDLIYOELG-GFCCVEGCSA-N 0 0 276.430 3.946 10 0 CHAERN CC[C@@H](O)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000054739937 523014472 /nfs/dbraw/zinc/01/44/72/523014472.db2.gz SKIZJALUIOXSPR-CYBMUJFWSA-N 0 0 285.174 3.682 10 0 CHAERN CCn1c(C)nnc1CSCc1cc(F)ccc1Cl ZINC000187511262 523156693 /nfs/dbraw/zinc/15/66/93/523156693.db2.gz OOWXFEGAEFSBSF-UHFFFAOYSA-N 0 0 299.802 3.832 10 0 CHAERN COCCCNc1nc(-c2ccsc2)nc2ccccc21 ZINC000060846272 523379539 /nfs/dbraw/zinc/37/95/39/523379539.db2.gz XVUBPUDWQSWDRP-UHFFFAOYSA-N 0 0 299.399 3.807 10 0 CHAERN CC[C@H]1C[C@@H]1Nc1ccnc2cc(Br)cnc21 ZINC000226999679 523385752 /nfs/dbraw/zinc/38/57/52/523385752.db2.gz MXTBPCADJUFPLU-KWQFWETISA-N 0 0 292.180 3.603 10 0 CHAERN CC[C@](O)(Cc1ccc(F)cc1F)c1ccccc1 ZINC000050885531 523532085 /nfs/dbraw/zinc/53/20/85/523532085.db2.gz CXSZKGVGQUXDMO-INIZCTEOSA-N 0 0 262.299 3.805 10 0 CHAERN CC[C@@H]1C[C@H]1Nc1ccnc2cc(Br)cnc21 ZINC000226999686 523587996 /nfs/dbraw/zinc/58/79/96/523587996.db2.gz MXTBPCADJUFPLU-LDYMZIIASA-N 0 0 292.180 3.603 10 0 CHAERN CN(c1ccc(F)cc1)c1cccc(Cl)c1C(N)=S ZINC000052907778 523639315 /nfs/dbraw/zinc/63/93/15/523639315.db2.gz MADGJVHDFBXKQG-UHFFFAOYSA-N 0 0 294.782 3.881 10 0 CHAERN COc1ccc(C)cc1[C@](C)(O)c1ccccc1C ZINC000055261266 523860117 /nfs/dbraw/zinc/86/01/17/523860117.db2.gz FIFHKSGYMOGKJI-QGZVFWFLSA-N 0 0 256.345 3.568 10 0 CHAERN CCc1ccc(NC(=O)c2cccc3c2NCCC3)cc1 ZINC000050957461 523992603 /nfs/dbraw/zinc/99/26/03/523992603.db2.gz HPBXTNNJJLKLBK-UHFFFAOYSA-N 0 0 280.371 3.859 10 0 CHAERN COc1ccc(Cl)cc1Nc1ccnc(Cl)n1 ZINC000051849236 524245452 /nfs/dbraw/zinc/24/54/52/524245452.db2.gz KCNSBRDAGUWRDG-UHFFFAOYSA-N 0 0 270.119 3.536 10 0 CHAERN COc1ccc(Cl)cc1[C@@H]1CCCCC[C@@H]1O ZINC000055230164 524254778 /nfs/dbraw/zinc/25/47/78/524254778.db2.gz WLCRKEMRITZGBG-AAEUAGOBSA-N 0 0 254.757 3.757 10 0 CHAERN C[C@@H]1CCC[C@@H](CCN2CCO[C@H](c3nccs3)C2)C1 ZINC000150946400 524284033 /nfs/dbraw/zinc/28/40/33/524284033.db2.gz BFPXVGDOLSUJIQ-ILXRZTDVSA-N 0 0 294.464 3.733 10 0 CHAERN Cc1ccc(CCc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000055306049 524351520 /nfs/dbraw/zinc/35/15/20/524351520.db2.gz CWVQCPHCUNMSSU-UHFFFAOYSA-N 0 0 272.298 3.935 10 0 CHAERN Cc1cccc(COc2cccc3c2CC[C@H]3O)c1 ZINC000062800989 524450699 /nfs/dbraw/zinc/45/06/99/524450699.db2.gz BCWZNKFNVCTRGY-MRXNPFEDSA-N 0 0 254.329 3.554 10 0 CHAERN COc1ccccc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000062126564 524619105 /nfs/dbraw/zinc/61/91/05/524619105.db2.gz RFZMLDMKIYVPFX-KRWDZBQOSA-N 0 0 281.355 3.828 10 0 CHAERN C[C@H]1C[C@@H](OCCCCC(N)=S)CC(C)(C)C1 ZINC000049583125 524823002 /nfs/dbraw/zinc/82/30/02/524823002.db2.gz GZIYVCKDZPVUNM-NWDGAFQWSA-N 0 0 257.443 3.674 10 0 CHAERN Cc1ccc(N(C)Cc2ccccc2Cl)cc1N ZINC000061701504 524888616 /nfs/dbraw/zinc/88/86/16/524888616.db2.gz HRUBEAMSQPCDID-UHFFFAOYSA-N 0 0 260.768 3.867 10 0 CHAERN Cc1ccc(N(C)c2ccc([C@H](C)O)cc2F)cc1 ZINC000050005274 524890285 /nfs/dbraw/zinc/89/02/85/524890285.db2.gz WSYHCAQQZMUPQB-LBPRGKRZSA-N 0 0 259.324 3.955 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000049374023 524897943 /nfs/dbraw/zinc/89/79/43/524897943.db2.gz WVIBXRYKBUOUOD-NWDGAFQWSA-N 0 0 275.735 3.984 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000049374030 524898483 /nfs/dbraw/zinc/89/84/83/524898483.db2.gz WVIBXRYKBUOUOD-NEPJUHHUSA-N 0 0 275.735 3.984 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1cc2c(cc1Cl)OCO2 ZINC000062770264 524929878 /nfs/dbraw/zinc/92/98/78/524929878.db2.gz BNVMDIDAMGXGGG-VIFPVBQESA-N 0 0 279.723 3.705 10 0 CHAERN Cc1cc(F)ccc1[C@H](N)c1nc(C(C)C)cs1 ZINC000050580363 525007580 /nfs/dbraw/zinc/00/75/80/525007580.db2.gz DWWCKYIUHBLTQB-ZDUSSCGKSA-N 0 0 264.369 3.762 10 0 CHAERN Cc1cc(N)c(NC(=O)CCC2CCCC2)cc1C ZINC000050439023 525033734 /nfs/dbraw/zinc/03/37/34/525033734.db2.gz PENOINTXTRDQAD-UHFFFAOYSA-N 0 0 260.381 3.795 10 0 CHAERN Cc1cc(N)c2cccc(Oc3ccccc3)c2n1 ZINC000050870779 525034634 /nfs/dbraw/zinc/03/46/34/525034634.db2.gz WMIFQUWSTZAYMI-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1cc(N)cc(-c2nc(C3CCCC3)no2)c1C ZINC000062349378 525035559 /nfs/dbraw/zinc/03/55/59/525035559.db2.gz NPLLWWZIPOJUKR-UHFFFAOYSA-N 0 0 257.337 3.593 10 0 CHAERN Cc1ccccc1N1C(=O)C(F)(F)[C@@H]1c1ccccc1 ZINC000040539811 525219676 /nfs/dbraw/zinc/21/96/76/525219676.db2.gz VTSBLWSPCBPTQJ-AWEZNQCLSA-N 0 0 273.282 3.718 10 0 CHAERN Cc1ccccc1NC(=O)c1cccc2c1NCCC2 ZINC000050957594 525264450 /nfs/dbraw/zinc/26/44/50/525264450.db2.gz UAGPWQCDQLRALS-UHFFFAOYSA-N 0 0 266.344 3.605 10 0 CHAERN Cc1cc(Oc2ccc(Br)cc2C)nc(C)n1 ZINC000063063238 525385203 /nfs/dbraw/zinc/38/52/03/525385203.db2.gz JNLVGUVZCVLPAH-UHFFFAOYSA-N 0 0 293.164 3.957 10 0 CHAERN Cc1cc([C@@H](NC(C)C)c2nccs2)ccc1F ZINC000050559450 525481842 /nfs/dbraw/zinc/48/18/42/525481842.db2.gz FWEYYQKNPOXAJJ-CYBMUJFWSA-N 0 0 264.369 3.678 10 0 CHAERN Cc1cccnc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000131185196 525542108 /nfs/dbraw/zinc/54/21/08/525542108.db2.gz XNVCDISLGCKWFI-KBPBESRZSA-N 0 0 258.365 3.545 10 0 CHAERN CSC[C@@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000066755188 525612876 /nfs/dbraw/zinc/61/28/76/525612876.db2.gz HJQHAXHCCOYSTQ-ZJUUUORDSA-N 0 0 271.813 3.516 10 0 CHAERN C[C@H](Nc1nc(Cl)nc(Cl)n1)C1CCCCC1 ZINC000061519209 525678724 /nfs/dbraw/zinc/67/87/24/525678724.db2.gz VXQGIJSDKLYZGO-ZETCQYMHSA-N 0 0 275.183 3.559 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)Cc2cccs2)o1 ZINC000077687908 525710089 /nfs/dbraw/zinc/71/00/89/525710089.db2.gz JTCUYKMPYAPQQA-ZYHUDNBSSA-N 0 0 292.404 3.641 10 0 CHAERN Cc1ccc(-c2cc(NC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000045949771 525733770 /nfs/dbraw/zinc/73/37/70/525733770.db2.gz LMZMGHLHLINKTF-UHFFFAOYSA-N 0 0 273.336 3.732 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cc(Cl)nc(C)n2)o1 ZINC000052836731 525751378 /nfs/dbraw/zinc/75/13/78/525751378.db2.gz BYGLUWNDCCYJLW-MRVPVSSYSA-N 0 0 251.717 3.513 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccco2)o1 ZINC000127690646 525803236 /nfs/dbraw/zinc/80/32/36/525803236.db2.gz YMHWWLTTXXFEAI-LBPRGKRZSA-N 0 0 259.305 3.548 10 0 CHAERN Cc1c(N)cccc1N1CCc2sccc2[C@@H]1C ZINC000062725116 525819967 /nfs/dbraw/zinc/81/99/67/525819967.db2.gz JWVHDVMYOAKUHY-NSHDSACASA-N 0 0 258.390 3.762 10 0 CHAERN Cc1ccc(-c2nc([C@@H]3CCCCS3)no2)c(O)c1 ZINC000161652645 525820904 /nfs/dbraw/zinc/82/09/04/525820904.db2.gz AJQPFZOZIOXUDZ-LBPRGKRZSA-N 0 0 276.361 3.709 10 0 CHAERN C[C@H](O)c1ccccc1NC(=O)c1ccc(Cl)s1 ZINC000049549952 525860881 /nfs/dbraw/zinc/86/08/81/525860881.db2.gz LNQRDHAOWCYQBG-QMMMGPOBSA-N 0 0 281.764 3.707 10 0 CHAERN C[C@@H](O)c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000054933286 525869339 /nfs/dbraw/zinc/86/93/39/525869339.db2.gz QHDSFBFJVWSRJF-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN C[C@@H](O)c1ccccc1N(C)Cc1ccccc1F ZINC000048874109 525871299 /nfs/dbraw/zinc/87/12/99/525871299.db2.gz REZRGHSLXPTURM-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN C[C@@H](O)c1ccccc1Oc1cc(F)cc(F)c1 ZINC000054933277 525874126 /nfs/dbraw/zinc/87/41/26/525874126.db2.gz VYZOGWQRRGAJRL-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCc3occc32)o1 ZINC000119441077 525903302 /nfs/dbraw/zinc/90/33/02/525903302.db2.gz CQNPABZQHQMNAU-WCQYABFASA-N 0 0 288.347 3.619 10 0 CHAERN Cc1ccc([C@H](C)N[C@H](C)c2nc3ccccc3n2C)o1 ZINC000036960062 525943350 /nfs/dbraw/zinc/94/33/50/525943350.db2.gz MXKNQMICFDXBML-QWHCGFSZSA-N 0 0 283.375 3.887 10 0 CHAERN C[C@@H](c1cccc(F)c1)n1c(C2CC2)n[nH]c1=S ZINC000049531435 526072372 /nfs/dbraw/zinc/07/23/72/526072372.db2.gz NZUYATJVCDUXHH-QMMMGPOBSA-N 0 0 263.341 3.566 10 0 CHAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)o1 ZINC000127818798 526091783 /nfs/dbraw/zinc/09/17/83/526091783.db2.gz XERMDASGQKKROY-CYBMUJFWSA-N 0 0 273.332 3.857 10 0 CHAERN Cc1ccc(C(C)C)cc1OCCCCC(N)=S ZINC000049583212 526249824 /nfs/dbraw/zinc/24/98/24/526249824.db2.gz KSGYLIFZGHBCMR-UHFFFAOYSA-N 0 0 265.422 3.954 10 0 CHAERN O[C@H](Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000049346733 526295251 /nfs/dbraw/zinc/29/52/51/526295251.db2.gz AXWAZSWRJDXWMI-CQSZACIVSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@H](Cc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000050885751 526296528 /nfs/dbraw/zinc/29/65/28/526296528.db2.gz CXCMENDSIPCGHX-CQSZACIVSA-N 0 0 270.225 3.519 10 0 CHAERN Cc1csc(-c2ccc(NC(=O)N[C@H]3C[C@H]3C)cc2)n1 ZINC000076037148 526301691 /nfs/dbraw/zinc/30/16/91/526301691.db2.gz QNLHRCCWYBIKTN-RNCFNFMXSA-N 0 0 287.388 3.648 10 0 CHAERN Cc1csc(CNc2nc3cc(C)ccc3s2)n1 ZINC000049534238 526362827 /nfs/dbraw/zinc/36/28/27/526362827.db2.gz HCUFEVVKBYLOLH-UHFFFAOYSA-N 0 0 275.402 3.982 10 0 CHAERN Cc1nnc(Sc2nc(Cl)nc3ccccc32)s1 ZINC000052811974 526391867 /nfs/dbraw/zinc/39/18/67/526391867.db2.gz DEOFTLVLPHSJHI-UHFFFAOYSA-N 0 0 294.792 3.594 10 0 CHAERN c1[nH]c2ccccc2c1CNc1ccc2c(c1)OCO2 ZINC000048936969 526392447 /nfs/dbraw/zinc/39/24/47/526392447.db2.gz QBWMVCWCENVGRU-UHFFFAOYSA-N 0 0 266.300 3.509 10 0 CHAERN c1cc(N2CCCCC2)ccc1NCC1CCOCC1 ZINC000060393425 526431110 /nfs/dbraw/zinc/43/11/10/526431110.db2.gz YOJSCOBIYAFKHT-UHFFFAOYSA-N 0 0 274.408 3.515 10 0 CHAERN Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125227527 526473809 /nfs/dbraw/zinc/47/38/09/526473809.db2.gz GHWLCJYKIQTQMV-BONVTDFDSA-N 0 0 284.359 3.660 10 0 CHAERN O=C(c1cc(F)cc(F)c1)C1(c2ccccc2)CC1 ZINC000062780469 526618412 /nfs/dbraw/zinc/61/84/12/526618412.db2.gz JOINIRWQUPLERA-UHFFFAOYSA-N 0 0 258.267 3.879 10 0 CHAERN Brc1ccc(N[C@H]2CCc3ccccc32)nc1 ZINC000301331164 526643304 /nfs/dbraw/zinc/64/33/04/526643304.db2.gz AIPNGWWTNMRJDT-ZDUSSCGKSA-N 0 0 289.176 3.944 10 0 CHAERN O=C(c1ccc2ccccc2n1)c1ccccc1F ZINC000063075583 526735008 /nfs/dbraw/zinc/73/50/08/526735008.db2.gz OOXWYEASSFGVQW-UHFFFAOYSA-N 0 0 251.260 3.605 10 0 CHAERN CC(C)(C)n1cc(-c2nc(C(C)(C)C3CCC3)no2)cn1 ZINC000333243016 526908609 /nfs/dbraw/zinc/90/86/09/526908609.db2.gz QMAPAYJMVQEMJZ-UHFFFAOYSA-N 0 0 288.395 3.766 10 0 CHAERN Clc1cc(COCCc2cccs2)ccn1 ZINC000052726756 526927090 /nfs/dbraw/zinc/92/70/90/526927090.db2.gz GDHKKSHDPDCOEB-UHFFFAOYSA-N 0 0 253.754 3.556 10 0 CHAERN Clc1cc(Cl)c(NCCn2cccn2)c(Cl)c1 ZINC000049314243 526927709 /nfs/dbraw/zinc/92/77/09/526927709.db2.gz GQZIAHPWXLTKOQ-UHFFFAOYSA-N 0 0 290.581 3.955 10 0 CHAERN Cc1nc(Cc2nc3sccc3c(Cl)n2)cs1 ZINC000055273389 526929166 /nfs/dbraw/zinc/92/91/66/526929166.db2.gz LQMSGNNZUOEZGB-UHFFFAOYSA-N 0 0 281.793 3.700 10 0 CHAERN Clc1cccc(Cc2nc(-c3ccccc3)n[nH]2)c1 ZINC000052945168 526977932 /nfs/dbraw/zinc/97/79/32/526977932.db2.gz NJWFNAAUNOUWBY-UHFFFAOYSA-N 0 0 269.735 3.716 10 0 CHAERN Clc1cccc(N[C@@H]2CCOc3ccccc32)n1 ZINC000070154344 526981325 /nfs/dbraw/zinc/98/13/25/526981325.db2.gz VIBAIKFJNCYYME-LLVKDONJSA-N 0 0 260.724 3.671 10 0 CHAERN Clc1nc(Cc2cccs2)nc2sccc21 ZINC000052899571 527003682 /nfs/dbraw/zinc/00/36/82/527003682.db2.gz CNSAYIDDANUGFJ-UHFFFAOYSA-N 0 0 266.778 3.997 10 0 CHAERN Clc1nnc(OCc2cccs2)c2ccccc12 ZINC000050528855 527011744 /nfs/dbraw/zinc/01/17/44/527011744.db2.gz ZKMNBSDFZNFVJZ-UHFFFAOYSA-N 0 0 276.748 3.924 10 0 CHAERN Cc1nc([C@@H](C)N[C@H](C)c2cccs2)cs1 ZINC000036915425 527034569 /nfs/dbraw/zinc/03/45/69/527034569.db2.gz NCQJOVRPIIUBNA-RKDXNWHRSA-N 0 0 252.408 3.925 10 0 CHAERN O=C1N(c2ccc(F)cc2)[C@H](c2ccccc2)C1(F)F ZINC000040539813 527039609 /nfs/dbraw/zinc/03/96/09/527039609.db2.gz WFKUGOIEPULITO-CYBMUJFWSA-N 0 0 277.245 3.549 10 0 CHAERN O=Cc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000061798367 527154571 /nfs/dbraw/zinc/15/45/71/527154571.db2.gz XLABDFGHWSDPHD-UHFFFAOYSA-N 0 0 257.236 3.641 10 0 CHAERN O=C(Nc1ccc(F)cc1F)c1cccc2c1NCCC2 ZINC000050957453 527212688 /nfs/dbraw/zinc/21/26/88/527212688.db2.gz GMZCKXPHDYFZQC-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN O=C(Cc1ccc(F)cc1F)c1cc(F)cc(F)c1 ZINC000050885691 527234773 /nfs/dbraw/zinc/23/47/73/527234773.db2.gz VZTWTRNUIAOUFI-UHFFFAOYSA-N 0 0 268.209 3.668 10 0 CHAERN NNc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000051089750 527284711 /nfs/dbraw/zinc/28/47/11/527284711.db2.gz IMYMFOYWESEKKA-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Cn1cccc1C(=O)Cn1cc(Cl)c2ccccc21 ZINC000055310433 527385443 /nfs/dbraw/zinc/38/54/43/527385443.db2.gz JRNKHSMSVNQTTE-UHFFFAOYSA-N 0 0 272.735 3.516 10 0 CHAERN Nc1c(Cl)ncnc1Oc1ccc(C(F)(F)F)cc1 ZINC000062365119 527433756 /nfs/dbraw/zinc/43/37/56/527433756.db2.gz SRLWDNYCLOEJBF-UHFFFAOYSA-N 0 0 289.644 3.523 10 0 CHAERN Nc1ccc(SC2CCOCC2)c(C(F)(F)F)c1 ZINC000062053805 527499783 /nfs/dbraw/zinc/49/97/83/527499783.db2.gz KGAVBLBNMZCIMD-UHFFFAOYSA-N 0 0 277.311 3.559 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2-c1ccc(F)cc1 ZINC000052842901 527507683 /nfs/dbraw/zinc/50/76/83/527507683.db2.gz NFZBYZFUPSMVIG-UHFFFAOYSA-N 0 0 267.307 3.624 10 0 CHAERN Nc1cccc(Cl)c1SCCCOCC(F)(F)F ZINC000049312604 527518829 /nfs/dbraw/zinc/51/88/29/527518829.db2.gz IILBHFRPTKGSEL-UHFFFAOYSA-N 0 0 299.745 3.983 10 0 CHAERN O[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055202872 527645411 /nfs/dbraw/zinc/64/54/11/527645411.db2.gz WOKWUAABKUBKNG-QMMMGPOBSA-N 0 0 258.161 3.691 10 0 CHAERN O[C@@H](Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000054445933 527664463 /nfs/dbraw/zinc/66/44/63/527664463.db2.gz YTANGBAHLQQWCV-NSHDSACASA-N 0 0 256.223 3.575 10 0 CHAERN FC(F)(F)c1cc2ncoc2c(Br)c1 ZINC000062540309 527681191 /nfs/dbraw/zinc/68/11/91/527681191.db2.gz QNDCIHZMIKDYCR-UHFFFAOYSA-N 0 0 266.016 3.609 10 0 CHAERN O[C@@H]1CCc2c1cccc2OCc1ccc(Cl)s1 ZINC000062800891 527677959 /nfs/dbraw/zinc/67/79/59/527677959.db2.gz ITCMUJQPBBZGNW-GFCCVEGCSA-N 0 0 280.776 3.960 10 0 CHAERN O[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000055202869 527682737 /nfs/dbraw/zinc/68/27/37/527682737.db2.gz WOKWUAABKUBKNG-MRVPVSSYSA-N 0 0 258.161 3.691 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000087406546 527697459 /nfs/dbraw/zinc/69/74/59/527697459.db2.gz XGXKEYSTFOSTSK-SECBINFHSA-N 0 0 299.296 3.800 10 0 CHAERN CC(C)n1ccnc1CSc1ccc(N)cc1Cl ZINC000347735881 528607048 /nfs/dbraw/zinc/60/70/48/528607048.db2.gz KCLZMOURNIKCSU-UHFFFAOYSA-N 0 0 281.812 3.992 10 0 CHAERN CC1(C)CCC(c2noc([C@@]3(C)CCC(=O)NC3)n2)CC1 ZINC000329659107 528909421 /nfs/dbraw/zinc/90/94/21/528909421.db2.gz HNXSNWDNUMXVKX-INIZCTEOSA-N 0 0 291.395 3.761 10 0 CHAERN CC[C@@H]1CC[C@H](c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)O1 ZINC000329703579 529343607 /nfs/dbraw/zinc/34/36/07/529343607.db2.gz IKESLIRMOFYETK-REWJHTLYSA-N 0 0 294.395 3.795 10 0 CHAERN Nc1c(F)ccc(-c2ncccc2C(F)(F)F)c1F ZINC000675058839 570365461 /nfs/dbraw/zinc/36/54/61/570365461.db2.gz AMKLRFXUAPAHBC-UHFFFAOYSA-N 0 0 274.192 3.628 10 0 CHAERN O=Cc1cncc(-c2c(Cl)cccc2Cl)c1 ZINC000381045951 570412432 /nfs/dbraw/zinc/41/24/32/570412432.db2.gz GZVZKSCGXUVTGA-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN Nc1c(F)ccc(-c2cc(F)c(F)c(F)c2)c1F ZINC000675056977 567021880 /nfs/dbraw/zinc/02/18/80/567021880.db2.gz SQOUZLMQDYFNLI-UHFFFAOYSA-N 0 0 259.177 3.631 10 0 CHAERN Cc1ccc(N(O)CCC(=O)/C=C/c2ccccc2)cc1 ZINC000048524317 567090158 /nfs/dbraw/zinc/09/01/58/567090158.db2.gz DRRORBSGSQSBRS-FMIVXFBMSA-N 0 0 281.355 3.863 10 0 CHAERN COc1ccc(-c2c(C)nnc3ccccc32)cc1 ZINC000048564379 567091654 /nfs/dbraw/zinc/09/16/54/567091654.db2.gz KOPMFXCFMHXAFY-UHFFFAOYSA-N 0 0 250.301 3.614 10 0 CHAERN CCCc1nc2cccc(Br)c2cc1O ZINC000685963059 567210617 /nfs/dbraw/zinc/21/06/17/567210617.db2.gz FWPFKXLASGLPIJ-UHFFFAOYSA-N 0 0 266.138 3.655 10 0 CHAERN Oc1cc2ccc(Br)cc2nc1C(F)(F)F ZINC000685963541 567210624 /nfs/dbraw/zinc/21/06/24/567210624.db2.gz RSWDSPJEPQNCFP-UHFFFAOYSA-N 0 0 292.054 3.722 10 0 CHAERN Oc1cc2cccc(Br)c2nc1C(F)(F)F ZINC000685963564 567210601 /nfs/dbraw/zinc/21/06/01/567210601.db2.gz SOJDEFVRFBVBDH-UHFFFAOYSA-N 0 0 292.054 3.722 10 0 CHAERN CCCCOc1ccc(-c2csc(N)n2)cc1F ZINC000058823226 567217503 /nfs/dbraw/zinc/21/75/03/567217503.db2.gz KCLZSQLBKQGNPE-UHFFFAOYSA-N 0 0 266.341 3.710 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000139282083 567860757 /nfs/dbraw/zinc/86/07/57/567860757.db2.gz DYMROBVXGSLPAY-XRJZGPCZSA-N 0 0 288.431 3.735 10 0 CHAERN C[C@@H]1CCn2nc(C3CCCC3)c(Br)c2N1 ZINC000235397589 567884235 /nfs/dbraw/zinc/88/42/35/567884235.db2.gz NOYMLBRPQKOCRI-MRVPVSSYSA-N 0 0 284.201 3.507 10 0 CHAERN CCc1ccc([C@@H](C)NCc2nc(C)c(C)o2)cc1 ZINC000038012755 567890397 /nfs/dbraw/zinc/89/03/97/567890397.db2.gz DBVBSLDCXYWWGI-GFCCVEGCSA-N 0 0 258.365 3.705 10 0 CHAERN Cc1c(Br)c(-c2ccncc2)nn1CC(C)C ZINC000409443560 567899852 /nfs/dbraw/zinc/89/98/52/567899852.db2.gz PPXSEOMUBUIONK-UHFFFAOYSA-N 0 0 294.196 3.672 10 0 CHAERN COc1cccc2c1N[C@H](C)C[C@H]2CC(=O)OC(C)(C)C ZINC000725253668 567911248 /nfs/dbraw/zinc/91/12/48/567911248.db2.gz DSZJNZXOYZERAU-NEPJUHHUSA-N 0 0 291.391 3.715 10 0 CHAERN CCc1ccc2c(c1)[C@@H](CC(=O)OC(C)(C)C)CCN2 ZINC000725253757 567911328 /nfs/dbraw/zinc/91/13/28/567911328.db2.gz KBCQBYSUXVUSSX-CYBMUJFWSA-N 0 0 275.392 3.880 10 0 CHAERN Fc1cc2snc(Cl)c2cc1Br ZINC000725254173 567912890 /nfs/dbraw/zinc/91/28/90/567912890.db2.gz PPWCXBKSCUIHCQ-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN CCC(C)(C)[C@@H]1CCc2nc(Cl)cc(CO)c2C1 ZINC000725260768 567917261 /nfs/dbraw/zinc/91/72/61/567917261.db2.gz VXJFGEJVRULYQO-LLVKDONJSA-N 0 0 267.800 3.768 10 0 CHAERN CC(C)[C@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265480 567923145 /nfs/dbraw/zinc/92/31/45/567923145.db2.gz GTLIVFBFRWRTPN-LBPRGKRZSA-N 0 0 258.340 3.977 10 0 CHAERN CCC[C@@H]1CCc2[nH]nc(-c3cccc(N)c3)c2C1 ZINC000725265471 567923367 /nfs/dbraw/zinc/92/33/67/567923367.db2.gz FVXDDXFLPDNYJO-LLVKDONJSA-N 0 0 255.365 3.564 10 0 CHAERN NNc1cc2cc(Cl)ccc2nc1C1CCCC1 ZINC000725268438 567924119 /nfs/dbraw/zinc/92/41/19/567924119.db2.gz QTTDDVJMKKGJKJ-UHFFFAOYSA-N 0 0 261.756 3.831 10 0 CHAERN CCn1cc(C(F)F)c(-c2cnc(Cl)s2)n1 ZINC000725270172 567924848 /nfs/dbraw/zinc/92/48/48/567924848.db2.gz IAAAESJXEVKOSL-UHFFFAOYSA-N 0 0 263.700 3.618 10 0 CHAERN CNc1ncc(-c2ccccc2F)cc1C(F)(F)F ZINC000584881083 570229084 /nfs/dbraw/zinc/22/90/84/570229084.db2.gz NISQPRLFLHTEPT-UHFFFAOYSA-N 0 0 270.229 3.948 10 0 CHAERN CCNc1c(N)cnc2c(Cl)c(Cl)ccc21 ZINC000584882591 570229407 /nfs/dbraw/zinc/22/94/07/570229407.db2.gz LHMYYGOYDDFKDA-UHFFFAOYSA-N 0 0 256.136 3.556 10 0 CHAERN CN(Cc1ccccc1N)c1nc2ccccc2s1 ZINC000037672824 570234246 /nfs/dbraw/zinc/23/42/46/570234246.db2.gz GRAHWKSJAJVUNW-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN CC(C)Cc1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243194 570255041 /nfs/dbraw/zinc/25/50/41/570255041.db2.gz PCTUBTFWKOJAJK-UHFFFAOYSA-N 0 0 277.677 3.600 10 0 CHAERN Brc1ccccc1[C@@H]1NCCc2sccc21 ZINC000397232897 570290077 /nfs/dbraw/zinc/29/00/77/570290077.db2.gz SGLPHUNJSIOOIX-ZDUSSCGKSA-N 0 0 294.217 3.746 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]2C(=O)C3(CCCC3)[C@@H]21 ZINC000669384657 570353138 /nfs/dbraw/zinc/35/31/38/570353138.db2.gz ZIBVGWDPPSLZNT-QWHCGFSZSA-N 0 0 293.407 3.535 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]2C(=O)C3(CCCC3)[C@H]21 ZINC000669384658 570353143 /nfs/dbraw/zinc/35/31/43/570353143.db2.gz ZIBVGWDPPSLZNT-STQMWFEESA-N 0 0 293.407 3.535 10 0 CHAERN Nc1c(F)ccc(-c2ccccc2Br)c1F ZINC000675056321 570364358 /nfs/dbraw/zinc/36/43/58/570364358.db2.gz HKJGLLMRQQNARU-UHFFFAOYSA-N 0 0 284.103 3.977 10 0 CHAERN CCC(C)(CC)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685958559 570406338 /nfs/dbraw/zinc/40/63/38/570406338.db2.gz WOWRCAAHFWBMFG-ZDUSSCGKSA-N 0 0 291.391 3.697 10 0 CHAERN CC(C)=C(C)CCC(=O)CNC(=O)OCc1ccccc1 ZINC000685959651 570406902 /nfs/dbraw/zinc/40/69/02/570406902.db2.gz OLXSHSFJAIRNKS-UHFFFAOYSA-N 0 0 289.375 3.618 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)s1 ZINC000187012083 1126907980 /nfs/dbraw/zinc/90/79/80/1126907980.db2.gz VBUWGHVMQWZTJA-LBPRGKRZSA-N 0 0 292.429 3.799 10 0 CHAERN O=C(c1ccc([O-])c(Cl)c1)N1CCC12CCCCC2 ZINC000373049951 1127821088 /nfs/dbraw/zinc/82/10/88/1127821088.db2.gz SYWVDDMGZNCJRJ-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN FC1(F)CC[C@H](c2noc([C@H]3C[C@H]3c3cccnc3)n2)C1 ZINC000374084153 1127872571 /nfs/dbraw/zinc/87/25/71/1127872571.db2.gz OLVYXTSYOYRLOX-DLOVCJGASA-N 0 0 291.301 3.639 10 0 CHAERN CCc1cc(NC(=O)/C=C\c2cccnc2)ccc1C ZINC000588395395 1118526618 /nfs/dbraw/zinc/52/66/18/1118526618.db2.gz HOPBZQUVHFJIGR-CLFYSBASSA-N 0 0 266.344 3.604 10 0 CHAERN CC/C=C(/C)C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000588424253 1118667572 /nfs/dbraw/zinc/66/75/72/1118667572.db2.gz HMGZPMNTUWBYHX-UITAMQMPSA-N 0 0 265.740 3.837 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000588449063 1118789103 /nfs/dbraw/zinc/78/91/03/1118789103.db2.gz AFWSDXLQFCRMPE-CJZJOXGVSA-N 0 0 294.778 3.852 10 0 CHAERN CC[C@@H](NC(=O)/C=C\c1ncccc1C)c1ccc(C)cc1 ZINC000588451530 1118797238 /nfs/dbraw/zinc/79/72/38/1118797238.db2.gz KGXDZGQIHZHVOD-WFTPILKQSA-N 0 0 294.398 3.979 10 0 CHAERN Cc1cccnc1/C=C\C(=O)NC1CCCCCCC1 ZINC000588452316 1118798853 /nfs/dbraw/zinc/79/88/53/1118798853.db2.gz UYSRJPXLPNBQAJ-QXMHVHEDSA-N 0 0 272.392 3.632 10 0 CHAERN Cc1cc(C)cc([C@H](C)NC(=O)/C=C\c2ncccc2C)c1 ZINC000588452864 1118799455 /nfs/dbraw/zinc/79/94/55/1118799455.db2.gz AOKKZAWIBXAIRC-PTZVLDCSSA-N 0 0 294.398 3.897 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000588453779 1118799898 /nfs/dbraw/zinc/79/98/98/1118799898.db2.gz VSPGHHOTLDLSHB-QWGSZXSUSA-N 0 0 286.419 3.688 10 0 CHAERN CCC(C)(C)[C@@H]1CCCN1C(=O)/C=C\c1scnc1C ZINC000588519729 1119086620 /nfs/dbraw/zinc/08/66/20/1119086620.db2.gz OZDUBIZSMUBFEU-CKXPSTMWSA-N 0 0 292.448 3.892 10 0 CHAERN C[C@H](OC(=O)/C=C\c1ccncn1)c1cc2ccccc2o1 ZINC000588556842 1119240981 /nfs/dbraw/zinc/24/09/81/1119240981.db2.gz NHZQPOQXTRHHAX-DGMVEKRQSA-N 0 0 294.310 3.540 10 0 CHAERN Cn1ccc2cccc(NC(=O)/C=C\C(C)(C)C)c21 ZINC000588564120 1119272840 /nfs/dbraw/zinc/27/28/40/1119272840.db2.gz OZZIPJBOSDHONR-NTMALXAHSA-N 0 0 256.349 3.719 10 0 CHAERN CC(C)(C)/C=C\C(=O)NCc1ccc(C2CC2)cc1 ZINC000588583927 1119421305 /nfs/dbraw/zinc/42/13/05/1119421305.db2.gz CXCTUEQJIIWYNE-KHPPLWFESA-N 0 0 257.377 3.783 10 0 CHAERN C[C@H]1CCSCCN1C(=O)/C=C\c1ccccc1Cl ZINC000588586251 1119432232 /nfs/dbraw/zinc/43/22/32/1119432232.db2.gz PHEUHJJRZWWFOR-DGMVEKRQSA-N 0 0 295.835 3.707 10 0 CHAERN CSc1cccc(N(C)C(=O)c2ccc(C)nc2C)c1 ZINC000101838000 1119733996 /nfs/dbraw/zinc/73/39/96/1119733996.db2.gz VRQDVXQTUCJQSV-UHFFFAOYSA-N 0 0 286.400 3.697 10 0 CHAERN Clc1sccc1N[C@@H]1CCC12CCOCC2 ZINC000309520724 1120317845 /nfs/dbraw/zinc/31/78/45/1120317845.db2.gz UBCZMXPTSMWSOW-SNVBAGLBSA-N 0 0 257.786 3.773 10 0 CHAERN Clc1sccc1N[C@H]1CCC12CCOCC2 ZINC000309520720 1120318426 /nfs/dbraw/zinc/31/84/26/1120318426.db2.gz UBCZMXPTSMWSOW-JTQLQIEISA-N 0 0 257.786 3.773 10 0 CHAERN Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000000243500 1122599728 /nfs/dbraw/zinc/59/97/28/1122599728.db2.gz YCGNTYGRSNDVDD-JKSUJKDBSA-N 0 0 251.329 3.737 10 0 CHAERN Cc1cc(F)ccc1[C@@H]1NC(=O)c2ccc(Cl)cc2N1 ZINC000101588048 1122833098 /nfs/dbraw/zinc/83/30/98/1122833098.db2.gz FQKSUTLJBSYLEP-AWEZNQCLSA-N 0 0 290.725 3.642 10 0 CHAERN CCN(Cn1nc(C(C)C)n(C)c1=S)C1CCCCC1 ZINC000101901686 1122865142 /nfs/dbraw/zinc/86/51/42/1122865142.db2.gz WCEVVRKFHHZBBH-UHFFFAOYSA-N 0 0 296.484 3.687 10 0 CHAERN CC(C)CC(=O)O[C@H](C)c1cnc2ccccc2c1 ZINC000102133420 1122885051 /nfs/dbraw/zinc/88/50/51/1122885051.db2.gz RJCKTWUDVVJKHX-GFCCVEGCSA-N 0 0 257.333 3.885 10 0 CHAERN O=C(OCc1cccnc1Cl)c1cccc2ncccc21 ZINC000105512615 1123053999 /nfs/dbraw/zinc/05/39/99/1123053999.db2.gz RJTQWEOYTPIKGU-UHFFFAOYSA-N 0 0 298.729 3.640 10 0 CHAERN COc1ccsc1C(=O)Oc1ccccc1Cl ZINC000105938986 1123085904 /nfs/dbraw/zinc/08/59/04/1123085904.db2.gz ZLJJLMVNYRAACR-UHFFFAOYSA-N 0 0 268.721 3.629 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000335676515 1123393054 /nfs/dbraw/zinc/39/30/54/1123393054.db2.gz QVDLRHILNQIYPN-NSHDSACASA-N 0 0 293.798 3.840 10 0 CHAERN C[C@H]1C[C@H](c2nc(-c3ccon3)no2)CC(C)(C)C1 ZINC000329744110 1123652465 /nfs/dbraw/zinc/65/24/65/1123652465.db2.gz XPUOTPJMPQMLMU-UWVGGRQHSA-N 0 0 261.325 3.654 10 0 CHAERN C[C@@H](NC(=O)C1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000101811438 1123924705 /nfs/dbraw/zinc/92/47/05/1123924705.db2.gz HIEONHPGVJIDJN-GFCCVEGCSA-N 0 0 289.375 3.563 10 0 CHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2nc(C)ns2)o1 ZINC000301967746 1123947034 /nfs/dbraw/zinc/94/70/34/1123947034.db2.gz WTHGESJUGITMJW-JOYOIKCWSA-N 0 0 277.393 3.726 10 0 CHAERN Cc1occc1CN(C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101727002 1125410005 /nfs/dbraw/zinc/41/00/05/1125410005.db2.gz DSQQYYMPUTUKMF-LBPRGKRZSA-N 0 0 297.358 3.831 10 0 CHAERN O=C1CCC(F)(F)c2ccc(Br)cc21 ZINC000095643128 185017479 /nfs/dbraw/zinc/01/74/79/185017479.db2.gz ZPJLEKVEBRLIAW-UHFFFAOYSA-N 0 0 261.065 3.517 10 0 CHAERN CC(C)(C)c1cc(OC2CC2)cc(Br)n1 ZINC000095720731 185019178 /nfs/dbraw/zinc/01/91/78/185019178.db2.gz YMSJDZQCEQUIPV-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)(C)c1cncc(OC2CC2)c1Br ZINC000095720984 185019225 /nfs/dbraw/zinc/01/92/25/185019225.db2.gz BBJUGSHGDKLFOX-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)(C)c1ccnc(Br)c1OC1CC1 ZINC000095724387 185021173 /nfs/dbraw/zinc/02/11/73/185021173.db2.gz IKAGLJIAIPJSCD-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1c(Br)cncc1OC1CC1 ZINC000095726436 185021889 /nfs/dbraw/zinc/02/18/89/185021889.db2.gz YZWLOHSTNTYYOG-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CCc1nc(Cl)cc(N[C@@H](C)c2ccc(OC)cc2)n1 ZINC000082509520 178076156 /nfs/dbraw/zinc/07/61/56/178076156.db2.gz AIEUIOQBNBBFNZ-JTQLQIEISA-N 0 0 291.782 3.874 10 0 CHAERN Cc1cc(Br)c2nc(C(C)C)cn2c1 ZINC000082556193 178092502 /nfs/dbraw/zinc/09/25/02/178092502.db2.gz DOCNIMWGPWEUQN-UHFFFAOYSA-N 0 0 253.143 3.529 10 0 CHAERN Cc1csc(Cc2cccc(Br)c2)n1 ZINC000082574193 178114165 /nfs/dbraw/zinc/11/41/65/178114165.db2.gz FDBKRTNQJAZSLJ-UHFFFAOYSA-N 0 0 268.179 3.805 10 0 CHAERN Cc1ccc(OC(=S)c2ccc(Cl)nc2)cc1 ZINC000095932842 185032578 /nfs/dbraw/zinc/03/25/78/185032578.db2.gz FTUKFYNXCPZQRG-UHFFFAOYSA-N 0 0 263.749 3.798 10 0 CHAERN COC(=O)CC[C@H](Nc1ccc(Cl)cc1)C(F)(F)F ZINC000095930848 185032936 /nfs/dbraw/zinc/03/29/36/185032936.db2.gz ZISZOHHLWGIICB-JTQLQIEISA-N 0 0 295.688 3.636 10 0 CHAERN O=C(/C=C\c1ccc(F)c(Cl)c1)NC1CCCC1 ZINC000095938481 185035364 /nfs/dbraw/zinc/03/53/64/185035364.db2.gz NNKWYNFZNRNSKT-VURMDHGXSA-N 0 0 267.731 3.551 10 0 CHAERN Fc1ccc([C@@H](Nc2ccccn2)c2ccncc2)cc1 ZINC000082712609 178225424 /nfs/dbraw/zinc/22/54/24/178225424.db2.gz DSRDKEASWUPQTM-QGZVFWFLSA-N 0 0 279.318 3.817 10 0 CHAERN Fc1ccc([C@H](Nc2ccccn2)c2ccncc2)cc1 ZINC000082712608 178225452 /nfs/dbraw/zinc/22/54/52/178225452.db2.gz DSRDKEASWUPQTM-KRWDZBQOSA-N 0 0 279.318 3.817 10 0 CHAERN CN[C@H](Cc1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000082717603 178232342 /nfs/dbraw/zinc/23/23/42/178232342.db2.gz BAZGCUFJVYIJBV-GFCCVEGCSA-N 0 0 259.315 3.677 10 0 CHAERN C[C@H](CNc1nc2ccccc2[nH]1)c1ccccc1 ZINC000083385229 178392928 /nfs/dbraw/zinc/39/29/28/178392928.db2.gz MKMYLKDAPMIHDU-GFCCVEGCSA-N 0 0 251.333 3.779 10 0 CHAERN Oc1ccc(CNc2ccccc2Cl)cc1F ZINC000083385628 178394731 /nfs/dbraw/zinc/39/47/31/178394731.db2.gz GWYKKNQAZDLNCB-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN O=C(Cc1ccco1)c1ccc(Br)s1 ZINC000096919049 185129784 /nfs/dbraw/zinc/12/97/84/185129784.db2.gz BYEHAXVPBGPFME-UHFFFAOYSA-N 0 0 271.135 3.529 10 0 CHAERN CC[C@H](Nc1cc(C)c(C)nn1)c1ccc(OC)cc1 ZINC000302303519 529674705 /nfs/dbraw/zinc/67/47/05/529674705.db2.gz NKTJORYOSGLLNU-HNNXBMFYSA-N 0 0 271.364 3.665 10 0 CHAERN CN(c1ncc(Cl)cn1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000301545866 530038487 /nfs/dbraw/zinc/03/84/87/530038487.db2.gz DKBPPVIFYMQODQ-AWEZNQCLSA-N 0 0 291.757 3.857 10 0 CHAERN Clc1cc2c(cc1Cl)N(CC1CC1)CCN2 ZINC000076936702 136504659 /nfs/dbraw/zinc/50/46/59/136504659.db2.gz FHKOTPHYGDKGBA-UHFFFAOYSA-N 0 0 257.164 3.635 10 0 CHAERN Clc1ccc2c(c1)N(Cc1ccccc1)CCN2 ZINC000076937060 136505118 /nfs/dbraw/zinc/50/51/18/136505118.db2.gz DXXLCKRRTCJEPT-UHFFFAOYSA-N 0 0 258.752 3.772 10 0 CHAERN Cc1ccnc2c(OC(=O)c3ccccc3)cccc12 ZINC000098180495 185699111 /nfs/dbraw/zinc/69/91/11/185699111.db2.gz ROYYFXQLMNONTH-UHFFFAOYSA-N 0 0 263.296 3.762 10 0 CHAERN BrC12CC3C4CC5CC3C(C1)C(C5)C4C2 ZINC000098177409 185697510 /nfs/dbraw/zinc/69/75/10/185697510.db2.gz MKLFRKIAQFAEGD-UHFFFAOYSA-N 0 0 267.210 3.842 10 0 CHAERN Cc1ccc(CN2CCCc3ccc(N)cc32)cc1 ZINC000019779412 136578635 /nfs/dbraw/zinc/57/86/35/136578635.db2.gz PYWBHBASMGWPNS-UHFFFAOYSA-N 0 0 252.361 3.530 10 0 CHAERN CC(C)C[C@@H](C)N(C)c1ccc(F)cc1[C@H](C)O ZINC000103920028 185861583 /nfs/dbraw/zinc/86/15/83/185861583.db2.gz PTSRDYYKLVIFNI-NEPJUHHUSA-N 0 0 253.361 3.750 10 0 CHAERN C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)ccc2N)C1 ZINC000103969589 185870876 /nfs/dbraw/zinc/87/08/76/185870876.db2.gz LBUDZIFNKXGDDC-ONGXEEELSA-N 0 0 267.756 3.658 10 0 CHAERN CC(C)(C)[C@H]1CCc2nc(NC3CC3)sc2C1 ZINC000103986257 185875848 /nfs/dbraw/zinc/87/58/48/185875848.db2.gz XQDOPICZJDZBSU-VIFPVBQESA-N 0 0 250.411 3.868 10 0 CHAERN O[C@@H](c1nc2c(s1)CCCCCC2)c1ccccc1 ZINC000104060030 185889008 /nfs/dbraw/zinc/88/90/08/185889008.db2.gz ZFSMGXDMXLYAFQ-OAHLLOKOSA-N 0 0 273.401 3.884 10 0 CHAERN COc1cc(N(C)[C@@H](C)c2cccs2)c(N)cc1F ZINC000104126496 185899513 /nfs/dbraw/zinc/89/95/13/185899513.db2.gz HDSTXSCQVXFBSM-VIFPVBQESA-N 0 0 280.368 3.675 10 0 CHAERN Cc1ccc(C(N)=S)c(Nc2ccc(C)c(Cl)c2)n1 ZINC000104182084 185918032 /nfs/dbraw/zinc/91/80/32/185918032.db2.gz QUVPGAJMAWSEHS-UHFFFAOYSA-N 0 0 291.807 3.730 10 0 CHAERN Cc1ccc(C(N)=S)c(NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000104184923 185918622 /nfs/dbraw/zinc/91/86/22/185918622.db2.gz PQSROFBOTQKHEL-STQMWFEESA-N 0 0 276.449 3.867 10 0 CHAERN CCc1c(Cl)ncnc1Nc1ccc(F)c(F)c1 ZINC000104221302 185935357 /nfs/dbraw/zinc/93/53/57/185935357.db2.gz BQSRPFQDIUBTHJ-UHFFFAOYSA-N 0 0 269.682 3.714 10 0 CHAERN O=C1C[C@@H](c2ccccc2Cl)Oc2cccc(O)c21 ZINC000090494856 179993036 /nfs/dbraw/zinc/99/30/36/179993036.db2.gz GXGPOOFZGRBWEQ-AWEZNQCLSA-N 0 0 274.703 3.752 10 0 CHAERN CNc1nccn2c(-c3cc4ccccc4s3)cnc12 ZINC000090505584 179994817 /nfs/dbraw/zinc/99/48/17/179994817.db2.gz FSXXQKZHNNVBJR-UHFFFAOYSA-N 0 0 280.356 3.653 10 0 CHAERN COc1cccc(C[C@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104434235 186000551 /nfs/dbraw/zinc/00/05/51/186000551.db2.gz XJGKTLLJSNVMCJ-GXTWGEPZSA-N 0 0 250.382 3.671 10 0 CHAERN O=C1CCCC[C@@H]1CCc1cccc2cccnc21 ZINC000090659144 180018754 /nfs/dbraw/zinc/01/87/54/180018754.db2.gz VRGNZESVGFPEHI-CYBMUJFWSA-N 0 0 253.345 3.927 10 0 CHAERN Fc1ccc2sc(NCCc3cscn3)nc2c1 ZINC000104444996 186004980 /nfs/dbraw/zinc/00/49/80/186004980.db2.gz WIRBFTLRSKNWMJ-UHFFFAOYSA-N 0 0 279.365 3.547 10 0 CHAERN COc1ccc(OC)c(C(=O)C[C@H](C)C(C)(C)C)c1 ZINC000104448924 186005867 /nfs/dbraw/zinc/00/58/67/186005867.db2.gz PXKWKQUWFWGCSD-NSHDSACASA-N 0 0 264.365 3.959 10 0 CHAERN CC1CCC(OC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000104449564 186005950 /nfs/dbraw/zinc/00/59/50/186005950.db2.gz DEXWBNDOSXBIQV-UHFFFAOYSA-N 0 0 272.266 3.839 10 0 CHAERN FC1(F)Oc2cc(Cl)c(Cl)c(Cl)c2O1 ZINC000091252131 180114201 /nfs/dbraw/zinc/11/42/01/180114201.db2.gz YQMFODLXCKIKCZ-UHFFFAOYSA-N 0 0 261.438 3.968 10 0 CHAERN O=C([C@H]1C[C@H]1c1ccco1)N1CCc2ccc(Cl)cc21 ZINC000121496451 186976765 /nfs/dbraw/zinc/97/67/65/186976765.db2.gz FWDQRSIRDNVBED-OLZOCXBDSA-N 0 0 287.746 3.626 10 0 CHAERN O=C(CCc1ccccc1)C[C@H](O)/C=C\c1ccccc1 ZINC000208941915 189686724 /nfs/dbraw/zinc/68/67/24/189686724.db2.gz NEQGOKAKPXXESR-FWFZHJKVSA-N 0 0 280.367 3.653 10 0 CHAERN Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc21 ZINC000000007872 169505779 /nfs/dbraw/zinc/50/57/79/169505779.db2.gz WNYIJFWJLXADJB-UHFFFAOYSA-N 0 0 285.372 3.626 10 0 CHAERN Cc1ccc(SC(=O)c2ccc(Cl)nc2)cc1 ZINC000000166084 169560570 /nfs/dbraw/zinc/56/05/70/169560570.db2.gz MHHZZQMMRUGRQE-UHFFFAOYSA-N 0 0 263.749 3.976 10 0 CHAERN Cc1ccccc1/C=C1/C(=O)Nc2ccc(F)cc21 ZINC000000213353 169576908 /nfs/dbraw/zinc/57/69/08/169576908.db2.gz JZPATMFUZQXJQT-RIYZIHGNSA-N 0 0 253.276 3.627 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)OCCO2 ZINC000070977592 184572285 /nfs/dbraw/zinc/57/22/85/184572285.db2.gz RDWURFHMUATVNV-JSGCOSHPSA-N 0 0 261.365 3.839 10 0 CHAERN COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000171207384 335059393 /nfs/dbraw/zinc/05/93/93/335059393.db2.gz RGDFTUHLZRRCBV-KGLIPLIRSA-N 0 0 292.423 3.595 10 0 CHAERN Cc1ccc(NC(=S)N[C@H]2C[C@@H]3C=C[C@H]2C3)c(C)c1 ZINC000001028293 169686573 /nfs/dbraw/zinc/68/65/73/169686573.db2.gz MPMPESDOZVTRHW-IPYPFGDCSA-N 0 0 272.417 3.554 10 0 CHAERN O=C(Cc1cccc(Cl)c1)c1ccc(Cl)cn1 ZINC000094842802 184878663 /nfs/dbraw/zinc/87/86/63/184878663.db2.gz HTVKMBAUOTXDJI-UHFFFAOYSA-N 0 0 266.127 3.814 10 0 CHAERN CC[C@@H](CC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000171464363 335066288 /nfs/dbraw/zinc/06/62/88/335066288.db2.gz SMNUHMXSASRTGK-WMLDXEAASA-N 0 0 295.382 3.820 10 0 CHAERN Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)s1 ZINC000019875212 134711934 /nfs/dbraw/zinc/71/19/34/134711934.db2.gz BHRYOYVFCJUOIV-UHFFFAOYSA-N 0 0 278.808 3.937 10 0 CHAERN CCOC(=O)C=C(Nc1ccc(C)cc1N)c1ccccc1 ZINC000001882042 169762488 /nfs/dbraw/zinc/76/24/88/169762488.db2.gz HLZPWIQAHZNKCR-SFQUDFHCSA-N 0 0 296.370 3.593 10 0 CHAERN CS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000003611730 169902492 /nfs/dbraw/zinc/90/24/92/169902492.db2.gz VVLHURRVXVQCTO-UHFFFAOYSA-N 0 0 282.748 3.536 10 0 CHAERN COc1ccc(OC)c(C(=O)[C@H]2CCc3ccccc32)c1 ZINC000003818832 169914181 /nfs/dbraw/zinc/91/41/81/169914181.db2.gz MESLQLMZGWBEEL-HNNXBMFYSA-N 0 0 282.339 3.617 10 0 CHAERN Cc1csc2nc(-c3cccc(NC(=O)C(C)C)c3)cn12 ZINC000004249054 169948685 /nfs/dbraw/zinc/94/86/85/169948685.db2.gz PCIGIDTTZZLYTI-UHFFFAOYSA-N 0 0 299.399 3.966 10 0 CHAERN CCC(=O)Nc1nc2c(cc(Cl)cc2C)s1 ZINC000004331242 169958596 /nfs/dbraw/zinc/95/85/96/169958596.db2.gz WBTIONUIILNCPJ-UHFFFAOYSA-N 0 0 254.742 3.607 10 0 CHAERN Cc1cc2nc(NC(=O)C(C)(C)C)sc2c(C)c1 ZINC000004331280 169958738 /nfs/dbraw/zinc/95/87/38/169958738.db2.gz GYZSXWRFKYXWML-UHFFFAOYSA-N 0 0 262.378 3.898 10 0 CHAERN Clc1ccc(Nc2nc3ccccc3n3cnnc23)cc1 ZINC000004823258 170024043 /nfs/dbraw/zinc/02/40/43/170024043.db2.gz FXCUAQABRSDUTM-UHFFFAOYSA-N 0 0 295.733 3.675 10 0 CHAERN CC(C)[C@H](c1ccccc1)n1nnc2ccccc21 ZINC000005285092 170082831 /nfs/dbraw/zinc/08/28/31/170082831.db2.gz RMHGPPVTSUMDIF-MRXNPFEDSA-N 0 0 251.333 3.677 10 0 CHAERN O=C1CCCN1[C@@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000005331941 170086551 /nfs/dbraw/zinc/08/65/51/170086551.db2.gz VAGNKUQGTBABTE-ZWKOTPCHSA-N 0 0 292.382 3.907 10 0 CHAERN O=C1CCCN1[C@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000005332007 170086560 /nfs/dbraw/zinc/08/65/60/170086560.db2.gz VAGNKUQGTBABTE-MSOLQXFVSA-N 0 0 292.382 3.907 10 0 CHAERN CC(C)c1ccc(/C=C/C(=O)Nc2cccnc2)cc1 ZINC000005384670 170092753 /nfs/dbraw/zinc/09/27/53/170092753.db2.gz RHZDMSKHOHNWJB-JXMROGBWSA-N 0 0 266.344 3.857 10 0 CHAERN Cc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1 ZINC000005396659 170094836 /nfs/dbraw/zinc/09/48/36/170094836.db2.gz UIIPDPVJVMOWQC-UHFFFAOYSA-N 0 0 290.366 3.575 10 0 CHAERN CCO[C@H](c1ccc(C)cc1)[C@@H](O)c1ccccc1 ZINC000005474866 170102889 /nfs/dbraw/zinc/10/28/89/170102889.db2.gz KCVWBZONGDKVCI-DLBZAZTESA-N 0 0 256.345 3.806 10 0 CHAERN [O-][n+]1ccc(Sc2ccccc2)c2ccccc21 ZINC000005485981 170103839 /nfs/dbraw/zinc/10/38/39/170103839.db2.gz FNTFQOWXAYHZQC-UHFFFAOYSA-N 0 0 253.326 3.624 10 0 CHAERN Cc1ccc(F)c2c(=O)cc(-c3ccccc3)[nH]c12 ZINC000005504001 170105502 /nfs/dbraw/zinc/10/55/02/170105502.db2.gz BKLUWPCSRWSGEB-UHFFFAOYSA-N 0 0 253.276 3.643 10 0 CHAERN CCN(C(=O)C(Cl)(Cl)Cl)C1CCCCC1 ZINC000005591544 170117054 /nfs/dbraw/zinc/11/70/54/170117054.db2.gz QXSBVFRHHLZTMF-UHFFFAOYSA-N 0 0 272.603 3.538 10 0 CHAERN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000005610963 170119400 /nfs/dbraw/zinc/11/94/00/170119400.db2.gz YRLMXTSNKUQPJY-SFHVURJKSA-N 0 0 295.382 3.971 10 0 CHAERN C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000005636077 170122581 /nfs/dbraw/zinc/12/25/81/170122581.db2.gz GDXHQSXLVNKZLW-JTQLQIEISA-N 0 0 294.276 3.591 10 0 CHAERN O=c1cc(-c2cccc3ccccc32)nc2[nH]cccc1-2 ZINC000005647446 170123505 /nfs/dbraw/zinc/12/35/05/170123505.db2.gz PPEYNRXCXSJVHV-UHFFFAOYSA-N 0 0 272.307 3.743 10 0 in-vivo CHAERN CC[C@@H](C)Oc1nc(N)cc(Sc2cccc(C)c2)n1 ZINC000005845904 170146620 /nfs/dbraw/zinc/14/66/20/170146620.db2.gz SHCRRKBMJQUNLH-LLVKDONJSA-N 0 0 289.404 3.696 10 0 CHAERN CCc1ccccc1-c1nnc(-c2cccc(F)c2)[nH]1 ZINC000005956797 170162042 /nfs/dbraw/zinc/16/20/42/170162042.db2.gz ANIGOOQXMDHYSN-UHFFFAOYSA-N 0 0 267.307 3.840 10 0 CHAERN C[C@@H]1CCCCN1CC(=O)c1ccc(Br)cc1 ZINC000006249977 170185253 /nfs/dbraw/zinc/18/52/53/170185253.db2.gz FZMYIBQTIUEEMT-LLVKDONJSA-N 0 0 296.208 3.506 10 0 CHAERN CCCOc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000006398396 170198405 /nfs/dbraw/zinc/19/84/05/170198405.db2.gz CNWUBRQZRNZJFO-ZIAGYGMSSA-N 0 0 275.392 3.594 10 0 CHAERN Cc1cccc2c1[S@@](=O)N(Cc1ccccc1)S2 ZINC000006523187 170209696 /nfs/dbraw/zinc/20/96/96/170209696.db2.gz WLASPUHKIKVYQL-SFHVURJKSA-N 0 0 275.398 3.541 10 0 CHAERN O=c1cc(-c2ccccc2)sc2ccc(O)cc12 ZINC000006582525 170215693 /nfs/dbraw/zinc/21/56/93/170215693.db2.gz LQTSLXMQDGCFMH-UHFFFAOYSA-N 0 0 254.310 3.634 10 0 CHAERN O=C(/C(=C\c1ccccc1)c1ccccc1)N1CCCC1 ZINC000006593689 170217473 /nfs/dbraw/zinc/21/74/73/170217473.db2.gz UGNUSIUSZCEOTN-SDXDJHTJSA-N 0 0 277.367 3.850 10 0 CHAERN CCN(CC)C(=S)SC(=O)c1cc2ccccc2o1 ZINC000007263547 170274523 /nfs/dbraw/zinc/27/45/23/170274523.db2.gz BEFPLZKDKIWQHR-UHFFFAOYSA-N 0 0 293.413 3.933 10 0 CHAERN CC(C)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000007650071 170295227 /nfs/dbraw/zinc/29/52/27/170295227.db2.gz PRBSAHPJJDNWPB-UHFFFAOYSA-N 0 0 269.344 3.974 10 0 CHAERN COc1ccc(C(=O)Nc2ccc(OCC(C)C)cc2)cc1 ZINC000007650072 170295455 /nfs/dbraw/zinc/29/54/55/170295455.db2.gz HMMBLPJYEZXSRC-UHFFFAOYSA-N 0 0 299.370 3.982 10 0 CHAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C)o1 ZINC000007885397 170306003 /nfs/dbraw/zinc/30/60/03/170306003.db2.gz RLPDVMXOEOEZFZ-BDJLRTHQSA-N 0 0 284.359 3.953 10 0 CHAERN Cc1cc(C)nc(Nc2ccc(F)c(Cl)c2)n1 ZINC000008020187 170314194 /nfs/dbraw/zinc/31/41/94/170314194.db2.gz UKKRFHOVZJGUGA-UHFFFAOYSA-N 0 0 251.692 3.630 10 0 CHAERN Cc1ccc2cccc(OCc3cn4ccccc4n3)c2n1 ZINC000008414281 170335683 /nfs/dbraw/zinc/33/56/83/170335683.db2.gz SUPLNGGYAHJEBD-UHFFFAOYSA-N 0 0 289.338 3.770 10 0 CHAERN Cc1cccc(NC(=O)c2cc3cc(F)ccc3nc2C)n1 ZINC000008415383 170335710 /nfs/dbraw/zinc/33/57/10/170335710.db2.gz RJPQARYHSJYVTO-UHFFFAOYSA-N 0 0 295.317 3.638 10 0 CHAERN COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008474176 170337370 /nfs/dbraw/zinc/33/73/70/170337370.db2.gz FJNKXTXTYNUEIK-OAHLLOKOSA-N 0 0 286.762 3.787 10 0 CHAERN COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000008496465 170338114 /nfs/dbraw/zinc/33/81/14/170338114.db2.gz REDQSIOVHYXDRM-HNNXBMFYSA-N 0 0 286.762 3.787 10 0 CHAERN Cc1ccc([C@H](CNC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000008842777 170356958 /nfs/dbraw/zinc/35/69/58/170356958.db2.gz QRAMSPGYTUZFEE-INIZCTEOSA-N 0 0 296.414 3.684 10 0 CHAERN CSc1ccc(CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000009565188 170381222 /nfs/dbraw/zinc/38/12/22/170381222.db2.gz PVLQOMGLXMLMBS-UHFFFAOYSA-N 0 0 299.395 3.792 10 0 CHAERN CSc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000009565189 170381285 /nfs/dbraw/zinc/38/12/85/170381285.db2.gz HBMFYBKJTFXJIU-UHFFFAOYSA-N 0 0 299.395 3.792 10 0 CHAERN O[C@H](CSc1nc2ccccc2o1)c1ccccc1 ZINC000010141073 170398485 /nfs/dbraw/zinc/39/84/85/170398485.db2.gz PXBLUVPBNYIUFU-CYBMUJFWSA-N 0 0 271.341 3.654 10 0 CHAERN CCOc1cc(/C=C/c2ccncc2)ccc1OC(C)=O ZINC000011858406 170448568 /nfs/dbraw/zinc/44/85/68/170448568.db2.gz GUOXYJYZFIMDER-SNAWJCMRSA-N 0 0 283.327 3.576 10 0 CHAERN CCCC(=O)Nc1cccc(Oc2nc(C)cc(C)n2)c1 ZINC000012089957 170468374 /nfs/dbraw/zinc/46/83/74/170468374.db2.gz ZYCZVZTXWAACNR-UHFFFAOYSA-N 0 0 285.347 3.624 10 0 CHAERN O=C(c1ccccc1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000013728373 170582863 /nfs/dbraw/zinc/58/28/63/170582863.db2.gz HZNBYWBVEQYHIV-UHFFFAOYSA-N 0 0 289.378 3.887 10 0 CHAERN COc1ccccc1-c1cnc2cc(OC)c(OC)cc2c1 ZINC000013737710 170584942 /nfs/dbraw/zinc/58/49/42/170584942.db2.gz ZGHJQSABDREYEE-UHFFFAOYSA-N 0 0 295.338 3.928 10 0 in-vivo CHAERN Cc1c(C)c(=O)oc2cc(NC(=O)c3ccccc3)ccc12 ZINC000013835561 170602922 /nfs/dbraw/zinc/60/29/22/170602922.db2.gz OEUPIRRYTCNQRS-UHFFFAOYSA-N 0 0 293.322 3.662 10 0 CHAERN O=C(NC1CCCC1)c1ncc(Cl)c(Cl)c1Cl ZINC000015080807 170656661 /nfs/dbraw/zinc/65/66/61/170656661.db2.gz KGGFKQIKNRGBGZ-UHFFFAOYSA-N 0 0 293.581 3.714 10 0 CHAERN N[C@@H](COc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000019400168 170784649 /nfs/dbraw/zinc/78/46/49/170784649.db2.gz UKZWFUBFBXBHLT-AWEZNQCLSA-N 0 0 271.291 3.651 10 0 CHAERN C[C@H](NCC(F)(F)F)c1ccc(Br)cc1 ZINC000019485191 170812081 /nfs/dbraw/zinc/81/20/81/170812081.db2.gz JCOOCEPQIJXBCG-ZETCQYMHSA-N 0 0 282.103 3.662 10 0 CHAERN CCOCc1ccc(-c2ccccc2C(N)=S)cc1 ZINC000019502840 170815646 /nfs/dbraw/zinc/81/56/46/170815646.db2.gz KPAIOZRPEUCOHF-UHFFFAOYSA-N 0 0 271.385 3.524 10 0 CHAERN C[C@@H](OCc1ccccc1C(N)=S)c1ccccc1 ZINC000019802645 170871049 /nfs/dbraw/zinc/87/10/49/170871049.db2.gz FMPAOUHFLZPEIT-GFCCVEGCSA-N 0 0 271.385 3.599 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCc1ccc(C(N)=S)cc1 ZINC000019806205 170875025 /nfs/dbraw/zinc/87/50/25/170875025.db2.gz QTIXSENHPTYGLX-UKRRQHHQSA-N 0 0 277.433 3.806 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OCc1ccccc1C(N)=S ZINC000019806208 170875179 /nfs/dbraw/zinc/87/51/79/170875179.db2.gz HPFVTAMOSDSSQX-WFASDCNBSA-N 0 0 277.433 3.806 10 0 CHAERN CC(C)C[C@@H](C)Oc1ccc(Br)cc1N ZINC000019845838 170894078 /nfs/dbraw/zinc/89/40/78/170894078.db2.gz GNQLVNVGVVZRSP-SECBINFHSA-N 0 0 272.186 3.845 10 0 CHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(Br)cc1N ZINC000019845793 170894118 /nfs/dbraw/zinc/89/41/18/170894118.db2.gz KEAHZQKHRQGQTB-SKDRFNHKSA-N 0 0 284.197 3.989 10 0 CHAERN c1ccc(-c2ccccc2NC[C@@H]2CCOC2)cc1 ZINC000019901716 170913685 /nfs/dbraw/zinc/91/36/85/170913685.db2.gz KOGRFPOEAYBUKN-AWEZNQCLSA-N 0 0 253.345 3.802 10 0 CHAERN Fc1cc(Br)ccc1N[C@@H]1CCSC1 ZINC000019907958 170920153 /nfs/dbraw/zinc/92/01/53/170920153.db2.gz NCJXGQDFTDOQRB-MRVPVSSYSA-N 0 0 276.174 3.506 10 0 CHAERN COc1cc([C@H](C)Nc2cc(C)ccc2OC)ccc1O ZINC000019914484 170924233 /nfs/dbraw/zinc/92/42/33/170924233.db2.gz LUDRKPPPIBGKLF-LBPRGKRZSA-N 0 0 287.359 3.891 10 0 CHAERN CC[C@H](Nc1ccc2c(c1)OCO2)c1ccc(O)cc1 ZINC000019966289 170947696 /nfs/dbraw/zinc/94/76/96/170947696.db2.gz JVYFFCVNVPMLJB-AWEZNQCLSA-N 0 0 271.316 3.684 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(NC[C@H]2CCCO2)c1 ZINC000020038212 170975062 /nfs/dbraw/zinc/97/50/62/170975062.db2.gz WCQGAGJJUNTUDP-SECBINFHSA-N 0 0 279.689 3.950 10 0 CHAERN Nc1cc(NC(=O)CSc2cccs2)ccc1Cl ZINC000020078113 170985101 /nfs/dbraw/zinc/98/51/01/170985101.db2.gz JFHRPAJISQHFJF-UHFFFAOYSA-N 0 0 298.820 3.715 10 0 CHAERN COc1ccc(Oc2ncccc2N)c(C(C)(C)C)c1 ZINC000020081093 170986411 /nfs/dbraw/zinc/98/64/11/170986411.db2.gz UFYILXUITIWKKX-UHFFFAOYSA-N 0 0 272.348 3.762 10 0 CHAERN CNC(=O)c1cccc(N[C@H](C)c2ccc(C)cc2C)c1 ZINC000020124684 171007066 /nfs/dbraw/zinc/00/70/66/171007066.db2.gz IHVWISODHPQKGR-CQSZACIVSA-N 0 0 282.387 3.836 10 0 CHAERN CC[C@@H](Nc1cccc(C(=O)NC)c1)c1cccs1 ZINC000020124763 171007169 /nfs/dbraw/zinc/00/71/69/171007169.db2.gz KKEYBFXLKJNJFM-CYBMUJFWSA-N 0 0 274.389 3.671 10 0 CHAERN COc1ccc(CNCc2nc3ccccc3s2)cc1 ZINC000020135912 171023138 /nfs/dbraw/zinc/02/31/38/171023138.db2.gz PXCIOBZPKJNABR-UHFFFAOYSA-N 0 0 284.384 3.595 10 0 CHAERN Cc1nc2cc(N[C@H](C)c3ccncc3)ccc2o1 ZINC000020144025 171029578 /nfs/dbraw/zinc/02/95/78/171029578.db2.gz KSDDJOCPGACNPW-SNVBAGLBSA-N 0 0 253.305 3.704 10 0 CHAERN Cc1ccc(CNc2ccccc2N2CCCC2=O)cc1 ZINC000020147397 171033692 /nfs/dbraw/zinc/03/36/92/171033692.db2.gz BMAIJNSKDYAULG-UHFFFAOYSA-N 0 0 280.371 3.734 10 0 CHAERN C[C@H](NCc1c(F)cccc1F)c1cccc(F)c1 ZINC000020147777 171035159 /nfs/dbraw/zinc/03/51/59/171035159.db2.gz QNHKQWMAUBKSNE-JTQLQIEISA-N 0 0 265.278 3.955 10 0 CHAERN C[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnco2)cc1 ZINC000020186826 171050997 /nfs/dbraw/zinc/05/09/97/171050997.db2.gz VDAJPIGMLGGCAC-BXUZGUMPSA-N 0 0 257.337 3.727 10 0 CHAERN C[C@@H](Nc1ccc(-c2nnco2)cc1)c1cccs1 ZINC000020186931 171051414 /nfs/dbraw/zinc/05/14/14/171051414.db2.gz VOMQFSXMJBJFGF-SNVBAGLBSA-N 0 0 271.345 3.971 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)CCc1ccccc1N ZINC000020187517 171052035 /nfs/dbraw/zinc/05/20/35/171052035.db2.gz IBTBSPBOIPNVNE-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN CC(C)c1ccc(C(=O)N(C)c2ccc(O)cc2)cc1 ZINC000020210930 171074371 /nfs/dbraw/zinc/07/43/71/171074371.db2.gz CNTAHQBNQVWWNL-UHFFFAOYSA-N 0 0 269.344 3.792 10 0 CHAERN C[C@@H](Nc1ccccc1Cl)C(=O)NC1CCCCC1 ZINC000020300817 171138897 /nfs/dbraw/zinc/13/88/97/171138897.db2.gz VZMUPRVOVQUMJA-LLVKDONJSA-N 0 0 280.799 3.589 10 0 CHAERN C[C@H](Nc1ccc(F)cc1Cl)C(=O)NC1CCCCC1 ZINC000020308611 171143253 /nfs/dbraw/zinc/14/32/53/171143253.db2.gz HBTIESXEEXCSCW-JTQLQIEISA-N 0 0 298.789 3.728 10 0 CHAERN C[C@H](Nc1cc(Cl)ccc1Cl)C(=O)NC(C)(C)C ZINC000020313149 171145067 /nfs/dbraw/zinc/14/50/67/171145067.db2.gz IYPYVYBOHAFFND-QMMMGPOBSA-N 0 0 289.206 3.709 10 0 CHAERN Nc1cccc(Cl)c1OCc1ccc(F)cc1 ZINC000020353517 171157057 /nfs/dbraw/zinc/15/70/57/171157057.db2.gz UPPMEBRUWCOKKC-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN CCCCCNc1ccccc1I ZINC000020359025 171158087 /nfs/dbraw/zinc/15/80/87/171158087.db2.gz YVTUENUDPKPQOT-UHFFFAOYSA-N 0 0 289.160 3.893 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1N ZINC000020360798 171159755 /nfs/dbraw/zinc/15/97/55/171159755.db2.gz ZOEUPXLQEFZUCO-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366360 171165242 /nfs/dbraw/zinc/16/52/42/171165242.db2.gz BILVRCHLFWUJGA-RKDXNWHRSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1cccc2ccccc21 ZINC000020366432 171165408 /nfs/dbraw/zinc/16/54/08/171165408.db2.gz JEZWYAPGXMHMPD-OLZOCXBDSA-N 0 0 270.376 3.555 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(Cl)c1F ZINC000020368313 171166439 /nfs/dbraw/zinc/16/64/39/171166439.db2.gz DPURYSUGTNDWIG-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020368122 171166483 /nfs/dbraw/zinc/16/64/83/171166483.db2.gz OEFYRMIZUIFMHP-VIFPVBQESA-N 0 0 289.206 3.710 10 0 CHAERN Cc1ccc(N)c(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000020374719 171170215 /nfs/dbraw/zinc/17/02/15/171170215.db2.gz YRMKLUJHEGBSAK-UHFFFAOYSA-N 0 0 257.724 3.774 10 0 CHAERN CCC(CC)Nc1ccc(Br)cc1N ZINC000020381633 171172819 /nfs/dbraw/zinc/17/28/19/171172819.db2.gz WWOLPCDFGDQYEI-UHFFFAOYSA-N 0 0 257.175 3.632 10 0 CHAERN Nc1ccc(NCCc2cccs2)c(Cl)c1 ZINC000020383874 171173767 /nfs/dbraw/zinc/17/37/67/171173767.db2.gz DDGJNKHUOVIHHK-UHFFFAOYSA-N 0 0 252.770 3.638 10 0 CHAERN Nc1nc(COc2ccc(-c3ccccc3)cc2)cs1 ZINC000020393075 171180268 /nfs/dbraw/zinc/18/02/68/171180268.db2.gz SNDMWICEERWFML-UHFFFAOYSA-N 0 0 282.368 3.971 10 0 CHAERN Cc1ccc(F)c(Nc2ccccc2C(N)=S)c1 ZINC000020471985 171214591 /nfs/dbraw/zinc/21/45/91/171214591.db2.gz AEWYZOIGQWQQIR-UHFFFAOYSA-N 0 0 260.337 3.512 10 0 CHAERN CC(C)[C@H](C)Nc1ccccc1I ZINC000020480039 171221591 /nfs/dbraw/zinc/22/15/91/171221591.db2.gz NGAHRLZNYZIBDD-VIFPVBQESA-N 0 0 289.160 3.748 10 0 CHAERN CC(C)[C@H](C)Nc1cccc(I)c1 ZINC000020478866 171221944 /nfs/dbraw/zinc/22/19/44/171221944.db2.gz DRAXBHZVNPTPSL-VIFPVBQESA-N 0 0 289.160 3.748 10 0 CHAERN CCN(Cc1ccccc1)c1ccc(C=O)cc1F ZINC000020486673 171225811 /nfs/dbraw/zinc/22/58/11/171225811.db2.gz JOVJYVFVCLLAIG-UHFFFAOYSA-N 0 0 257.308 3.665 10 0 CHAERN COCCNc1c(Cl)cc(Br)cc1Cl ZINC000020505906 171228333 /nfs/dbraw/zinc/22/83/33/171228333.db2.gz QVRNERSVTADFRK-UHFFFAOYSA-N 0 0 298.995 3.814 10 0 CHAERN CCCCCCOCc1ccc(C(N)=S)cc1F ZINC000020515943 171232483 /nfs/dbraw/zinc/23/24/83/171232483.db2.gz FLFFPBCNWGOFKU-UHFFFAOYSA-N 0 0 269.385 3.557 10 0 CHAERN C[C@@H]1CCC[C@H](Oc2cccc(Cl)c2CO)C1 ZINC000020517487 171233071 /nfs/dbraw/zinc/23/30/71/171233071.db2.gz MYQQQWTXZHOMNQ-MNOVXSKESA-N 0 0 254.757 3.790 10 0 CHAERN Cc1cccc(C(C)C)c1Nc1ncccc1C(N)=S ZINC000020566994 171254700 /nfs/dbraw/zinc/25/47/00/171254700.db2.gz JUOGQJGHIPNADV-UHFFFAOYSA-N 0 0 285.416 3.891 10 0 CHAERN C[C@@H](n1cn[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020583338 171257972 /nfs/dbraw/zinc/25/79/72/171257972.db2.gz LSOWKXUGPBQFFK-GVDDXCRBSA-N 0 0 263.410 3.718 10 0 CHAERN S=C1N=NC(c2cccs2)N1c1cccc(Cl)c1 ZINC000020591006 171261464 /nfs/dbraw/zinc/26/14/64/171261464.db2.gz CVKRSLZLLKBHRC-UHFFFAOYSA-N 0 0 293.804 3.938 10 0 CHAERN CCOc1ccc(Cl)cc1C(=O)Nc1cc(C)ccn1 ZINC000021001307 171284449 /nfs/dbraw/zinc/28/44/49/171284449.db2.gz ZMDGESPLSMLYLS-UHFFFAOYSA-N 0 0 290.750 3.694 10 0 CHAERN COc1ccc(COc2ccccc2Cl)cc1N ZINC000021513326 171311192 /nfs/dbraw/zinc/31/11/92/171311192.db2.gz GRVUMZFJTSZHSP-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Fc1cc(F)cc([C@@H]2NCc3ccccc3-n3cccc32)c1 ZINC000021782184 171322000 /nfs/dbraw/zinc/32/20/00/171322000.db2.gz UQBFKIFGZDNYGW-SFHVURJKSA-N 0 0 296.320 3.948 10 0 CHAERN O=Cc1ccc(O[C@@H]2CCCc3ccccc32)cc1 ZINC000021819987 171334137 /nfs/dbraw/zinc/33/41/37/171334137.db2.gz OLFXCCJDCXJJRF-QGZVFWFLSA-N 0 0 252.313 3.956 10 0 CHAERN O=Cc1cc(Cl)cc(Cl)c1OCc1ccncc1 ZINC000021952072 171340274 /nfs/dbraw/zinc/34/02/74/171340274.db2.gz AZMIFGAIWITDRD-UHFFFAOYSA-N 0 0 282.126 3.780 10 0 CHAERN COc1ccc(Oc2ncc(Cl)cc2Cl)c(N)c1 ZINC000021954385 171341167 /nfs/dbraw/zinc/34/11/67/171341167.db2.gz UHWXILVTLRGITP-UHFFFAOYSA-N 0 0 285.130 3.772 10 0 CHAERN Nc1ccc(F)c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000022146843 171356845 /nfs/dbraw/zinc/35/68/45/171356845.db2.gz BDPNCRMUTDSSOX-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1F ZINC000022147794 171357041 /nfs/dbraw/zinc/35/70/41/171357041.db2.gz QLUXCGXSJFGIDE-JSGCOSHPSA-N 0 0 250.313 3.986 10 0 CHAERN C[C@H]1C[C@@H](Oc2nc3sccn3c2C=O)CC(C)(C)C1 ZINC000022158825 171363421 /nfs/dbraw/zinc/36/34/21/171363421.db2.gz VTTLRMAXMADFNJ-WDEREUQCSA-N 0 0 292.404 3.802 10 0 CHAERN CCc1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1 ZINC000022172041 171368535 /nfs/dbraw/zinc/36/85/35/171368535.db2.gz YJTBCRYPAOHEJF-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CCOc1ccccc1 ZINC000023651885 171425178 /nfs/dbraw/zinc/42/51/78/171425178.db2.gz FVKWGPAOZHOXOW-HNNXBMFYSA-N 0 0 283.371 3.641 10 0 CHAERN Nc1n[nH]c(-c2ccsc2)c1-c1cccc(F)c1 ZINC000026511625 171490424 /nfs/dbraw/zinc/49/04/24/171490424.db2.gz ZKJIWELNBDHBFL-UHFFFAOYSA-N 0 0 259.309 3.527 10 0 CHAERN CC[C@H](C)NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000026976044 171504711 /nfs/dbraw/zinc/50/47/11/171504711.db2.gz FUAZODAKALEZIH-FLOXNTQESA-N 0 0 272.175 3.921 10 0 CHAERN O[C@@H](c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000028528246 171562408 /nfs/dbraw/zinc/56/24/08/171562408.db2.gz WEGPYBSCAYNGQH-QGZVFWFLSA-N 0 0 254.329 3.709 10 0 CHAERN CC(C)c1ccc(CCC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171569617 335071015 /nfs/dbraw/zinc/07/10/15/335071015.db2.gz BRTFHYBIGZMDDY-AWEZNQCLSA-N 0 0 291.460 3.707 10 0 CHAERN CCc1ccc2nc(Cl)c(/C=C/[N+](=O)[O-])cc2c1 ZINC000032099803 171696704 /nfs/dbraw/zinc/69/67/04/171696704.db2.gz KRSRXIKQNHXKCQ-AATRIKPKSA-N 0 0 262.696 3.698 10 0 CHAERN CCOc1ccc2[nH]c(=O)c(-c3ccccc3)cc2c1 ZINC000032099756 171696862 /nfs/dbraw/zinc/69/68/62/171696862.db2.gz KEZOGPCXCWHRJU-UHFFFAOYSA-N 0 0 265.312 3.594 10 0 CHAERN C[C@]12CC[C@H]3c4ccc(O)cc4CC=C3[C@H]1CC[C@@H]2O ZINC000033962894 171827798 /nfs/dbraw/zinc/82/77/98/171827798.db2.gz NLLMJANWPUQQTA-RANZSIQMSA-N 0 0 270.372 3.529 10 0 CHAERN C[C@@H](NC(=O)/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000034704750 171863499 /nfs/dbraw/zinc/86/34/99/171863499.db2.gz QPOUGHQRILNRSG-KIWPFMIBSA-N 0 0 269.319 3.716 10 0 CHAERN C[C@@H](Oc1ccc(F)cc1F)C(=O)c1ccc(F)cc1 ZINC000034980954 171913337 /nfs/dbraw/zinc/91/33/37/171913337.db2.gz PNKCOIKRIUVWOE-SECBINFHSA-N 0 0 280.245 3.754 10 0 CHAERN CC[C@H](C)c1ccc(NCc2ccc(C(N)=O)cc2)cc1 ZINC000035047833 171951773 /nfs/dbraw/zinc/95/17/73/171951773.db2.gz XCELZZZWALMWKR-ZDUSSCGKSA-N 0 0 282.387 3.911 10 0 CHAERN Nc1ccc(Sc2ccccc2)c2ncccc12 ZINC000035060261 171962161 /nfs/dbraw/zinc/96/21/61/171962161.db2.gz ACRZIGPQZTYIQT-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN CCOCCNc1ccc(Cl)cc1C(F)(F)F ZINC000035098072 171976704 /nfs/dbraw/zinc/97/67/04/171976704.db2.gz UPVDBXDRHYGBCE-UHFFFAOYSA-N 0 0 267.678 3.807 10 0 CHAERN CCCCC[C@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134741 172001394 /nfs/dbraw/zinc/00/13/94/172001394.db2.gz FGUQYJHDVRPMSY-LBPRGKRZSA-N 0 0 258.365 3.867 10 0 CHAERN C[C@@H]1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000035134658 172001762 /nfs/dbraw/zinc/00/17/62/172001762.db2.gz BEQMLZZJOMIZNI-JMSVASOKSA-N 0 0 270.376 3.722 10 0 CHAERN COC(=O)[C@H](C)CSc1cc(Cl)ccc1Cl ZINC000035138065 172005735 /nfs/dbraw/zinc/00/57/35/172005735.db2.gz GPELHBIYYGRNCY-SSDOTTSWSA-N 0 0 279.188 3.895 10 0 CHAERN Cc1ccc(OCC(=O)c2cc(F)ccc2F)cc1C ZINC000035182318 172035968 /nfs/dbraw/zinc/03/59/68/172035968.db2.gz JEMNRDZBFQLZPQ-UHFFFAOYSA-N 0 0 276.282 3.843 10 0 CHAERN COc1ccc(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000035182389 172036210 /nfs/dbraw/zinc/03/62/10/172036210.db2.gz WRVZJEDXPBAXIQ-AWEZNQCLSA-N 0 0 284.355 3.962 10 0 CHAERN CC[C@H](C)SCC(=O)c1cc(F)ccc1OC ZINC000035182560 172036465 /nfs/dbraw/zinc/03/64/65/172036465.db2.gz RKEBGUAMQNSYSN-VIFPVBQESA-N 0 0 256.342 3.549 10 0 CHAERN O=C(COc1ccccc1F)c1cc2ccccc2o1 ZINC000035183565 172036686 /nfs/dbraw/zinc/03/66/86/172036686.db2.gz QKICKIBNMNKCNV-UHFFFAOYSA-N 0 0 270.259 3.834 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035183669 172037024 /nfs/dbraw/zinc/03/70/24/172037024.db2.gz XOSPPLMFGZGYCP-GFCCVEGCSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1ccccc1OCC(=O)c1ccc(Cl)s1 ZINC000035183816 172037196 /nfs/dbraw/zinc/03/71/96/172037196.db2.gz BWDLFLCHUSVURL-UHFFFAOYSA-N 0 0 266.749 3.972 10 0 CHAERN Cc1ccc(C(=O)COc2cccc(F)c2)c(C)c1 ZINC000035184103 172037516 /nfs/dbraw/zinc/03/75/16/172037516.db2.gz CKNFXDWCIRLWQO-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN COc1ccc(OCC(=O)c2ccc(C)cc2C)cc1 ZINC000035184184 172037838 /nfs/dbraw/zinc/03/78/38/172037838.db2.gz OGYSJJUNAVDERL-UHFFFAOYSA-N 0 0 270.328 3.574 10 0 CHAERN C[C@@H](O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000035199380 172044497 /nfs/dbraw/zinc/04/44/97/172044497.db2.gz AASOKRJMXSBNRD-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN CCc1ccc(C(=O)Nc2ccccc2[C@H](C)O)cc1 ZINC000035199591 172045265 /nfs/dbraw/zinc/04/52/65/172045265.db2.gz AGVXCGSSRMHKOS-LBPRGKRZSA-N 0 0 269.344 3.555 10 0 CHAERN Cc1cc(C)nc(Oc2ccccc2Br)n1 ZINC000035206253 172050320 /nfs/dbraw/zinc/05/03/20/172050320.db2.gz SYKKQIGRAHRMEX-UHFFFAOYSA-N 0 0 279.137 3.648 10 0 CHAERN CCC(CC)N(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000035208009 172053939 /nfs/dbraw/zinc/05/39/39/172053939.db2.gz BLOKFVKUIBWRKJ-UHFFFAOYSA-N 0 0 275.179 3.649 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(c2cccnc2Cl)CC1 ZINC000035270249 172092538 /nfs/dbraw/zinc/09/25/38/172092538.db2.gz IZBZZCFQHRNHEE-UHFFFAOYSA-N 0 0 296.798 3.850 10 0 CHAERN Cc1cc(Oc2cccc3cccnc32)ccc1N ZINC000035278463 172097198 /nfs/dbraw/zinc/09/71/98/172097198.db2.gz SXMGEFNLMVHVEC-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN CC(C)C[C@@H](C)Oc1ccc2scnc2c1N ZINC000035344895 172137150 /nfs/dbraw/zinc/13/71/50/172137150.db2.gz NXWZIAZWQQUSRL-SECBINFHSA-N 0 0 250.367 3.692 10 0 CHAERN COc1ccc(C(=O)c2ccoc2)c2ccccc12 ZINC000035369399 172161135 /nfs/dbraw/zinc/16/11/35/172161135.db2.gz JSJQDCOBBRMMIR-UHFFFAOYSA-N 0 0 252.269 3.672 10 0 CHAERN COc1cc(Cl)c(C(=O)c2sccc2C)cc1OC ZINC000035369593 172161259 /nfs/dbraw/zinc/16/12/59/172161259.db2.gz IWWHVDXVWQMYDU-UHFFFAOYSA-N 0 0 296.775 3.958 10 0 CHAERN Cc1ccsc1C(=O)c1cc2c(cc1Cl)OCCO2 ZINC000035369555 172161271 /nfs/dbraw/zinc/16/12/71/172161271.db2.gz OJRAVWZFYCGBJQ-UHFFFAOYSA-N 0 0 294.759 3.712 10 0 CHAERN Cc1cccc(Oc2nc3sccn3c2C=O)c1C ZINC000035428536 172196715 /nfs/dbraw/zinc/19/67/15/172196715.db2.gz NDJFMMGZHAGXJH-UHFFFAOYSA-N 0 0 272.329 3.617 10 0 CHAERN Cc1cc(Cl)ccc1Oc1nc2sccn2c1C=O ZINC000035428582 172196851 /nfs/dbraw/zinc/19/68/51/172196851.db2.gz NAJSCRCJTFKIAX-UHFFFAOYSA-N 0 0 292.747 3.962 10 0 CHAERN CN[C@@H](c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000035469562 172221145 /nfs/dbraw/zinc/22/11/45/172221145.db2.gz YTHJQEWMFSTKCG-AWEZNQCLSA-N 0 0 269.241 3.552 10 0 CHAERN CCN[C@H](c1ccc(OC)c(Cl)c1)C(F)(F)F ZINC000035538347 172244889 /nfs/dbraw/zinc/24/48/89/172244889.db2.gz OORUPVJLXORIKK-SNVBAGLBSA-N 0 0 267.678 3.562 10 0 CHAERN CCN[C@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000035539985 172246501 /nfs/dbraw/zinc/24/65/01/172246501.db2.gz CFWPZIMMTKKMIA-OAHLLOKOSA-N 0 0 265.278 3.803 10 0 CHAERN CCN[C@@H](c1ccc(OC)cc1)C(F)(F)C(F)(F)F ZINC000035540728 172246911 /nfs/dbraw/zinc/24/69/11/172246911.db2.gz FQOGTCZBKPKOGO-JTQLQIEISA-N 0 0 283.240 3.543 10 0 CHAERN CCN[C@@H](c1ccc(C)o1)c1cc(F)ccc1F ZINC000035543378 172251179 /nfs/dbraw/zinc/25/11/79/172251179.db2.gz GOLGVMJROFYRJS-CQSZACIVSA-N 0 0 251.276 3.565 10 0 CHAERN CCN[C@H](c1cccs1)C(F)(F)C(F)(F)F ZINC000035545294 172253866 /nfs/dbraw/zinc/25/38/66/172253866.db2.gz FXELNAMCHWTELW-SSDOTTSWSA-N 0 0 259.243 3.596 10 0 CHAERN CCCN[C@H](c1c(F)cc(F)cc1F)C(F)(F)F ZINC000035580796 172276604 /nfs/dbraw/zinc/27/66/04/172276604.db2.gz CYHBNTRIKBBNLR-SNVBAGLBSA-N 0 0 271.204 3.707 10 0 CHAERN Cc1ccc(OCc2ccccc2C)c([C@@H](C)O)c1 ZINC000035630408 172311253 /nfs/dbraw/zinc/31/12/53/172311253.db2.gz FSCPHEWRRACMNP-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N1c2ccccc2C[C@H]1C ZINC000035631255 172312953 /nfs/dbraw/zinc/31/29/53/172312953.db2.gz PDHJTGMZWLORCH-VXGBXAGGSA-N 0 0 271.335 3.962 10 0 CHAERN C[C@H](O)c1ccc(Oc2cccc(F)c2)c(F)c1 ZINC000035632350 172314947 /nfs/dbraw/zinc/31/49/47/172314947.db2.gz DJRYSQVKJLTHNR-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN C[C@H](O)c1c(F)cccc1Oc1cccc(F)c1 ZINC000035632346 172314993 /nfs/dbraw/zinc/31/49/93/172314993.db2.gz WLCRRMBQEXDYAF-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN Cc1cc(Cl)c(C(C)C)cc1OCCCCO ZINC000035650179 172326274 /nfs/dbraw/zinc/32/62/74/172326274.db2.gz ZSINKUBSHIDZOE-UHFFFAOYSA-N 0 0 256.773 3.923 10 0 CHAERN Nc1cnccc1Sc1ccc2ccccc2c1 ZINC000035676432 172347131 /nfs/dbraw/zinc/34/71/31/172347131.db2.gz GTAUMSRSRFTPJB-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN CN(Cc1cccs1)c1ccc(N)c2ncccc12 ZINC000035716834 172371477 /nfs/dbraw/zinc/37/14/77/172371477.db2.gz WFVFQPPUYATUCY-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN CN(Cc1ccsc1)c1ccc(Cl)cc1N ZINC000035718727 172372805 /nfs/dbraw/zinc/37/28/05/172372805.db2.gz HBUCNPXSSVMDHD-UHFFFAOYSA-N 0 0 252.770 3.620 10 0 CHAERN CN(Cc1ccsc1)c1ccc(Br)cc1N ZINC000035718712 172373280 /nfs/dbraw/zinc/37/32/80/172373280.db2.gz UMFWKTRMGHSQNX-UHFFFAOYSA-N 0 0 297.221 3.729 10 0 CHAERN Cc1nc2cc(N(C)Cc3ccsc3)c(N)cc2s1 ZINC000035718661 172373596 /nfs/dbraw/zinc/37/35/96/172373596.db2.gz FCMBFVUAYOQIOX-UHFFFAOYSA-N 0 0 289.429 3.885 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719497 172374495 /nfs/dbraw/zinc/37/44/95/172374495.db2.gz FZNKXUNIGIICGA-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccco1 ZINC000035738858 172392740 /nfs/dbraw/zinc/39/27/40/172392740.db2.gz NYCZWGNTBCYXDK-VHSXEESVSA-N 0 0 251.276 3.970 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccco1)c1nc2ccccc2n1C ZINC000035738796 172392850 /nfs/dbraw/zinc/39/28/50/172392850.db2.gz TWDKACNBCZRFAJ-NWDGAFQWSA-N 0 0 269.348 3.578 10 0 CHAERN C[C@@H](Nc1ccc(Br)cn1)c1ccco1 ZINC000035739519 172394198 /nfs/dbraw/zinc/39/41/98/172394198.db2.gz QGPVCBUUVACFKA-MRVPVSSYSA-N 0 0 267.126 3.610 10 0 CHAERN COC(=O)C[C@@H](C)Sc1ccc(C(C)C)cc1 ZINC000035741022 172394923 /nfs/dbraw/zinc/39/49/23/172394923.db2.gz CMNOFAODPCLTNA-LLVKDONJSA-N 0 0 252.379 3.854 10 0 CHAERN COc1cc(N)ccc1Cc1cccc(Cl)c1F ZINC000035940712 172426268 /nfs/dbraw/zinc/42/62/68/172426268.db2.gz OXLYVIPARMHHLQ-UHFFFAOYSA-N 0 0 265.715 3.661 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc(F)cc2F)c1 ZINC000036324152 172608470 /nfs/dbraw/zinc/60/84/70/172608470.db2.gz RTISVYBSGCAJKA-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN CCOc1ccccc1[C@H](C)Nc1c(C)n[nH]c1C ZINC000036735963 172666056 /nfs/dbraw/zinc/66/60/56/172666056.db2.gz CFKQGDASZGPQOC-JTQLQIEISA-N 0 0 259.353 3.598 10 0 CHAERN O=C(c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000036943115 172818642 /nfs/dbraw/zinc/81/86/42/172818642.db2.gz GFXDJSLXYSKMBE-JTQLQIEISA-N 0 0 264.733 3.588 10 0 CHAERN COC(=O)c1cc(NCc2ccc(C)s2)ccc1F ZINC000037048878 172914407 /nfs/dbraw/zinc/91/44/07/172914407.db2.gz MADHTMBVQIXSMX-UHFFFAOYSA-N 0 0 279.336 3.594 10 0 CHAERN CN(c1ccc(C(F)(F)F)cc1N)C1CCCC1 ZINC000037084002 172942016 /nfs/dbraw/zinc/94/20/16/172942016.db2.gz WQAWMLRSSMNSJZ-UHFFFAOYSA-N 0 0 258.287 3.666 10 0 CHAERN Nc1cnccc1SCc1ccc(Cl)cc1 ZINC000037190276 173019825 /nfs/dbraw/zinc/01/98/25/173019825.db2.gz YGHZFMSZYYZHJA-UHFFFAOYSA-N 0 0 250.754 3.610 10 0 CHAERN Nc1ccc(SCc2nc3ccccc3o2)c(F)c1 ZINC000037194322 173022830 /nfs/dbraw/zinc/02/28/30/173022830.db2.gz OPDOBUFTZDGDMK-UHFFFAOYSA-N 0 0 274.320 3.841 10 0 CHAERN Cn1cc(N[C@@H]2CCOc3c(Cl)cc(Cl)cc32)cn1 ZINC000037260075 173069707 /nfs/dbraw/zinc/06/97/07/173069707.db2.gz FAIJZPSLGBUAGZ-GFCCVEGCSA-N 0 0 298.173 3.663 10 0 CHAERN CCCOc1ccccc1N[C@@H]1CCCC[C@H]1OC ZINC000037278240 173088496 /nfs/dbraw/zinc/08/84/96/173088496.db2.gz USDQUDYCGYTYOQ-UKRRQHHQSA-N 0 0 263.381 3.845 10 0 CHAERN COc1ccccc1C[C@@H](C)Nc1cccnc1Cl ZINC000037283660 173091050 /nfs/dbraw/zinc/09/10/50/173091050.db2.gz XJUQIWCHQDXXAX-LLVKDONJSA-N 0 0 276.767 3.787 10 0 CHAERN Cc1ccc(SCc2ccc(O)c(N)c2)cc1C ZINC000037285700 173092062 /nfs/dbraw/zinc/09/20/62/173092062.db2.gz QTVIJXCXWILBPQ-UHFFFAOYSA-N 0 0 259.374 3.884 10 0 CHAERN COC(=O)CCCNc1cc(C(F)(F)F)ccc1Cl ZINC000037286429 173092630 /nfs/dbraw/zinc/09/26/30/173092630.db2.gz LQQTZIVRJTUOSL-UHFFFAOYSA-N 0 0 295.688 3.724 10 0 CHAERN CCCc1ccc(N2Cc3ccc(N)cc3C2)cc1 ZINC000037287557 173093676 /nfs/dbraw/zinc/09/36/76/173093676.db2.gz AIHDNLSKFSJDEU-UHFFFAOYSA-N 0 0 252.361 3.742 10 0 CHAERN CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C=O ZINC000037326817 173128016 /nfs/dbraw/zinc/12/80/16/173128016.db2.gz IPSTWTNQUVRVPI-UHFFFAOYSA-N 0 0 262.740 3.636 10 0 CHAERN CC[C@@H](C(=O)c1ccccc1)n1ccnc1C(C)C ZINC000037340462 173142137 /nfs/dbraw/zinc/14/21/37/173142137.db2.gz BQQRBNMAIMXXTK-AWEZNQCLSA-N 0 0 256.349 3.841 10 0 CHAERN Cc1ccccc1-c1c(N)onc1-c1ccccc1 ZINC000037349738 173144437 /nfs/dbraw/zinc/14/44/37/173144437.db2.gz RJFRIBWHSPCMQJ-UHFFFAOYSA-N 0 0 250.301 3.899 10 0 CHAERN COc1cc(-c2c(N)onc2C2CCC2)ccc1C ZINC000037350917 173144485 /nfs/dbraw/zinc/14/44/85/173144485.db2.gz NIAYQGHAOMCHPY-UHFFFAOYSA-N 0 0 258.321 3.508 10 0 CHAERN CC(C)c1nn(C)c(N)c1-c1ccc(C(C)C)cc1 ZINC000037352241 173145511 /nfs/dbraw/zinc/14/55/11/173145511.db2.gz VWDDGHZMFMNWIV-UHFFFAOYSA-N 0 0 257.381 3.916 10 0 CHAERN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCO1 ZINC000037354715 173147151 /nfs/dbraw/zinc/14/71/51/173147151.db2.gz BNNDSCOPKNEHBS-MRXNPFEDSA-N 0 0 252.313 3.715 10 0 CHAERN O=C(Cc1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000037361374 173150695 /nfs/dbraw/zinc/15/06/95/173150695.db2.gz NYHQQUBWCPDDOP-UHFFFAOYSA-N 0 0 253.276 3.732 10 0 CHAERN C[C@H]1CCC[C@@H](Oc2ccc3ncccc3c2N)C1 ZINC000037378662 173166996 /nfs/dbraw/zinc/16/69/96/173166996.db2.gz RJUSUMQQHGPPTM-NWDGAFQWSA-N 0 0 256.349 3.775 10 0 CHAERN O[C@]1(c2cccc(F)c2)CCCCc2ccccc21 ZINC000037529097 173252467 /nfs/dbraw/zinc/25/24/67/173252467.db2.gz XPSXKKAJVGRFAF-KRWDZBQOSA-N 0 0 256.320 3.788 10 0 CHAERN CCC[C@](O)(c1ccccc1)c1ccc(OC)cc1 ZINC000037529353 173252969 /nfs/dbraw/zinc/25/29/69/173252969.db2.gz NGFKAHYAFCBKFR-KRWDZBQOSA-N 0 0 256.345 3.731 10 0 CHAERN Cc1ccccc1C[C@H](O)Cc1ccc(Cl)cc1 ZINC000037532657 173254027 /nfs/dbraw/zinc/25/40/27/173254027.db2.gz PGOYATNUQBVKFC-MRXNPFEDSA-N 0 0 260.764 3.795 10 0 CHAERN Cn1c(-c2ccc(F)c(N)c2)nc2cccc(Cl)c21 ZINC000037600105 173553878 /nfs/dbraw/zinc/55/38/78/173553878.db2.gz JNAOCOGVPMOYMM-UHFFFAOYSA-N 0 0 275.714 3.615 10 0 CHAERN CCC[C@H](C)CNc1ccc(Cl)c(C(=O)NC)c1 ZINC000037778930 173709907 /nfs/dbraw/zinc/70/99/07/173709907.db2.gz BPJMRMISFIGTKL-JTQLQIEISA-N 0 0 268.788 3.548 10 0 CHAERN CCOC(=O)C1(Nc2ccccc2C)CCCCC1 ZINC000037954801 173896504 /nfs/dbraw/zinc/89/65/04/173896504.db2.gz SIQMEVJZXSMVNS-UHFFFAOYSA-N 0 0 261.365 3.673 10 0 CHAERN COC(=O)[C@@H](Nc1ccccc1Cl)C1CCCCC1 ZINC000037955193 173896802 /nfs/dbraw/zinc/89/68/02/173896802.db2.gz WVQNOFGDHBNZDC-AWEZNQCLSA-N 0 0 281.783 3.874 10 0 CHAERN CCOC(=O)[C@](C)(NC1CCCC1)c1ccccc1Cl ZINC000037970543 173920893 /nfs/dbraw/zinc/92/08/93/173920893.db2.gz WZINIWYXVQXNFD-MRXNPFEDSA-N 0 0 295.810 3.651 10 0 CHAERN Cc1cc(Oc2ccc(Cl)nn2)ccc1Cl ZINC000037977890 173934703 /nfs/dbraw/zinc/93/47/03/173934703.db2.gz MLMPLLOPZFWDFE-UHFFFAOYSA-N 0 0 255.104 3.884 10 0 CHAERN CCN(Cc1cccc(C)c1)C(=O)c1ccc(F)cc1 ZINC000037983644 173945346 /nfs/dbraw/zinc/94/53/46/173945346.db2.gz UNWDBXCPMWMEKP-UHFFFAOYSA-N 0 0 271.335 3.796 10 0 CHAERN CC[C@@H](Cc1cc(F)ccc1Br)C(C)=O ZINC000038004176 173965870 /nfs/dbraw/zinc/96/58/70/173965870.db2.gz FBFWIPKSOURVHN-VIFPVBQESA-N 0 0 273.145 3.746 10 0 CHAERN C[C@@H](c1c(F)cccc1F)N1CCc2c(N)cccc2C1 ZINC000038032643 174029271 /nfs/dbraw/zinc/02/92/71/174029271.db2.gz CNDMXSQLZPUGBR-NSHDSACASA-N 0 0 288.341 3.666 10 0 CHAERN CCN(Cc1ccccc1C)c1c(F)cc(N)cc1F ZINC000038040176 174040571 /nfs/dbraw/zinc/04/05/71/174040571.db2.gz NHAVBDWHXPLOFX-UHFFFAOYSA-N 0 0 276.330 3.882 10 0 CHAERN Cc1ccc(C)c(C(=O)[C@@H](C)n2cc(Cl)cn2)c1 ZINC000038053817 174065045 /nfs/dbraw/zinc/06/50/45/174065045.db2.gz VPTUKTZICLYIPH-LLVKDONJSA-N 0 0 262.740 3.597 10 0 CHAERN Cc1cc(C)cc(COc2ccc([C@H](C)O)cc2)c1 ZINC000038076900 174087433 /nfs/dbraw/zinc/08/74/33/174087433.db2.gz HLRMOYGOZSWECA-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1ccc2cccc(Oc3nsnc3Cl)c2n1 ZINC000038082406 174091005 /nfs/dbraw/zinc/09/10/05/174091005.db2.gz JXDMLFUWOYHEDQ-UHFFFAOYSA-N 0 0 277.736 3.840 10 0 CHAERN CCCOc1ccccc1Oc1cncc(Cl)n1 ZINC000038082184 174091105 /nfs/dbraw/zinc/09/11/05/174091105.db2.gz PEWPWCINWOPFHP-UHFFFAOYSA-N 0 0 264.712 3.711 10 0 CHAERN Cc1ccsc1C(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000038090071 174103163 /nfs/dbraw/zinc/10/31/63/174103163.db2.gz JSWVRNRVLKNVEX-LLVKDONJSA-N 0 0 275.373 3.595 10 0 CHAERN CC(=O)Nc1ccc(C)cc1C(=O)c1cc2ccccc2[nH]1 ZINC000038274253 174138298 /nfs/dbraw/zinc/13/82/98/174138298.db2.gz WXAXXBOOMSPODO-UHFFFAOYSA-N 0 0 292.338 3.666 10 0 CHAERN Nc1cccnc1NCc1ccc(Cl)cc1Cl ZINC000038549200 174145899 /nfs/dbraw/zinc/14/58/99/174145899.db2.gz RDEXRMICUXECCG-UHFFFAOYSA-N 0 0 268.147 3.583 10 0 CHAERN CCSc1csc(NC(=O)OC(C)(C)C)n1 ZINC000039123765 174163642 /nfs/dbraw/zinc/16/36/42/174163642.db2.gz RXHGRWWYDHPVRG-UHFFFAOYSA-N 0 0 260.384 3.602 10 0 CHAERN CC(C)(c1[nH]cnc1-c1ccc(F)cc1)c1ccncc1 ZINC000039134179 174164339 /nfs/dbraw/zinc/16/43/39/174164339.db2.gz OQEKQUVSTNLAII-UHFFFAOYSA-N 0 0 281.334 3.937 10 0 CHAERN O=C1CCCc2cccc(OCc3ccccc3)c21 ZINC000039647500 174171660 /nfs/dbraw/zinc/17/16/60/174171660.db2.gz FHXGYNYDJHICOK-UHFFFAOYSA-N 0 0 252.313 3.785 10 0 CHAERN CCCN(CCC)c1ccc(N)c(C(F)(F)F)c1 ZINC000040162536 174196998 /nfs/dbraw/zinc/19/69/98/174196998.db2.gz IUQSZQXITLURPN-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN Cc1ccc([C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000040244340 174214285 /nfs/dbraw/zinc/21/42/85/174214285.db2.gz LXRWVORISZYEEP-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN CCOc1ccccc1[C@@H](O)c1ccc(Cl)cc1 ZINC000040243816 174214350 /nfs/dbraw/zinc/21/43/50/174214350.db2.gz CIFCMUHNBUFDBW-HNNXBMFYSA-N 0 0 262.736 3.820 10 0 CHAERN COc1ccc(F)cc1[C@H](O)c1ccccc1Cl ZINC000040258381 174216652 /nfs/dbraw/zinc/21/66/52/174216652.db2.gz NUPIZMJKLUAICO-CQSZACIVSA-N 0 0 266.699 3.569 10 0 CHAERN O[C@@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000040260224 174216688 /nfs/dbraw/zinc/21/66/88/174216688.db2.gz CXDSSQSKNSGCRN-QMMMGPOBSA-N 0 0 259.054 3.979 10 0 CHAERN Cc1ccccc1Cn1c2cc(C)c(C)cc2nc1CO ZINC000040308828 174229760 /nfs/dbraw/zinc/22/97/60/174229760.db2.gz DXJKOBQCSXTRQL-UHFFFAOYSA-N 0 0 280.371 3.502 10 0 CHAERN O=C(Nc1ccnc2ccc(Cl)cc21)c1ccccc1O ZINC000040308382 174229789 /nfs/dbraw/zinc/22/97/89/174229789.db2.gz BSQUBHUVKHHUMA-UHFFFAOYSA-N 0 0 298.729 3.846 10 0 CHAERN CC(C)(C)c1ccc([C@@H](O)COc2cccc(N)c2)cc1 ZINC000040352172 174245082 /nfs/dbraw/zinc/24/50/82/174245082.db2.gz XTYZILYIQILAEU-KRWDZBQOSA-N 0 0 285.387 3.679 10 0 CHAERN CC[C@H](Oc1ccc(C)cc1N)C(=O)c1ccc(C)cc1 ZINC000040354275 174245439 /nfs/dbraw/zinc/24/54/39/174245439.db2.gz WFAZCVSGGLUVNM-INIZCTEOSA-N 0 0 283.371 3.926 10 0 CHAERN OCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040401032 174253170 /nfs/dbraw/zinc/25/31/70/174253170.db2.gz DUXGTSMFCXAOFX-UHFFFAOYSA-N 0 0 278.783 3.730 10 0 CHAERN Cc1nc2ccccc2c(N(C)c2ccc(F)cc2)n1 ZINC000040404545 174253655 /nfs/dbraw/zinc/25/36/55/174253655.db2.gz GIMUSHRRSQOELU-UHFFFAOYSA-N 0 0 267.307 3.845 10 0 CHAERN CCc1nc2cc(C(F)(F)F)ccc2n1CCCOC ZINC000040402582 174253672 /nfs/dbraw/zinc/25/36/72/174253672.db2.gz WMXRBMUPFIKVHU-UHFFFAOYSA-N 0 0 286.297 3.654 10 0 CHAERN COCCn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040404433 174253707 /nfs/dbraw/zinc/25/37/07/174253707.db2.gz NMGNGEGMTRTKIC-UHFFFAOYSA-N 0 0 286.297 3.825 10 0 CHAERN CCOc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040704221 174378994 /nfs/dbraw/zinc/37/89/94/174378994.db2.gz JVGBEYHKRIAFTO-UHFFFAOYSA-N 0 0 299.161 3.508 10 0 CHAERN CCNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703948 174379133 /nfs/dbraw/zinc/37/91/33/174379133.db2.gz HSXMYQRUFFCYHL-UHFFFAOYSA-N 0 0 298.177 3.541 10 0 CHAERN Cc1cc(OCCCC(=O)NC(C)C)cc(C)c1Cl ZINC000040912694 174432744 /nfs/dbraw/zinc/43/27/44/174432744.db2.gz YMEMNJZPPXXRSM-UHFFFAOYSA-N 0 0 283.799 3.640 10 0 CHAERN CC(=O)c1sc2nc(-c3ccc(C)cc3)cn2c1C ZINC000041005664 174447994 /nfs/dbraw/zinc/44/79/94/174447994.db2.gz DKZITTMNCYUEBM-UHFFFAOYSA-N 0 0 270.357 3.882 10 0 CHAERN Cc1ccc(C)c(COc2ccccc2[C@H](C)O)c1 ZINC000041326775 174523042 /nfs/dbraw/zinc/52/30/42/174523042.db2.gz ZAQANTOWIZVTJR-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN CCOc1ccccc1[C@@H](O)Cc1ccccc1C ZINC000041326718 174523053 /nfs/dbraw/zinc/52/30/53/174523053.db2.gz BFUSLHXBZHNZMG-INIZCTEOSA-N 0 0 256.345 3.670 10 0 CHAERN Cc1c2ncoc2c(Br)c(C)c1Cl ZINC000041569182 174568253 /nfs/dbraw/zinc/56/82/53/174568253.db2.gz GYJHVKSASSVXDN-UHFFFAOYSA-N 0 0 260.518 3.861 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)C(C)(C)Br)c1 ZINC000041672103 174600601 /nfs/dbraw/zinc/60/06/01/174600601.db2.gz UBXWFKDQNRULDG-UHFFFAOYSA-N 0 0 290.588 3.760 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Nc1ccccc1C(N)=S ZINC000042582448 174806053 /nfs/dbraw/zinc/80/60/53/174806053.db2.gz WJTFWLIYIBKVHE-DGCLKSJQSA-N 0 0 262.422 3.702 10 0 CHAERN CCCN(CC(F)(F)F)c1ccc(F)cc1C(C)=O ZINC000042768349 174869917 /nfs/dbraw/zinc/86/99/17/174869917.db2.gz RYTSIFJVOQMGQH-UHFFFAOYSA-N 0 0 277.261 3.807 10 0 CHAERN C[C@](O)(c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000043368177 175027875 /nfs/dbraw/zinc/02/78/75/175027875.db2.gz ADLOQPOIMVVTIB-QMMMGPOBSA-N 0 0 259.054 3.763 10 0 CHAERN O[C@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043391964 175034427 /nfs/dbraw/zinc/03/44/27/175034427.db2.gz HCRADMITFNPBDR-CYBMUJFWSA-N 0 0 272.653 3.839 10 0 CHAERN Oc1ccc(CNc2ccccc2F)cc1Cl ZINC000043476886 175054710 /nfs/dbraw/zinc/05/47/10/175054710.db2.gz KIHMGGAHAVVALC-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN COc1ccccc1NCc1ccc(O)c(Cl)c1 ZINC000043476667 175054830 /nfs/dbraw/zinc/05/48/30/175054830.db2.gz NWLMICDHFDVHHU-UHFFFAOYSA-N 0 0 263.724 3.666 10 0 CHAERN O[C@H]1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000043658467 175085930 /nfs/dbraw/zinc/08/59/30/175085930.db2.gz BMLIQHBCFAMJGD-FZMZJTMJSA-N 0 0 299.208 3.769 10 0 CHAERN CCc1c(C)nn(Cc2ccc(Br)s2)c1C ZINC000043679010 175089825 /nfs/dbraw/zinc/08/98/25/175089825.db2.gz ZMHHQNYVEMAIGJ-UHFFFAOYSA-N 0 0 299.237 3.935 10 0 CHAERN CC(C)CC(=O)N(Cc1ccsc1)CC(F)(F)F ZINC000044447429 175176299 /nfs/dbraw/zinc/17/62/99/175176299.db2.gz WNGABJCESQUBSA-UHFFFAOYSA-N 0 0 279.327 3.685 10 0 CHAERN CCOC(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000044628788 175221797 /nfs/dbraw/zinc/22/17/97/175221797.db2.gz HAGQOFXXGAPPBQ-UHFFFAOYSA-N 0 0 270.115 3.718 10 0 CHAERN Cn1c2cc(Cl)ccc2cc1-c1cncc(C=O)c1 ZINC000045673176 175382131 /nfs/dbraw/zinc/38/21/31/175382131.db2.gz FWGFOXHUSCTJAC-UHFFFAOYSA-N 0 0 270.719 3.706 10 0 CHAERN CCCCN(CC)C(=O)c1ccccc1NCCC ZINC000050721669 175518473 /nfs/dbraw/zinc/51/84/73/175518473.db2.gz IRUKOYWLENCTNW-UHFFFAOYSA-N 0 0 262.397 3.771 10 0 CHAERN CCc1csc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000064555052 175695462 /nfs/dbraw/zinc/69/54/62/175695462.db2.gz MEUCUTRMTJRBKW-ZDUSSCGKSA-N 0 0 292.448 3.602 10 0 CHAERN Oc1cc(Br)cc(-c2ccccc2O)c1 ZINC000065343746 175713446 /nfs/dbraw/zinc/71/34/46/175713446.db2.gz URWNPOJXWRWQDY-UHFFFAOYSA-N 0 0 265.106 3.527 10 0 CHAERN Clc1ccc(Cc2nnc(Br)s2)cc1 ZINC000071051550 176030269 /nfs/dbraw/zinc/03/02/69/176030269.db2.gz VCFJIQZDRWJWAX-UHFFFAOYSA-N 0 0 289.585 3.545 10 0 CHAERN Fc1cc(Br)ccc1-c1nc2cc[nH]cc-2n1 ZINC000071166816 176049081 /nfs/dbraw/zinc/04/90/81/176049081.db2.gz WZALVMQNKRIXGP-UHFFFAOYSA-N 0 0 292.111 3.527 10 0 CHAERN Clc1ccc(Cc2nc3cc[nH]cc-3n2)cc1Cl ZINC000071166874 176049554 /nfs/dbraw/zinc/04/95/54/176049554.db2.gz WBPXZVSXRRXFKJ-UHFFFAOYSA-N 0 0 278.142 3.856 10 0 CHAERN C[C@H](Oc1cccc(Cl)c1)c1nc2cc[nH]cc-2n1 ZINC000071166845 176049566 /nfs/dbraw/zinc/04/95/66/176049566.db2.gz ZLLIFJOHQYOTNQ-VIFPVBQESA-N 0 0 273.723 3.751 10 0 CHAERN Cc1cccc(CN(C)c2nnc(Cl)c(C)c2C)c1 ZINC000071171451 176051835 /nfs/dbraw/zinc/05/18/35/176051835.db2.gz AIOLLUMRKRDQDY-UHFFFAOYSA-N 0 0 275.783 3.692 10 0 CHAERN C[C@H]1CCC[C@@H]1Nc1cc(Cl)ccc1C(N)=S ZINC000071209594 176082208 /nfs/dbraw/zinc/08/22/08/176082208.db2.gz NZXHMIZEFDUMAA-KWQFWETISA-N 0 0 268.813 3.575 10 0 CHAERN Cc1ccc2oc([C@@H](N)c3cccc(F)c3)cc2c1 ZINC000071406788 176156293 /nfs/dbraw/zinc/15/62/93/176156293.db2.gz MXHJVXWTHAWDNY-INIZCTEOSA-N 0 0 255.292 3.928 10 0 CHAERN CCc1cc2nc(-c3ccccc3)cc(Cl)n2n1 ZINC000071466763 176182920 /nfs/dbraw/zinc/18/29/20/176182920.db2.gz MCMCQQRNGRKQJI-UHFFFAOYSA-N 0 0 257.724 3.612 10 0 CHAERN Cc1c(Br)c2cc(Cl)ccc2n1C ZINC000071494963 176191578 /nfs/dbraw/zinc/19/15/78/176191578.db2.gz RLPOPNDFDVXZTL-UHFFFAOYSA-N 0 0 258.546 3.903 10 0 CHAERN Nc1nc(CSc2ccc(Cl)s2)cs1 ZINC000071595102 176218076 /nfs/dbraw/zinc/21/80/76/176218076.db2.gz KOHWTTWIONVCNG-UHFFFAOYSA-N 0 0 262.812 3.733 10 0 CHAERN COc1ccc(C)cc1-c1cc(Cl)nc(Cl)n1 ZINC000071600251 176226103 /nfs/dbraw/zinc/22/61/03/176226103.db2.gz IHIXPIVCIILHBA-UHFFFAOYSA-N 0 0 269.131 3.767 10 0 CHAERN CC(=O)c1csc(Nc2ccc(Br)cc2)n1 ZINC000071651758 176241679 /nfs/dbraw/zinc/24/16/79/176241679.db2.gz MGJGGKRIBWPMEO-UHFFFAOYSA-N 0 0 297.177 3.852 10 0 CHAERN FC(F)(F)c1cccc(-n2cnc(Br)c2)c1 ZINC000072193532 176336864 /nfs/dbraw/zinc/33/68/64/176336864.db2.gz LEDLFWRUKMGVGJ-UHFFFAOYSA-N 0 0 291.070 3.654 10 0 CHAERN CCOc1ccc2nccc(Nc3cccc(N)c3)c2c1 ZINC000072237242 176346315 /nfs/dbraw/zinc/34/63/15/176346315.db2.gz GTDPNDJQMDUFHV-UHFFFAOYSA-N 0 0 279.343 3.959 10 0 CHAERN CCOC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000077051545 177162576 /nfs/dbraw/zinc/16/25/76/177162576.db2.gz IWYBNMQBSPKPRB-RAXLEYEMSA-N 0 0 282.339 3.842 10 0 CHAERN Cc1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1N ZINC000078400713 177337799 /nfs/dbraw/zinc/33/77/99/177337799.db2.gz QOSIYTIHMMZQEP-UHFFFAOYSA-N 0 0 257.724 3.774 10 0 CHAERN O=C(Nc1ncccc1Cl)[C@H]1C[C@H]1C1CCCCC1 ZINC000179974593 260084742 /nfs/dbraw/zinc/08/47/42/260084742.db2.gz PNHZVSOSLFYTIP-RYUDHWBXSA-N 0 0 278.783 3.890 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[C@@H]32)c1C ZINC000334707068 225282086 /nfs/dbraw/zinc/28/20/86/225282086.db2.gz BZOGZRJDETWBPT-AAEUAGOBSA-N 0 0 278.783 3.973 10 0 CHAERN Cc1cc(NC(=O)N2C[C@H]3CCC[C@H]32)c(Cl)cc1F ZINC000335003942 225392352 /nfs/dbraw/zinc/39/23/52/225392352.db2.gz HMCYILSBZZTHEH-NOZJJQNGSA-N 0 0 282.746 3.804 10 0 CHAERN C[C@@H](NC(=O)N1CCS[C@H](C)C1)c1cccc(Cl)c1 ZINC000171727208 335076128 /nfs/dbraw/zinc/07/61/28/335076128.db2.gz BKXLCQIQWMMROL-GHMZBOCLSA-N 0 0 298.839 3.548 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)CC(F)F)cc1 ZINC000171727581 335076145 /nfs/dbraw/zinc/07/61/45/335076145.db2.gz LOJDJCLUNFSNDO-NSHDSACASA-N 0 0 284.350 3.778 10 0 CHAERN Clc1ccc2c(c1)ncnc2N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301405345 227529800 /nfs/dbraw/zinc/52/98/00/227529800.db2.gz GGCHZBMDYHOFGI-RYUDHWBXSA-N 0 0 285.778 3.686 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nnc(C(C)(C)C)[nH]1 ZINC000333092228 228190172 /nfs/dbraw/zinc/19/01/72/228190172.db2.gz SZEQDPZYTOEOPT-UHFFFAOYSA-N 0 0 294.424 3.814 10 0 CHAERN Cc1ocnc1-c1noc(C2=CCC(C)(C)CC2)n1 ZINC000333377443 228198600 /nfs/dbraw/zinc/19/86/00/228198600.db2.gz ALEBZYOPUWRSHP-UHFFFAOYSA-N 0 0 259.309 3.627 10 0 CHAERN Clc1cnccc1Cc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000333599661 228206422 /nfs/dbraw/zinc/20/64/22/228206422.db2.gz QGRBUMLEXIAQED-YABSGUDNSA-N 0 0 289.766 3.612 10 0 CHAERN Cc1ccc([C@@H](C)NCc2csc(-c3ccccn3)n2)o1 ZINC000035054630 260006872 /nfs/dbraw/zinc/00/68/72/260006872.db2.gz UCOLBJYNPUQNBB-GFCCVEGCSA-N 0 0 299.399 3.957 10 0 CHAERN CCOc1ccccc1CNc1ccccc1COC ZINC000036938481 260054015 /nfs/dbraw/zinc/05/40/15/260054015.db2.gz NPYOBKGJIRNJDY-UHFFFAOYSA-N 0 0 271.360 3.844 10 0 CHAERN Cc1ccc(N[C@H]2CC(=O)N(C)c3ccccc32)c(F)c1 ZINC000037244168 260077341 /nfs/dbraw/zinc/07/73/41/260077341.db2.gz UEXOFESJZUFBQQ-HNNXBMFYSA-N 0 0 284.334 3.654 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)o1 ZINC000180414917 260101402 /nfs/dbraw/zinc/10/14/02/260101402.db2.gz SUNUCDIXRYCPKN-HIFRSBDPSA-N 0 0 285.387 3.952 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)CCC2CCOCC2)CC(C)(C)C1 ZINC000180431252 260101958 /nfs/dbraw/zinc/10/19/58/260101958.db2.gz NAYQKQNQKAKQHI-GDBMZVCRSA-N 0 0 295.467 3.724 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1CCCC12CCCC2 ZINC000312519000 260138856 /nfs/dbraw/zinc/13/88/56/260138856.db2.gz OGGPZJYDUJXEIQ-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1 ZINC000230054929 260145260 /nfs/dbraw/zinc/14/52/60/260145260.db2.gz WHUDALCAJAMQOI-GXFFZTMASA-N 0 0 296.208 3.502 10 0 CHAERN Cc1sc2ncnc(N[C@@H]3COc4ccccc43)c2c1C ZINC000070199016 260154188 /nfs/dbraw/zinc/15/41/88/260154188.db2.gz RMUPQKKKIJXULD-GFCCVEGCSA-N 0 0 297.383 3.854 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1CC[C@H]2CCCC[C@H]21 ZINC000079863926 260177783 /nfs/dbraw/zinc/17/77/83/260177783.db2.gz JLHVPSOPBBPUAI-IUODEOHRSA-N 0 0 268.360 3.573 10 0 CHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000041786920 260185370 /nfs/dbraw/zinc/18/53/70/260185370.db2.gz WNSXQZPTSPUYCL-UHFFFAOYSA-N 0 0 277.311 3.599 10 0 CHAERN FC(F)(F)c1ccnn1-c1ccc(Br)cc1 ZINC000051395997 260208941 /nfs/dbraw/zinc/20/89/41/260208941.db2.gz GWMAQBTUQPNVSW-UHFFFAOYSA-N 0 0 291.070 3.654 10 0 CHAERN COc1ccc(OC)c([C@@H](C)Nc2cccnc2C)c1 ZINC000091495943 260266458 /nfs/dbraw/zinc/26/64/58/260266458.db2.gz YYVUCWYCLGKSHE-LLVKDONJSA-N 0 0 272.348 3.580 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(F)c1 ZINC000094195670 260390650 /nfs/dbraw/zinc/39/06/50/260390650.db2.gz SIFZTURYGXHQLA-KRWDZBQOSA-N 0 0 283.346 3.942 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000181253484 260575494 /nfs/dbraw/zinc/57/54/94/260575494.db2.gz JBILBQDQFLRNJE-SKDRFNHKSA-N 0 0 291.361 3.746 10 0 CHAERN CCn1ccnc1CNc1ccccc1C(C)(C)C ZINC000051921870 260974855 /nfs/dbraw/zinc/97/48/55/260974855.db2.gz LCLZKBFVRMOWIA-UHFFFAOYSA-N 0 0 257.381 3.813 10 0 CHAERN CC1(C)C[C@H](NC(=O)Nc2ccccn2)c2ccccc2O1 ZINC000152093232 261059637 /nfs/dbraw/zinc/05/96/37/261059637.db2.gz KLQOGTXAOGJXTQ-ZDUSSCGKSA-N 0 0 297.358 3.506 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CCCC1 ZINC000172089995 261073456 /nfs/dbraw/zinc/07/34/56/261073456.db2.gz XFALSRNKOSLWOE-ZLKJLUDKSA-N 0 0 293.357 3.763 10 0 CHAERN CCOC(=O)c1csc(N[C@H](C)c2cccs2)n1 ZINC000155831221 261108835 /nfs/dbraw/zinc/10/88/35/261108835.db2.gz DVXZUQIYEPWDQB-MRVPVSSYSA-N 0 0 282.390 3.554 10 0 CHAERN C[C@H](CC(=O)N[C@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000158559406 261167130 /nfs/dbraw/zinc/16/71/30/261167130.db2.gz QHXZAAUAJCFPPW-NRUUGDAUSA-N 0 0 285.309 3.724 10 0 CHAERN C[C@H](CC(=O)N[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000158559265 261167182 /nfs/dbraw/zinc/16/71/82/261167182.db2.gz QHXZAAUAJCFPPW-BREBYQMCSA-N 0 0 285.309 3.724 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2sccc2C)o1 ZINC000161535366 261250495 /nfs/dbraw/zinc/25/04/95/261250495.db2.gz WCFXYZXNAMSGKV-RWMBFGLXSA-N 0 0 289.400 3.939 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccsc3)c21 ZINC000103129545 261276191 /nfs/dbraw/zinc/27/61/91/261276191.db2.gz CXQWWCZLFICHKD-UHFFFAOYSA-N 0 0 284.384 3.510 10 0 CHAERN COc1ccc2nc(C(=O)N3[C@H](C)CCC[C@H]3C)ccc2c1 ZINC000103368153 261279149 /nfs/dbraw/zinc/27/91/49/261279149.db2.gz QWNMNEIZBREVBO-CHWSQXEVSA-N 0 0 298.386 3.647 10 0 CHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103403970 261281878 /nfs/dbraw/zinc/28/18/78/261281878.db2.gz MECMCCIIAWMEDH-OLZOCXBDSA-N 0 0 295.448 3.647 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000162633139 261289451 /nfs/dbraw/zinc/28/94/51/261289451.db2.gz DQOLMSLWPNQWAH-MLGOLLRUSA-N 0 0 255.361 3.707 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(Cl)cc1 ZINC000176520847 261292517 /nfs/dbraw/zinc/29/25/17/261292517.db2.gz XDNCUSIEKQOSBF-CUOATXAZSA-N 0 0 263.768 3.563 10 0 CHAERN CO[C@@H](C)c1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105607202 261311353 /nfs/dbraw/zinc/31/13/53/261311353.db2.gz BRFJGLRBKZIJMA-NSHDSACASA-N 0 0 299.330 3.649 10 0 CHAERN Cc1ccccc1SCc1nc(-c2ccoc2)no1 ZINC000105573525 261312418 /nfs/dbraw/zinc/31/24/18/261312418.db2.gz ZYZSSESCVUWUPC-UHFFFAOYSA-N 0 0 272.329 3.930 10 0 CHAERN CSc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606336 261313204 /nfs/dbraw/zinc/31/32/04/261313204.db2.gz KASPLVRJSCCKEM-UHFFFAOYSA-N 0 0 287.344 3.664 10 0 CHAERN Cc1ccc(NCc2nc(-c3ccoc3)no2)cc1Cl ZINC000105606447 261313387 /nfs/dbraw/zinc/31/33/87/261313387.db2.gz UWOXYSCHUYZLGS-UHFFFAOYSA-N 0 0 289.722 3.904 10 0 CHAERN CC(C)Oc1cccc(CSCC(=O)NC(C)(C)C)c1 ZINC000105632699 261314260 /nfs/dbraw/zinc/31/42/60/261314260.db2.gz HIDNHFMFOYZDNS-UHFFFAOYSA-N 0 0 295.448 3.622 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1cc(F)ccc1F ZINC000176899951 261317374 /nfs/dbraw/zinc/31/73/74/261317374.db2.gz YTAINSMTNFIDMV-VIFPVBQESA-N 0 0 298.362 3.527 10 0 CHAERN CC(=O)c1c(F)cccc1N1CCC[C@H](C(F)(F)F)C1 ZINC000105881093 261362134 /nfs/dbraw/zinc/36/21/34/261362134.db2.gz PPOAAYBNKKWXIQ-JTQLQIEISA-N 0 0 289.272 3.807 10 0 CHAERN COc1ccc(Cl)c(N[C@H](C)c2cncs2)c1 ZINC000165766318 261376673 /nfs/dbraw/zinc/37/66/73/261376673.db2.gz QGCYXTYZVICPPR-MRVPVSSYSA-N 0 0 268.769 3.978 10 0 CHAERN CCc1csc([C@@H]2CCCN(C(=O)CC3CCC3)C2)n1 ZINC000173428475 261533055 /nfs/dbraw/zinc/53/30/55/261533055.db2.gz ONWBVWMOMQMKCD-CYBMUJFWSA-N 0 0 292.448 3.602 10 0 CHAERN CSC[C@H](C)NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000175085182 261594482 /nfs/dbraw/zinc/59/44/82/261594482.db2.gz MWIGBADFGMDEMV-WCQYABFASA-N 0 0 296.436 3.576 10 0 CHAERN CC(C(=O)N[C@@H]1CCOc2ccccc21)=C1CCCC1 ZINC000176508063 261655785 /nfs/dbraw/zinc/65/57/85/261655785.db2.gz RAKZMBYTSVXXDC-OAHLLOKOSA-N 0 0 271.360 3.517 10 0 CHAERN CC[C@@H](C)CN(CC)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000178458146 261743560 /nfs/dbraw/zinc/74/35/60/261743560.db2.gz NZSVCUVVVUTVRE-DGCLKSJQSA-N 0 0 266.385 3.727 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)C2CC2)o1 ZINC000178512770 261746578 /nfs/dbraw/zinc/74/65/78/261746578.db2.gz DMQKXLGSGWCFHE-WFASDCNBSA-N 0 0 275.392 3.942 10 0 CHAERN CC[C@H](C)N(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181928241 261767549 /nfs/dbraw/zinc/76/75/49/261767549.db2.gz QRIVSSIYWZLFRF-XEZPLFJOSA-N 0 0 274.408 3.668 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1ccc(F)cc1F ZINC000179823823 261818126 /nfs/dbraw/zinc/81/81/26/261818126.db2.gz MGWJLSHVOXTWBH-SECBINFHSA-N 0 0 297.374 3.879 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000188420144 262295833 /nfs/dbraw/zinc/29/58/33/262295833.db2.gz SMBYGMLQPCBMIC-HZPDHXFCSA-N 0 0 293.451 3.765 10 0 CHAERN CC(C)c1nnc(CSCCC(C)(C)C)n1C ZINC000187512071 263260811 /nfs/dbraw/zinc/26/08/11/263260811.db2.gz ALFCLPOJJSCZFV-UHFFFAOYSA-N 0 0 255.431 3.608 10 0 CHAERN C[C@@H](NC(=O)N(C)C1CCCCCC1)C(C)(C)C ZINC000171949508 335086328 /nfs/dbraw/zinc/08/63/28/335086328.db2.gz GLDKXBZZAFGEKO-GFCCVEGCSA-N 0 0 254.418 3.785 10 0 CHAERN C[C@@H]1C[C@@H](CNc2cccc(C(F)(F)F)n2)C[C@H](C)O1 ZINC000343045756 263577326 /nfs/dbraw/zinc/57/73/26/263577326.db2.gz OAEYHPVIRNCKNF-JGPRNRPPSA-N 0 0 288.313 3.716 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2cc(Cl)nc(C)n2)C1 ZINC000230922199 264565256 /nfs/dbraw/zinc/56/52/56/264565256.db2.gz RORQTKGFXMTZLQ-VHSXEESVSA-N 0 0 271.817 3.525 10 0 CHAERN Cc1ncc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)s1 ZINC000179282375 265744089 /nfs/dbraw/zinc/74/40/89/265744089.db2.gz SKDKFRLRGVJUIS-HZMBPMFUSA-N 0 0 286.400 3.820 10 0 CHAERN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116046627 267120930 /nfs/dbraw/zinc/12/09/30/267120930.db2.gz YQDWPEXDDAGJTM-ZBFHGGJFSA-N 0 0 299.370 3.719 10 0 CHAERN Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116046620 267121161 /nfs/dbraw/zinc/12/11/61/267121161.db2.gz YQDWPEXDDAGJTM-GOEBONIOSA-N 0 0 299.370 3.719 10 0 CHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116406249 267151869 /nfs/dbraw/zinc/15/18/69/267151869.db2.gz BTDWNBJQYSDWBC-HNNXBMFYSA-N 0 0 298.342 3.851 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2ccco2)o1 ZINC000116420870 267152231 /nfs/dbraw/zinc/15/22/31/267152231.db2.gz IFTWFNLTYAXCML-STQMWFEESA-N 0 0 288.347 3.789 10 0 CHAERN CCC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116425383 267152252 /nfs/dbraw/zinc/15/22/52/267152252.db2.gz HWGMAGXHRCBYEA-OLZOCXBDSA-N 0 0 264.369 3.705 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2CCCCC[C@@H]21 ZINC000370241668 267302563 /nfs/dbraw/zinc/30/25/63/267302563.db2.gz GEDKCZRVIASLFS-BBRMVZONSA-N 0 0 268.360 3.573 10 0 CHAERN CC1(C)C[C@@H](NC(=O)C2CCCCC2)c2ccccc2O1 ZINC000121848594 267751088 /nfs/dbraw/zinc/75/10/88/267751088.db2.gz LQPKYKHJTAIVGE-OAHLLOKOSA-N 0 0 287.403 3.985 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000171961571 335086836 /nfs/dbraw/zinc/08/68/36/335086836.db2.gz ITHDYAVSIMAIBG-GARJFASQSA-N 0 0 265.319 3.516 10 0 CHAERN COc1ccc([C@H](C)C(=O)N(CCC(C)C)C2CC2)cc1 ZINC000170959148 327680121 /nfs/dbraw/zinc/68/01/21/327680121.db2.gz BVALYGZZTOXJDA-AWEZNQCLSA-N 0 0 289.419 3.836 10 0 CHAERN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)c2cccnc2)cc1 ZINC000173653117 327772584 /nfs/dbraw/zinc/77/25/84/327772584.db2.gz SNPUFBODEQBABT-UONOGXRCSA-N 0 0 282.387 3.625 10 0 CHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)c1cccs1 ZINC000184018441 327823405 /nfs/dbraw/zinc/82/34/05/327823405.db2.gz RTRREGLQNWNWFN-NWDGAFQWSA-N 0 0 281.421 3.711 10 0 CHAERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000185421638 327840029 /nfs/dbraw/zinc/84/00/29/327840029.db2.gz PYVLNJKHQJTXJW-CABCVRRESA-N 0 0 299.418 3.732 10 0 CHAERN CC(C)CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2 ZINC000040858630 328021511 /nfs/dbraw/zinc/02/15/11/328021511.db2.gz XINQFHCORGTNRQ-CYBMUJFWSA-N 0 0 274.408 3.599 10 0 CHAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)c1cccs1 ZINC000047978525 328032309 /nfs/dbraw/zinc/03/23/09/328032309.db2.gz LHPHAZJPFNVSTH-WOPDTQHZSA-N 0 0 266.410 3.687 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCSCC2)cc1 ZINC000049788273 328379418 /nfs/dbraw/zinc/37/94/18/328379418.db2.gz RGKHLKJWLNRFAX-CYBMUJFWSA-N 0 0 292.448 3.629 10 0 CHAERN C[C@@H](Nc1ccnc2cc(Br)cnc21)C1CC1 ZINC000127213161 328480432 /nfs/dbraw/zinc/48/04/32/328480432.db2.gz GHFUXAWVASXGOO-MRVPVSSYSA-N 0 0 292.180 3.603 10 0 CHAERN Clc1cnc(N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000070530185 328661849 /nfs/dbraw/zinc/66/18/49/328661849.db2.gz UPIIFVSPKVZSIP-LLVKDONJSA-N 0 0 281.142 3.934 10 0 CHAERN CCC[C@H](CC)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094738 326824314 /nfs/dbraw/zinc/82/43/14/326824314.db2.gz IZSCWOKVIYSPTL-YNEHKIRRSA-N 0 0 281.346 3.763 10 0 CHAERN Cc1nnc(N[C@H](C)c2ccc(Cl)s2)s1 ZINC000077189194 326922714 /nfs/dbraw/zinc/92/27/14/326922714.db2.gz LDTSEUBWVOZLIL-RXMQYKEDSA-N 0 0 259.787 3.735 10 0 CHAERN O=C(/C=C\C1CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255544007 326992169 /nfs/dbraw/zinc/99/21/69/326992169.db2.gz JVRHKVYNZNHQRR-YDZSZYSISA-N 0 0 287.407 3.600 10 0 CHAERN CCCCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000042238898 327235682 /nfs/dbraw/zinc/23/56/82/327235682.db2.gz AETHWOFUJYHYBV-JTQLQIEISA-N 0 0 284.197 3.817 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCCCCC1 ZINC000054065790 328685113 /nfs/dbraw/zinc/68/51/13/328685113.db2.gz AKFJIBUVZISALO-AWEZNQCLSA-N 0 0 260.381 3.642 10 0 CHAERN C[C@H](NC(=O)c1cccc(O)c1)c1cccc(Cl)c1 ZINC000042258707 328763622 /nfs/dbraw/zinc/76/36/22/328763622.db2.gz SGQMAPAHWHBIEL-JTQLQIEISA-N 0 0 275.735 3.537 10 0 CHAERN O=C(Cc1ccsc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042850097 328772519 /nfs/dbraw/zinc/77/25/19/328772519.db2.gz MVGOETPDAFGKRY-QWRGUYRKSA-N 0 0 291.338 3.528 10 0 CHAERN CCN(C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000042999970 328772771 /nfs/dbraw/zinc/77/27/71/328772771.db2.gz FZYUQEGKFVWFDE-QLFDAEIZSA-N 0 0 290.451 3.785 10 0 CHAERN Cc1c(F)cccc1NCc1cc2ccccc2[nH]c1=O ZINC000043319876 328786592 /nfs/dbraw/zinc/78/65/92/328786592.db2.gz OAGDBOYTQKPEST-UHFFFAOYSA-N 0 0 282.318 3.588 10 0 CHAERN CC(C)c1nc(CNc2ncnc3sccc32)cs1 ZINC000301152855 328827077 /nfs/dbraw/zinc/82/70/77/328827077.db2.gz BHBWTHMANGRFMS-UHFFFAOYSA-N 0 0 290.417 3.883 10 0 CHAERN C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000261664992 328844592 /nfs/dbraw/zinc/84/45/92/328844592.db2.gz FNBCKQMZFSZGGR-NUYPLMSZSA-N 0 0 295.810 3.504 10 0 CHAERN O=C(c1ccccc1F)N1CC=C(c2cccs2)CC1 ZINC000117721210 328942909 /nfs/dbraw/zinc/94/29/09/328942909.db2.gz CBDVMHVPJOMPPX-UHFFFAOYSA-N 0 0 287.359 3.817 10 0 CHAERN O=C(CC1CCCCC1)Nc1cccc(-c2ncon2)c1 ZINC000170632776 329067450 /nfs/dbraw/zinc/06/74/50/329067450.db2.gz QNCBEHICMBDINL-UHFFFAOYSA-N 0 0 285.347 3.646 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171453332 329076234 /nfs/dbraw/zinc/07/62/34/329076234.db2.gz XAKDKVDHMFEBQJ-PBHICJAKSA-N 0 0 297.402 3.515 10 0 CHAERN Cc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1Cl ZINC000171722149 329079253 /nfs/dbraw/zinc/07/92/53/329079253.db2.gz CGRJLGMBLQNDHW-JTQLQIEISA-N 0 0 284.812 3.618 10 0 CHAERN C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171808020 329080275 /nfs/dbraw/zinc/08/02/75/329080275.db2.gz GYKCKHUQEJNODA-WMLDXEAASA-N 0 0 295.382 3.505 10 0 CHAERN O=C(Cc1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000172092290 329080920 /nfs/dbraw/zinc/08/09/20/329080920.db2.gz IAEWELIAGKLPRF-UHFFFAOYSA-N 0 0 283.396 3.607 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000172088305 329081022 /nfs/dbraw/zinc/08/10/22/329081022.db2.gz CEWCBYYEHMIWDB-DXEWXGHRSA-N 0 0 287.403 3.555 10 0 CHAERN C[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1cccs1 ZINC000172346274 329083962 /nfs/dbraw/zinc/08/39/62/329083962.db2.gz QAXMEEYBVXCBHE-SNVBAGLBSA-N 0 0 299.355 3.540 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 ZINC000173413905 329146753 /nfs/dbraw/zinc/14/67/53/329146753.db2.gz FPVILQPHEUKGAR-KBPBESRZSA-N 0 0 290.432 3.514 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000173416822 329146941 /nfs/dbraw/zinc/14/69/41/329146941.db2.gz KCSPBCYRNNCPIM-LLVKDONJSA-N 0 0 292.429 3.533 10 0 CHAERN CCCCC[C@@H](C)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173631418 329150358 /nfs/dbraw/zinc/15/03/58/329150358.db2.gz LLEOKWNEJSZVRG-CQSZACIVSA-N 0 0 291.439 3.722 10 0 CHAERN CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173914154 329151014 /nfs/dbraw/zinc/15/10/14/329151014.db2.gz DXPLNSKSYDPWDY-CABCVRRESA-N 0 0 299.418 3.876 10 0 CHAERN CCC[C@@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174075907 329154110 /nfs/dbraw/zinc/15/41/10/329154110.db2.gz NUOPVSPLWCVMBG-CYBMUJFWSA-N 0 0 292.398 3.665 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cn2)o1 ZINC000175814678 329172174 /nfs/dbraw/zinc/17/21/74/329172174.db2.gz WABQNIYYDSXADL-VIFPVBQESA-N 0 0 279.727 3.519 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1CCC[C@H]1c1ccco1 ZINC000176329366 329174686 /nfs/dbraw/zinc/17/46/86/329174686.db2.gz HHXGQEBZEYMXTE-HNNXBMFYSA-N 0 0 280.327 3.738 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1CCC[C@@H]1c1ccco1 ZINC000176329349 329174831 /nfs/dbraw/zinc/17/48/31/329174831.db2.gz HHXGQEBZEYMXTE-OAHLLOKOSA-N 0 0 280.327 3.738 10 0 CHAERN Cc1cc(C)c(C(=O)N2CC=C(c3cccs3)CC2)o1 ZINC000176767901 329178726 /nfs/dbraw/zinc/17/87/26/329178726.db2.gz HGEJJZWBEQALSB-UHFFFAOYSA-N 0 0 287.384 3.887 10 0 CHAERN CCCC(CCC)[S@](=O)Cc1nccn1C(C)C ZINC000177109229 329180975 /nfs/dbraw/zinc/18/09/75/329180975.db2.gz OGBPPPYUJCSCOU-GOSISDBHSA-N 0 0 270.442 3.682 10 0 CHAERN Cc1ccncc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180064385 329215113 /nfs/dbraw/zinc/21/51/13/329215113.db2.gz CMQMKQGZSLRMFD-AAEUAGOBSA-N 0 0 260.381 3.791 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000180164897 329218224 /nfs/dbraw/zinc/21/82/24/329218224.db2.gz BUPUJXXGBGYLSL-RISCZKNCSA-N 0 0 291.439 3.921 10 0 CHAERN Cc1occc1C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182186703 329240490 /nfs/dbraw/zinc/24/04/90/329240490.db2.gz NJUGVBSVYJVCMG-ZBEGNZNMSA-N 0 0 269.344 3.560 10 0 CHAERN CC[C@H](Nc1cccc(-c2cnco2)c1)c1cnn(C)c1 ZINC000182831577 329242466 /nfs/dbraw/zinc/24/24/66/329242466.db2.gz NZQUTZLVXRDLSK-HNNXBMFYSA-N 0 0 282.347 3.638 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863098 329245648 /nfs/dbraw/zinc/24/56/48/329245648.db2.gz MWUCBZPHUZNMCO-QWHCGFSZSA-N 0 0 294.358 3.543 10 0 CHAERN CCOC(=O)Nc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1 ZINC000321065290 329249086 /nfs/dbraw/zinc/24/90/86/329249086.db2.gz JQMDNLXMLZSUQM-WDMOLILDSA-N 0 0 262.353 3.711 10 0 CHAERN CCOC(=O)Nc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1 ZINC000321065288 329249201 /nfs/dbraw/zinc/24/92/01/329249201.db2.gz JQMDNLXMLZSUQM-JTNHKYCSSA-N 0 0 262.353 3.711 10 0 CHAERN CCc1cnc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000184066109 329255504 /nfs/dbraw/zinc/25/55/04/329255504.db2.gz BKLRIDHFIAAPQQ-VXGBXAGGSA-N 0 0 294.464 3.784 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1C)[C@H](C)C2 ZINC000184188569 329257098 /nfs/dbraw/zinc/25/70/98/329257098.db2.gz DDUGZSMMMZEAKS-SJKOYZFVSA-N 0 0 295.386 3.753 10 0 CHAERN Cc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000184195265 329257198 /nfs/dbraw/zinc/25/71/98/329257198.db2.gz CNLLXVOLSNRACC-UHFFFAOYSA-N 0 0 293.370 3.711 10 0 CHAERN C[C@H]1C[C@H](C(=O)Nc2ccncc2F)CC(C)(C)C1 ZINC000184324800 329259060 /nfs/dbraw/zinc/25/90/60/329259060.db2.gz AYDOBOXZCXCCOE-QWRGUYRKSA-N 0 0 264.344 3.622 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H](C)[C@H]1C[C@@H]1C ZINC000321129352 329263947 /nfs/dbraw/zinc/26/39/47/329263947.db2.gz TUIJPRRKHNYXBE-NDMJEZRESA-N 0 0 257.337 3.501 10 0 CHAERN CCS[C@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C1 ZINC000227079727 329268266 /nfs/dbraw/zinc/26/82/66/329268266.db2.gz PZMBRUXQENSSAU-ZJUUUORDSA-N 0 0 274.792 3.960 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCCC3(CC3)C2)CC(C)(C)C1 ZINC000185375446 329271362 /nfs/dbraw/zinc/27/13/62/329271362.db2.gz CMLSUSYENQDQCE-KGLIPLIRSA-N 0 0 263.425 3.851 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(Cl)ccc2F)o1 ZINC000227555754 329327293 /nfs/dbraw/zinc/32/72/93/329327293.db2.gz SWUKMRLMQPDAQO-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN CC(C)[C@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000185942567 329333207 /nfs/dbraw/zinc/33/32/07/329333207.db2.gz SEROAOFFZZEICE-HZPDHXFCSA-N 0 0 287.378 3.734 10 0 CHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccco1 ZINC000186049916 329336714 /nfs/dbraw/zinc/33/67/14/329336714.db2.gz QVQQYDZWAFPYPM-ZDUSSCGKSA-N 0 0 279.343 3.587 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(F)cc1 ZINC000186529212 329344777 /nfs/dbraw/zinc/34/47/77/329344777.db2.gz ZLFHHDJVNIBOOW-NSHDSACASA-N 0 0 299.349 3.976 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186546591 329345045 /nfs/dbraw/zinc/34/50/45/329345045.db2.gz MGPATLGMZKHXCR-DGCLKSJQSA-N 0 0 273.380 3.655 10 0 CHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3coc(C)c3)C2)cc1 ZINC000187148259 329353649 /nfs/dbraw/zinc/35/36/49/329353649.db2.gz KSTVJTUKLTZHQC-SWLSCSKDSA-N 0 0 299.370 3.615 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000187762010 329360446 /nfs/dbraw/zinc/36/04/46/329360446.db2.gz SNQOMVLDPOKBNG-OAHLLOKOSA-N 0 0 285.391 3.671 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000189383408 329380637 /nfs/dbraw/zinc/38/06/37/329380637.db2.gz UEYIVBJVPGGQRE-TZMCWYRMSA-N 0 0 275.392 3.841 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000189383453 329380643 /nfs/dbraw/zinc/38/06/43/329380643.db2.gz UEYIVBJVPGGQRE-OCCSQVGLSA-N 0 0 275.392 3.841 10 0 CHAERN CC[C@]1(C)C[C@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831296 329389479 /nfs/dbraw/zinc/38/94/79/329389479.db2.gz LRLJRZAHELGUSO-MAUKXSAKSA-N 0 0 299.414 3.518 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000190222314 329393377 /nfs/dbraw/zinc/39/33/77/329393377.db2.gz QKUFXZNPKWKCTL-FMKPAKJESA-N 0 0 287.403 3.732 10 0 CHAERN O=C(CCC1CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113898477 329543156 /nfs/dbraw/zinc/54/31/56/329543156.db2.gz GOYNXWTWTDPANA-INIZCTEOSA-N 0 0 289.423 3.824 10 0 CHAERN C[C@]1(C(=O)N2CCC[C@H]2c2ccco2)CC1(Cl)Cl ZINC000116042165 329544281 /nfs/dbraw/zinc/54/42/81/329544281.db2.gz HNOGVODZOYBQSI-JOYOIKCWSA-N 0 0 288.174 3.527 10 0 CHAERN C[C@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)C1CC1 ZINC000125512198 329583948 /nfs/dbraw/zinc/58/39/48/329583948.db2.gz IDTPVJBWWLNJLL-BFQNTYOBSA-N 0 0 257.377 3.787 10 0 CHAERN c1cc2ncnc(N[C@H]3CCc4ccccc43)c2s1 ZINC000048391455 329625275 /nfs/dbraw/zinc/62/52/75/329625275.db2.gz ZRRBLZMOLOYMER-LBPRGKRZSA-N 0 0 267.357 3.791 10 0 CHAERN Cc1cc(C)cc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000130775045 329627895 /nfs/dbraw/zinc/62/78/95/329627895.db2.gz AKMLLRFNLPKRSA-GJZGRUSLSA-N 0 0 298.434 3.643 10 0 CHAERN Cc1cccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)c1C ZINC000130851529 329628988 /nfs/dbraw/zinc/62/89/88/329628988.db2.gz BCWOVARPKKVWBS-GJZGRUSLSA-N 0 0 298.434 3.643 10 0 CHAERN CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000133369237 329652549 /nfs/dbraw/zinc/65/25/49/329652549.db2.gz NWOPSVKBYULKJU-IINYFYTJSA-N 0 0 297.782 3.635 10 0 CHAERN CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000133369632 329652567 /nfs/dbraw/zinc/65/25/67/329652567.db2.gz NWOPSVKBYULKJU-QMTHXVAHSA-N 0 0 297.782 3.635 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)O1 ZINC000134163108 329657535 /nfs/dbraw/zinc/65/75/35/329657535.db2.gz WWMGMTLGALRTEV-YJBOKZPZSA-N 0 0 295.382 3.787 10 0 CHAERN c1ncc(-c2cccc(N[C@H]3[C@H]4CCO[C@H]4C34CCC4)c2)o1 ZINC000194158522 329685577 /nfs/dbraw/zinc/68/55/77/329685577.db2.gz CGOPKTLFSBRCGT-HYVNUMGLSA-N 0 0 296.370 3.711 10 0 CHAERN Cn1c(CNc2ccc(Cl)cc2Cl)nnc1C1CC1 ZINC000194982054 329689937 /nfs/dbraw/zinc/68/99/37/329689937.db2.gz UHIADTMKPCUXFS-UHFFFAOYSA-N 0 0 297.189 3.611 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccco2)o1 ZINC000069103510 329853603 /nfs/dbraw/zinc/85/36/03/329853603.db2.gz QIDSTTFGCJAIBR-RYUDHWBXSA-N 0 0 276.336 3.645 10 0 CHAERN Cc1c(F)cccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000073393354 329860743 /nfs/dbraw/zinc/86/07/43/329860743.db2.gz PALUTQLVEZZTTM-MGPLVRAMSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1nc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)sc1C ZINC000075335953 329866566 /nfs/dbraw/zinc/86/65/66/329866566.db2.gz MMFDAFURANZPEV-ZIAGYGMSSA-N 0 0 292.448 3.593 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCO[C@H]2C)c2ccccc21 ZINC000249556286 329907805 /nfs/dbraw/zinc/90/78/05/329907805.db2.gz MHGUKLFYFZIZJI-CXUGXGMPSA-N 0 0 287.403 3.556 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCC(C)C)C2)cc1 ZINC000078187299 329947239 /nfs/dbraw/zinc/94/72/39/329947239.db2.gz JOCNRXZDWDQZKO-ZBFHGGJFSA-N 0 0 289.419 3.836 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)o3)C2)cc1 ZINC000078188388 329947476 /nfs/dbraw/zinc/94/74/76/329947476.db2.gz AJZGOSSFXMRPNR-IUODEOHRSA-N 0 0 299.370 3.615 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1cccs1 ZINC000255381560 329965317 /nfs/dbraw/zinc/96/53/17/329965317.db2.gz RZHYMZSBBUGKLU-UTUOFQBUSA-N 0 0 275.373 3.712 10 0 CHAERN CSc1ccc([C@H](C)[NH2+]CCC(C)(C)C(=O)[O-])cc1F ZINC000263035498 330039879 /nfs/dbraw/zinc/03/98/79/330039879.db2.gz HXDUZWWTDXXRPI-JTQLQIEISA-N 0 0 299.411 3.699 10 0 CHAERN O=C(CC1CCC1)N1CC=C(c2cccs2)CC1 ZINC000080360735 330124375 /nfs/dbraw/zinc/12/43/75/330124375.db2.gz KFZPFOPQPOZIBA-UHFFFAOYSA-N 0 0 261.390 3.554 10 0 CHAERN C[C@H](NC(=O)NCCC1CCCC1)c1cccs1 ZINC000045566373 330344408 /nfs/dbraw/zinc/34/44/08/330344408.db2.gz DCIVXRLNNHNIIQ-NSHDSACASA-N 0 0 266.410 3.689 10 0 CHAERN CCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC000046598107 330354621 /nfs/dbraw/zinc/35/46/21/330354621.db2.gz FDTXPOFAVIMLMK-QMMMGPOBSA-N 0 0 272.801 3.656 10 0 CHAERN Cc1nsc(N[C@@H](C)c2cccc(Br)c2)n1 ZINC000083648126 330358731 /nfs/dbraw/zinc/35/87/31/330358731.db2.gz JREPWSKGLSSRMS-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN CCC(=O)[C@H]1CCCN(c2cccc(C(C)C)c2)C1=O ZINC000536949912 330382109 /nfs/dbraw/zinc/38/21/09/330382109.db2.gz DOXUMFCAZJQEPE-OAHLLOKOSA-N 0 0 273.376 3.532 10 0 CHAERN CCS(=O)(CC)=Nc1ccc(Br)c(F)c1 ZINC000536950322 330382263 /nfs/dbraw/zinc/38/22/63/330382263.db2.gz GMVGVVDSVNJEQO-UHFFFAOYSA-N 0 0 294.189 3.728 10 0 CHAERN CC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@H]1C[C@H]1CO2 ZINC000536954847 330382980 /nfs/dbraw/zinc/38/29/80/330382980.db2.gz MSUAWOFPOITNML-YRFCHQJDSA-N 0 0 295.423 3.639 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)c(Sc2ccccc2)n1 ZINC000120233577 330386485 /nfs/dbraw/zinc/38/64/85/330386485.db2.gz PLWMUWDNDQFTQG-ABAIWWIYSA-N 0 0 298.411 3.679 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000121002218 330394586 /nfs/dbraw/zinc/39/45/86/330394586.db2.gz MZRHENPEMBZIRP-WFASDCNBSA-N 0 0 287.407 3.595 10 0 CHAERN CCn1c(C)nnc1CSC[C@@H]1CCC[C@@H](C)C1 ZINC000091037413 330398092 /nfs/dbraw/zinc/39/80/92/330398092.db2.gz KSASGVPSQGFYHA-DGCLKSJQSA-N 0 0 267.442 3.666 10 0 CHAERN CC(C)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000121828183 330407851 /nfs/dbraw/zinc/40/78/51/330407851.db2.gz LNQJLUBVRXNWBC-CYZMBNFOSA-N 0 0 281.346 3.619 10 0 CHAERN CC[C@@H](NC(=O)c1cccc(Br)c1C)C(C)C ZINC000088445548 330474894 /nfs/dbraw/zinc/47/48/94/330474894.db2.gz LPYAOUFJRNPMEA-CYBMUJFWSA-N 0 0 298.224 3.922 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCCc2c(N)cccc21 ZINC000163645539 331065042 /nfs/dbraw/zinc/06/50/42/331065042.db2.gz MGVZGTOLRHDOOA-ZDUSSCGKSA-N 0 0 274.408 3.764 10 0 CHAERN C[C@@H](Nc1cc2c(cc1Cl)OCCO2)c1cncs1 ZINC000165353681 331306187 /nfs/dbraw/zinc/30/61/87/331306187.db2.gz QJNLILAALDNLTC-MRVPVSSYSA-N 0 0 296.779 3.741 10 0 CHAERN CC(C)c1nccnc1N[C@@H](C)c1cccc(Cl)c1 ZINC000472030407 331526179 /nfs/dbraw/zinc/52/61/79/331526179.db2.gz RYSLQJFLJNFXAE-NSHDSACASA-N 0 0 275.783 3.848 10 0 CHAERN O=C(NCCC1CCCC1)N1CCC[C@@H]1c1ccco1 ZINC000172112801 335095250 /nfs/dbraw/zinc/09/52/50/335095250.db2.gz GQSHBXNGVSXOOS-CQSZACIVSA-N 0 0 276.380 3.706 10 0 CHAERN CCCc1cc(C(=O)N[C@H](C)C(C)C)sc1C ZINC000252014446 334373325 /nfs/dbraw/zinc/37/33/25/334373325.db2.gz UVVMWOJGQYKKBB-SNVBAGLBSA-N 0 0 253.411 3.783 10 0 CHAERN CC(C)[C@H](O)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000153818788 334680351 /nfs/dbraw/zinc/68/03/51/334680351.db2.gz YDAKGCWDHFYVDY-QGZVFWFLSA-N 0 0 299.370 3.824 10 0 CHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000172969246 332955853 /nfs/dbraw/zinc/95/58/53/332955853.db2.gz JEHCENJIOUAOSZ-HLLBOEOZSA-N 0 0 289.419 3.534 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@@H](C)CCc1ccccc1F ZINC000173234779 332967288 /nfs/dbraw/zinc/96/72/88/332967288.db2.gz MDTOYNWKYZIXHD-STQMWFEESA-N 0 0 265.372 3.555 10 0 CHAERN CC(C)(C)[C@H](O)CSCc1ccccc1Cl ZINC000304233472 332968346 /nfs/dbraw/zinc/96/83/46/332968346.db2.gz LMUKMJWEPKVLSZ-GFCCVEGCSA-N 0 0 258.814 3.980 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CC=CCC2)o1 ZINC000175087768 333014393 /nfs/dbraw/zinc/01/43/93/333014393.db2.gz NUIBXJAUGDEDJJ-CABCVRRESA-N 0 0 288.391 3.933 10 0 CHAERN CC[C@@H](c1ccccc1)[S@@](=O)Cc1nccn1C(C)C ZINC000176844381 333048755 /nfs/dbraw/zinc/04/87/55/333048755.db2.gz YEPPKHHTOORFPM-YWZLYKJASA-N 0 0 290.432 3.864 10 0 CHAERN CC(C)n1ccnc1CN1c2ccccc2N(C)CC[C@@H]1C ZINC000176900610 333050200 /nfs/dbraw/zinc/05/02/00/333050200.db2.gz JABHLWGFGFDXDC-HNNXBMFYSA-N 0 0 298.434 3.699 10 0 CHAERN CCC(CC)CC(=O)N[C@@H](C)COCc1ccccc1 ZINC000177014472 333052281 /nfs/dbraw/zinc/05/22/81/333052281.db2.gz IQWXCUQDLYTGOE-AWEZNQCLSA-N 0 0 277.408 3.534 10 0 CHAERN CCC(=O)Nc1ccc(C)c(N[C@H]2CCC2(C)C)c1 ZINC000311871910 333073765 /nfs/dbraw/zinc/07/37/65/333073765.db2.gz TVYUWNHWMDMKEU-AWEZNQCLSA-N 0 0 260.381 3.944 10 0 CHAERN CCCC(CCC)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178703250 333077016 /nfs/dbraw/zinc/07/70/16/333077016.db2.gz HKMPPKYFPHBSNH-OAHLLOKOSA-N 0 0 275.392 3.843 10 0 CHAERN CC(=O)c1c(C)oc2ncnc(N[C@H](C)c3ccc(C)o3)c21 ZINC000178853514 333078083 /nfs/dbraw/zinc/07/80/83/333078083.db2.gz ZLRQUOWQAIARJZ-SECBINFHSA-N 0 0 299.330 3.808 10 0 CHAERN CCC(CC)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233355 333087298 /nfs/dbraw/zinc/08/72/98/333087298.db2.gz QMRFBZKUIUYPJA-NSHDSACASA-N 0 0 251.345 3.748 10 0 CHAERN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233629 333087367 /nfs/dbraw/zinc/08/73/67/333087367.db2.gz UDDUSXNBKZXVGI-NSHDSACASA-N 0 0 277.364 3.995 10 0 CHAERN C[C@H]1C[C@@H](C(=O)NCCc2cccc(O)c2)CC(C)(C)C1 ZINC000183511246 333121006 /nfs/dbraw/zinc/12/10/06/333121006.db2.gz PLSRBLVFVCYCOE-DZGCQCFKSA-N 0 0 289.419 3.513 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184208746 333125510 /nfs/dbraw/zinc/12/55/10/333125510.db2.gz WKFOEZFWUCOSQW-CABCVRRESA-N 0 0 297.483 3.754 10 0 CHAERN CC(C)[C@H](C)NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000185538560 333143073 /nfs/dbraw/zinc/14/30/73/333143073.db2.gz JFJQFKDPDDEGJR-ZDUSSCGKSA-N 0 0 277.383 3.699 10 0 CHAERN COc1cc(NC(=O)N[C@@H](C)C(C)C)ccc1OC(C)C ZINC000186238551 333157221 /nfs/dbraw/zinc/15/72/21/333157221.db2.gz DAOTZTSFUSUAJA-LBPRGKRZSA-N 0 0 294.395 3.648 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000188983506 333177161 /nfs/dbraw/zinc/17/71/61/333177161.db2.gz SHUHVUOGBNYQOP-IMJJTQAJSA-N 0 0 289.419 3.705 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N2CCCC3(CCCCC3)CC2)O1 ZINC000190674725 333209397 /nfs/dbraw/zinc/20/93/97/333209397.db2.gz RUZRJYZJBKQPNP-GJZGRUSLSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000190734464 333210335 /nfs/dbraw/zinc/21/03/35/333210335.db2.gz NHBJZDTYRQBTJW-USXIJHARSA-N 0 0 293.451 3.763 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000191125008 333215468 /nfs/dbraw/zinc/21/54/68/333215468.db2.gz AJZMKNGBOOGKTJ-GOEBONIOSA-N 0 0 289.419 3.801 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000191125038 333215797 /nfs/dbraw/zinc/21/57/97/333215797.db2.gz AJZMKNGBOOGKTJ-HOCLYGCPSA-N 0 0 289.419 3.801 10 0 CHAERN CCCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000191572228 333221614 /nfs/dbraw/zinc/22/16/14/333221614.db2.gz MCUBSSBQSWPPEE-IUODEOHRSA-N 0 0 295.810 3.898 10 0 CHAERN CCN(CC)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000193162140 333243751 /nfs/dbraw/zinc/24/37/51/333243751.db2.gz RIYVRWCKYIIXPJ-ZDUSSCGKSA-N 0 0 262.397 3.922 10 0 CHAERN CC(C)c1c(N[C@@H]2CCOC[C@@H]2C)cnn1-c1ccccc1 ZINC000195130514 333246494 /nfs/dbraw/zinc/24/64/94/333246494.db2.gz QSNZDYQHDAYRKR-GOEBONIOSA-N 0 0 299.418 3.833 10 0 CHAERN C[C@H](NC(=O)NC1CCSCC1)c1cccc(Cl)c1 ZINC000195475661 333253859 /nfs/dbraw/zinc/25/38/59/333253859.db2.gz AQUDEROPRYCZER-JTQLQIEISA-N 0 0 298.839 3.596 10 0 CHAERN Cc1ccccc1C(C)(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194892396 333278758 /nfs/dbraw/zinc/27/87/58/333278758.db2.gz IKTSPGGRIYHPMT-MRXNPFEDSA-N 0 0 295.382 3.523 10 0 CHAERN Brc1cncc(N2CC[C@@H]3CCCC[C@H]32)c1 ZINC000228852190 333297766 /nfs/dbraw/zinc/29/77/66/333297766.db2.gz NLOKADUVXFEROM-GXFFZTMASA-N 0 0 281.197 3.613 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C)ncc1Br ZINC000230058724 333312674 /nfs/dbraw/zinc/31/26/74/333312674.db2.gz OJKBMRYJODPUBR-WPRPVWTQSA-N 0 0 297.196 3.527 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000230923297 333322668 /nfs/dbraw/zinc/32/26/68/333322668.db2.gz KEIRVMAJPUDCBE-CHWSQXEVSA-N 0 0 279.453 3.995 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000231692657 333328488 /nfs/dbraw/zinc/32/84/88/333328488.db2.gz MXJPTCFDQCRWNL-PRHODGIISA-N 0 0 289.272 3.763 10 0 CHAERN COc1ccccc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000075459111 333422873 /nfs/dbraw/zinc/42/28/73/333422873.db2.gz KGWADEZUDDLMCQ-UHFFFAOYSA-N 0 0 287.334 3.751 10 0 CHAERN CNC(=O)c1cccc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1C ZINC000037107511 333483052 /nfs/dbraw/zinc/48/30/52/333483052.db2.gz OPLCZFJCRLPZOB-GXTWGEPZSA-N 0 0 288.435 3.981 10 0 CHAERN c1cnn(-c2cccc(N[C@H]3CCc4ccccc43)c2)c1 ZINC000037127529 333490567 /nfs/dbraw/zinc/49/05/67/333490567.db2.gz BNGYZPYORSQMHF-SFHVURJKSA-N 0 0 275.355 3.972 10 0 CHAERN COC[C@H](Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000125983817 333586454 /nfs/dbraw/zinc/58/64/54/333586454.db2.gz FIJLOORGTZFLGD-LBPRGKRZSA-N 0 0 259.271 3.542 10 0 CHAERN CC(C)[C@@H](C)NC(=O)CCC(C)(C)c1ccccc1 ZINC000128335437 333660336 /nfs/dbraw/zinc/66/03/36/333660336.db2.gz SJUVWRVMZRBJNN-CQSZACIVSA-N 0 0 261.409 3.905 10 0 CHAERN COc1ccc([C@@H](C)C(=O)Nc2cccc(F)c2C)cc1 ZINC000073392718 333971931 /nfs/dbraw/zinc/97/19/31/333971931.db2.gz UJLPYIGVEMPHNJ-LLVKDONJSA-N 0 0 287.334 3.885 10 0 CHAERN C[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000132741474 334004468 /nfs/dbraw/zinc/00/44/68/334004468.db2.gz XVCGVINMIFCTFO-SNVBAGLBSA-N 0 0 294.345 3.515 10 0 CHAERN CCC1CCC(NC(=O)CCc2cccs2)CC1 ZINC000074385928 334005158 /nfs/dbraw/zinc/00/51/58/334005158.db2.gz CSCHDVDICBTNOL-UHFFFAOYSA-N 0 0 265.422 3.766 10 0 CHAERN CCN(Cc1ccccc1Cl)C(=O)N[C@H](C)C(C)C ZINC000075812137 334051844 /nfs/dbraw/zinc/05/18/44/334051844.db2.gz SSCVDTBEIOKSJM-GFCCVEGCSA-N 0 0 282.815 3.916 10 0 CHAERN CC1(C)Cc2cccc(CN[C@@H]3COc4ccccc43)c2O1 ZINC000134269829 334086233 /nfs/dbraw/zinc/08/62/33/334086233.db2.gz GNIGTMGRVGISQD-MRXNPFEDSA-N 0 0 295.382 3.623 10 0 CHAERN CC1(C)CCCN1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000077512877 334107121 /nfs/dbraw/zinc/10/71/21/334107121.db2.gz JBBYPLOQPPVCAC-WDEREUQCSA-N 0 0 292.345 3.692 10 0 CHAERN Cc1cc(F)cc(C(=O)Nc2ccc3c(c2)CCCN3)c1 ZINC000135227899 334120392 /nfs/dbraw/zinc/12/03/92/334120392.db2.gz VWGOIFOUVUJJMR-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN O=C(CC1CCCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000078491044 334134639 /nfs/dbraw/zinc/13/46/39/334134639.db2.gz HFSZBBKGTHNOIW-NEPJUHHUSA-N 0 0 277.330 3.804 10 0 CHAERN Cc1ccc(C)c(N[C@@H](C)c2nc(C(C)C)no2)c1 ZINC000078900312 334142546 /nfs/dbraw/zinc/14/25/46/334142546.db2.gz WTBYXAWJJOIGJV-LBPRGKRZSA-N 0 0 259.353 3.983 10 0 CHAERN CC[C@H]1CC[C@H](Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000080427820 334171281 /nfs/dbraw/zinc/17/12/81/334171281.db2.gz RJWSTCFXOYTILH-LRDDRELGSA-N 0 0 272.392 3.569 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000080431724 334171484 /nfs/dbraw/zinc/17/14/84/334171484.db2.gz CYMATNZXYNCJKL-ZFWWWQNUSA-N 0 0 272.392 3.804 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(C)c(NC(C)=O)c2)C1 ZINC000080454862 334171616 /nfs/dbraw/zinc/17/16/16/334171616.db2.gz HRLPEOYNKQRYKD-ZIAGYGMSSA-N 0 0 260.381 3.944 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)NC(=O)CS3)C1 ZINC000080453329 334171627 /nfs/dbraw/zinc/17/16/27/334171627.db2.gz GAAUZSYRBJBQKU-GHMZBOCLSA-N 0 0 276.405 3.721 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(Cn3cccn3)cc2)C1 ZINC000080457557 334171758 /nfs/dbraw/zinc/17/17/58/334171758.db2.gz OZMSJFJARNJPNM-PBHICJAKSA-N 0 0 269.392 3.922 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1F ZINC000245889701 334223013 /nfs/dbraw/zinc/22/30/13/334223013.db2.gz ZEAJRQNULVNFOX-IPYPFGDCSA-N 0 0 293.382 3.659 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)C[C@H]2CCCCO2)c2ccccc21 ZINC000246374807 334254165 /nfs/dbraw/zinc/25/41/65/334254165.db2.gz SLWXDYXGEPONHQ-CKEIUWERSA-N 0 0 287.403 3.700 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000246613147 334265367 /nfs/dbraw/zinc/26/53/67/334265367.db2.gz CJWWIDJXHWBFKX-HPXOCHMKSA-N 0 0 284.186 3.622 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC=CCC1)[C@@H](C)C2 ZINC000248545755 334305666 /nfs/dbraw/zinc/30/56/66/334305666.db2.gz JFOXFMJZVGCRHL-JJRVBVJISA-N 0 0 269.388 3.701 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC(C)(C)C1 ZINC000248566527 334306368 /nfs/dbraw/zinc/30/63/68/334306368.db2.gz NLTYLCLAQQZQMR-NIFZNCRKSA-N 0 0 281.440 3.521 10 0 CHAERN CC[C@H](C)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248829130 334318976 /nfs/dbraw/zinc/31/89/76/334318976.db2.gz HSYOXCSXIOVJDF-AXFHLTTASA-N 0 0 265.319 3.660 10 0 CHAERN C[C@@H]1CCC[C@H](NC(=O)c2cccc3c2CCCN3)[C@H]1C ZINC000251889283 334371374 /nfs/dbraw/zinc/37/13/74/334371374.db2.gz RSEMZDDTDFGXBM-WWGRRREGSA-N 0 0 286.419 3.599 10 0 CHAERN CCCN(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000153198414 334569796 /nfs/dbraw/zinc/56/97/96/334569796.db2.gz VJGYDEJUDJKXCB-DOMZBBRYSA-N 0 0 260.381 3.676 10 0 CHAERN CCOc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1C ZINC000566964022 334671130 /nfs/dbraw/zinc/67/11/30/334671130.db2.gz JEDQDVGJCPAPQE-BMFZPTHFSA-N 0 0 275.392 3.619 10 0 CHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000153586454 334674386 /nfs/dbraw/zinc/67/43/86/334674386.db2.gz AIUONBJEEORXRJ-XHDPSFHLSA-N 0 0 274.408 3.591 10 0 CHAERN COC[C@@H](C)C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000154224558 334690802 /nfs/dbraw/zinc/69/08/02/334690802.db2.gz WYSLFOWXCQSMPU-RHSMWYFYSA-N 0 0 289.419 3.707 10 0 CHAERN CCc1onc(C)c1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000158840340 334814751 /nfs/dbraw/zinc/81/47/51/334814751.db2.gz ZCIZAHFJMWEYPZ-IAQYHMDHSA-N 0 0 298.386 3.914 10 0 CHAERN c1ccc2c(c1)CC[C@@H]2Nc1cccc2c1OCCO2 ZINC000180001213 335539703 /nfs/dbraw/zinc/53/97/03/335539703.db2.gz GGOMTBYBNIFHDP-AWEZNQCLSA-N 0 0 267.328 3.557 10 0 CHAERN Cc1cccc2sc(NCc3cccc4nccn43)nc21 ZINC000181549490 335769716 /nfs/dbraw/zinc/76/97/16/335769716.db2.gz VWTHZSFQIMFHEW-UHFFFAOYSA-N 0 0 294.383 3.865 10 0 CHAERN CO[C@@H](C)CCC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000181776589 335784844 /nfs/dbraw/zinc/78/48/44/335784844.db2.gz NVZKJNIUKORBMZ-SUMWQHHRSA-N 0 0 289.419 3.631 10 0 CHAERN Cn1c(COc2cc(Cl)ccc2Cl)nnc1C1CC1 ZINC000194644865 336035324 /nfs/dbraw/zinc/03/53/24/336035324.db2.gz MKCNNPBDERUCGK-UHFFFAOYSA-N 0 0 298.173 3.578 10 0 CHAERN Cn1c(COc2ccc(Cl)c(Cl)c2)nnc1C1CC1 ZINC000194656840 336036167 /nfs/dbraw/zinc/03/61/67/336036167.db2.gz GTNXVCARIOCUTG-UHFFFAOYSA-N 0 0 298.173 3.578 10 0 CHAERN Cc1ccc(SCc2nnc(C(C)C)n2C)c(C)c1 ZINC000194667759 336036578 /nfs/dbraw/zinc/03/65/78/336036578.db2.gz NUPSANZLBUOAKT-UHFFFAOYSA-N 0 0 275.421 3.848 10 0 CHAERN CCn1c(C)nnc1CN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000195056597 336044044 /nfs/dbraw/zinc/04/40/44/336044044.db2.gz VDPXACRQMPDPDK-LBPRGKRZSA-N 0 0 298.390 3.546 10 0 CHAERN CC(C)C[C@H](C)N(C)c1nc2c(s1)C(=O)CCC2 ZINC000054863547 519311920 /nfs/dbraw/zinc/31/19/20/519311920.db2.gz KWSBBHMMDSWZDH-JTQLQIEISA-N 0 0 266.410 3.533 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@@H](C)c1cccc(F)c1 ZINC000049531433 519857725 /nfs/dbraw/zinc/85/77/25/519857725.db2.gz ZXPIZQWCPOQDIU-VIFPVBQESA-N 0 0 265.357 3.812 10 0 CHAERN CC(C)c1nc(COc2cccc([C@@H](C)O)c2)cs1 ZINC000049277155 519864623 /nfs/dbraw/zinc/86/46/23/519864623.db2.gz MPQPANZMRWVDAH-LLVKDONJSA-N 0 0 277.389 3.899 10 0 CHAERN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C2CCCC2)C1 ZINC000062751348 520829786 /nfs/dbraw/zinc/82/97/86/520829786.db2.gz PZSWROWOKGGUOT-VHDGCEQUSA-N 0 0 267.413 3.530 10 0 CHAERN CCc1c(C)[nH]c2c(Cl)c(Cl)ccc2c1=O ZINC000038005100 517840915 /nfs/dbraw/zinc/84/09/15/517840915.db2.gz HFPLCJSHPLVIND-UHFFFAOYSA-N 0 0 256.132 3.706 10 0 CHAERN FC(F)(F)C1(c2nc(-c3ccsn3)no2)CCCC1 ZINC000333759647 534377591 /nfs/dbraw/zinc/37/75/91/534377591.db2.gz CKZCCFTURQFYPS-UHFFFAOYSA-N 0 0 289.282 3.567 10 0 CHAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)c1cncc(F)c1 ZINC000049576923 518934923 /nfs/dbraw/zinc/93/49/23/518934923.db2.gz AKUYZRVPDRKIAB-ZFWWWQNUSA-N 0 0 251.345 3.645 10 0 CHAERN CC(C)(C)[C@H]1CCC(=O)[C@@H](CC2CCOCC2)C1 ZINC000052173742 518971593 /nfs/dbraw/zinc/97/15/93/518971593.db2.gz ZGCZKKQNRBPWRW-KBPBESRZSA-N 0 0 252.398 3.835 10 0 CHAERN CC(C)(C)[C@H]1CCCC[C@]1(O)c1cncc(F)c1 ZINC000049576924 518972562 /nfs/dbraw/zinc/97/25/62/518972562.db2.gz AKUYZRVPDRKIAB-HIFRSBDPSA-N 0 0 251.345 3.645 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(CNc2ccon2)c1 ZINC000167771083 534418944 /nfs/dbraw/zinc/41/89/44/534418944.db2.gz ZRORGVRNHROAGQ-UHFFFAOYSA-N 0 0 276.645 3.959 10 0 CHAERN CC(C)CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151716587 519601303 /nfs/dbraw/zinc/60/13/03/519601303.db2.gz XTUMDSYKUNVJFB-HNNXBMFYSA-N 0 0 287.403 3.985 10 0 CHAERN CC(C)CN(CC(C)C)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000067040059 519713352 /nfs/dbraw/zinc/71/33/52/519713352.db2.gz PFUITIZYYSBEAJ-KGLIPLIRSA-N 0 0 263.381 3.524 10 0 CHAERN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000155431643 519777690 /nfs/dbraw/zinc/77/76/90/519777690.db2.gz FQQLTCWHFMFNCX-MFKMUULPSA-N 0 0 297.782 3.633 10 0 CHAERN CC(C)[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)O ZINC000061688634 519796052 /nfs/dbraw/zinc/79/60/52/519796052.db2.gz DGPHVTZUNYZOTM-GXFFZTMASA-N 0 0 276.298 3.781 10 0 CHAERN CC(C)c1cc(N)nc(-c2cc(Br)cs2)n1 ZINC000050866974 519833015 /nfs/dbraw/zinc/83/30/15/519833015.db2.gz FJICJPJHOUQECZ-UHFFFAOYSA-N 0 0 298.209 3.673 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)Nc2cnns2)cc1 ZINC000192336376 519839153 /nfs/dbraw/zinc/83/91/53/519839153.db2.gz MDVGSXQIERBDIK-SNVBAGLBSA-N 0 0 290.392 3.544 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C2CC2)cc1 ZINC000130305247 519839446 /nfs/dbraw/zinc/83/94/46/519839446.db2.gz YLPNGEZWOMPEES-HOTGVXAUSA-N 0 0 257.377 3.534 10 0 CHAERN CC(C)c1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000139043563 519840004 /nfs/dbraw/zinc/84/00/04/519840004.db2.gz UKWSKWZCENOIKS-QWHCGFSZSA-N 0 0 257.381 3.945 10 0 CHAERN CC(C)c1cccc2c(NN)cc(C(F)(F)F)nc21 ZINC000051170064 519843989 /nfs/dbraw/zinc/84/39/89/519843989.db2.gz MZYCGIOCNSJAEI-UHFFFAOYSA-N 0 0 269.270 3.663 10 0 CHAERN CC(C)c1ncc(-c2ccc(Br)cc2)c(N)n1 ZINC000061675312 519872414 /nfs/dbraw/zinc/87/24/14/519872414.db2.gz KXMISNPDKDNMAW-UHFFFAOYSA-N 0 0 292.180 3.612 10 0 CHAERN CC(C)c1nnc(N[C@H]2CCOc3ccccc32)s1 ZINC000269343639 519890935 /nfs/dbraw/zinc/89/09/35/519890935.db2.gz HRLCHOQASDTAAW-NSHDSACASA-N 0 0 275.377 3.597 10 0 CHAERN CCCNc1nc(-c2ccsc2)nc2c1CCC2 ZINC000050848110 520186370 /nfs/dbraw/zinc/18/63/70/520186370.db2.gz DRWJTJWCWVMPCM-UHFFFAOYSA-N 0 0 259.378 3.516 10 0 CHAERN CCCNc1nc(-c2ccsc2)nc2c1CCCC2 ZINC000050852478 520186404 /nfs/dbraw/zinc/18/64/04/520186404.db2.gz MOEUCVYTYSCWKG-UHFFFAOYSA-N 0 0 273.405 3.906 10 0 CHAERN CCNc1ccccc1C(=O)N(C)[C@@H](C)CC(C)C ZINC000050789346 520336381 /nfs/dbraw/zinc/33/63/81/520336381.db2.gz KYXVQNWLOJHRID-ZDUSSCGKSA-N 0 0 262.397 3.625 10 0 CHAERN CCNc1ncccc1CN(CC)c1ccccc1 ZINC000052717223 520375625 /nfs/dbraw/zinc/37/56/25/520375625.db2.gz BMEBLBYCLRWABP-UHFFFAOYSA-N 0 0 255.365 3.540 10 0 CHAERN CCCCN(CC)c1nc2c(s1)[C@H](O)CC(C)(C)C2 ZINC000054910602 520484940 /nfs/dbraw/zinc/48/49/40/520484940.db2.gz WXTFZLGGNLRTGG-GFCCVEGCSA-N 0 0 282.453 3.775 10 0 CHAERN CCC[C@@H](c1cccs1)n1c(CC)n[nH]c1=S ZINC000049546394 520811666 /nfs/dbraw/zinc/81/16/66/520811666.db2.gz LTVVAZNVJUYBSI-VIFPVBQESA-N 0 0 267.423 3.954 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+]2CCCCCC2)C1 ZINC000062750345 520829465 /nfs/dbraw/zinc/82/94/65/520829465.db2.gz VAHYFQSQEWAOLS-RBSFLKMASA-N 0 0 267.413 3.532 10 0 CHAERN CCC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000129039132 521004940 /nfs/dbraw/zinc/00/49/40/521004940.db2.gz KLKVMSVJRMMFJN-AAEUAGOBSA-N 0 0 287.325 3.712 10 0 CHAERN CCC[C@H](C)c1nn(C)c(N)c1-c1cccc(C)c1 ZINC000055332111 521071006 /nfs/dbraw/zinc/07/10/06/521071006.db2.gz OMYAFSQCBVJYKK-LBPRGKRZSA-N 0 0 257.381 3.881 10 0 CHAERN CCCCc1nc(Cl)c(CN[C@H](C)c2cccnc2)[nH]1 ZINC000088398765 521304862 /nfs/dbraw/zinc/30/48/62/521304862.db2.gz FHYXHEPFPMVYGA-LLVKDONJSA-N 0 0 292.814 3.652 10 0 CHAERN CCOc1ccccc1[C@](O)(CC)c1ccccc1 ZINC000055239849 521592616 /nfs/dbraw/zinc/59/26/16/521592616.db2.gz FUCQXMRHVDUEDV-KRWDZBQOSA-N 0 0 256.345 3.731 10 0 CHAERN CCOCCCC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000128433527 521692377 /nfs/dbraw/zinc/69/23/77/521692377.db2.gz RBJUWECFSBBPPG-HNNXBMFYSA-N 0 0 293.407 3.712 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000226804256 521732946 /nfs/dbraw/zinc/73/29/46/521732946.db2.gz UBJNHFKGGZCOHH-UWVGGRQHSA-N 0 0 269.439 3.502 10 0 CHAERN CCSc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000084187185 521748024 /nfs/dbraw/zinc/74/80/24/521748024.db2.gz SIFVXOMDTIVPHY-GZMMTYOYSA-N 0 0 269.797 3.590 10 0 CHAERN CC[C@H](C)c1ccc([C@H]([NH3+])C[C@@H](C)CC(=O)[O-])cc1 ZINC000061829764 522041541 /nfs/dbraw/zinc/04/15/41/522041541.db2.gz JOKYVADVKIDTNZ-TYNCELHUSA-N 0 0 263.381 3.701 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000103392815 522176912 /nfs/dbraw/zinc/17/69/12/522176912.db2.gz HZJAJISTUQDKJZ-LLVKDONJSA-N 0 0 281.421 3.798 10 0 CHAERN CC[C@@H](C)[C@@](C)(O)c1ccccc1OC(F)(F)F ZINC000055192663 522341064 /nfs/dbraw/zinc/34/10/64/522341064.db2.gz PAIGIDPWILOEGD-BXKDBHETSA-N 0 0 262.271 3.839 10 0 CHAERN CCc1nc2cc(N[C@H](C)c3cn(C)nc3C)ccc2o1 ZINC000087409144 522494917 /nfs/dbraw/zinc/49/49/17/522494917.db2.gz MWBMHNSBALQPHU-SNVBAGLBSA-N 0 0 284.363 3.605 10 0 CHAERN CCc1nc2scc(-c3ccccc3)c2c(N)n1 ZINC000050841325 522538720 /nfs/dbraw/zinc/53/87/20/522538720.db2.gz ZCDQZQKTTKQRHI-UHFFFAOYSA-N 0 0 255.346 3.503 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(C)ccc(C)c12 ZINC000050870407 522565867 /nfs/dbraw/zinc/56/58/67/522565867.db2.gz SGYMTKHMSJIZTF-UHFFFAOYSA-N 0 0 254.255 3.912 10 0 CHAERN CNc1ccc(Cl)c(COc2ccc(C)cc2)n1 ZINC000061640212 522624728 /nfs/dbraw/zinc/62/47/28/522624728.db2.gz UDDIGMDCHAJBOS-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1nc2ccsc2c(Oc2cccc(F)c2)n1 ZINC000061903498 522690571 /nfs/dbraw/zinc/69/05/71/522690571.db2.gz ZFRASLSCLQEZMW-UHFFFAOYSA-N 0 0 275.308 3.664 10 0 CHAERN COCCC1(C(=O)N2CC=C(c3ccccc3)CC2)CCC1 ZINC000157432275 522996971 /nfs/dbraw/zinc/99/69/71/522996971.db2.gz ORXSYWZUBWULDZ-UHFFFAOYSA-N 0 0 299.414 3.509 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1c(N)ccc(F)c1F ZINC000053166305 523063790 /nfs/dbraw/zinc/06/37/90/523063790.db2.gz CUKIMBVYDXKSTO-JOYOIKCWSA-N 0 0 254.324 3.928 10 0 CHAERN CC[C@@H](SC)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000132557318 523068339 /nfs/dbraw/zinc/06/83/39/523068339.db2.gz LNBGPEGSANTIKG-TZMCWYRMSA-N 0 0 281.421 3.783 10 0 CHAERN CN(c1ccc(F)cc1)c1ccc(C(N)=S)cc1Cl ZINC000062796026 523638548 /nfs/dbraw/zinc/63/85/48/523638548.db2.gz AGIYVOUEKIWNMN-UHFFFAOYSA-N 0 0 294.782 3.881 10 0 CHAERN CN(c1nc(Cl)nc2ccccc21)C1CCCC1 ZINC000052811468 523664490 /nfs/dbraw/zinc/66/44/90/523664490.db2.gz CHCFZNSYFNZWRX-UHFFFAOYSA-N 0 0 261.756 3.662 10 0 CHAERN CCc1c(C)nc(Cc2cccs2)nc1Cl ZINC000052900022 523711112 /nfs/dbraw/zinc/71/11/12/523711112.db2.gz IAQMCALPHHQTJU-UHFFFAOYSA-N 0 0 252.770 3.653 10 0 CHAERN CCc1c(C)nn(-c2ccc([C@H](C)O)cc2Cl)c1C ZINC000061697238 523715280 /nfs/dbraw/zinc/71/52/80/523715280.db2.gz UJWFROBSJBPMOC-NSHDSACASA-N 0 0 278.783 3.758 10 0 CHAERN CCc1c(Cl)ncnc1N[C@H](C)c1cccc(O)c1 ZINC000295530583 523722571 /nfs/dbraw/zinc/72/25/71/523722571.db2.gz NIULKOZLXLOWON-SECBINFHSA-N 0 0 277.755 3.571 10 0 CHAERN COc1ccc(C(=O)c2ccc(F)c(C)c2)cc1F ZINC000055262605 523781095 /nfs/dbraw/zinc/78/10/95/523781095.db2.gz JEKIORUVKHZRFI-UHFFFAOYSA-N 0 0 262.255 3.513 10 0 CHAERN CC[C@H](C)N(CC)c1nnc(Cl)c2ccccc21 ZINC000050529279 523935335 /nfs/dbraw/zinc/93/53/35/523935335.db2.gz NJJYRASZHUCJOE-JTQLQIEISA-N 0 0 263.772 3.908 10 0 CHAERN CCc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000051722729 523945505 /nfs/dbraw/zinc/94/55/05/523945505.db2.gz WUAOPXRHKMHQER-SNVBAGLBSA-N 0 0 265.303 3.971 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(C)on2)o1 ZINC000128303689 524035322 /nfs/dbraw/zinc/03/53/22/524035322.db2.gz FMEKXMGZSCSXPC-AWEZNQCLSA-N 0 0 288.347 3.506 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)SC)o1 ZINC000128386724 524035465 /nfs/dbraw/zinc/03/54/65/524035465.db2.gz OHKYPZYNBAHCJY-YPMHNXCESA-N 0 0 281.421 3.647 10 0 CHAERN COc1ccc(Cl)c(Nc2c(N)ccc(F)c2F)c1 ZINC000053167192 524186384 /nfs/dbraw/zinc/18/63/84/524186384.db2.gz INIBEXVUNBIPFK-UHFFFAOYSA-N 0 0 284.693 3.953 10 0 CHAERN COc1ccc(Cl)c(Nc2cccc(N)c2C)c1 ZINC000062725131 524187533 /nfs/dbraw/zinc/18/75/33/524187533.db2.gz GDEYDLCZLDPRPO-UHFFFAOYSA-N 0 0 262.740 3.983 10 0 CHAERN COc1cccc2c(NCc3c(C)n[nH]c3C)cc(C)nc12 ZINC000041473950 524199166 /nfs/dbraw/zinc/19/91/66/524199166.db2.gz NJFOOYRQPFGMNL-UHFFFAOYSA-N 0 0 296.374 3.504 10 0 CHAERN C[C@@H]1CCCN(c2nc3c(s2)C(=O)CC(C)(C)C3)C1 ZINC000054861533 524248324 /nfs/dbraw/zinc/24/83/24/524248324.db2.gz PNCCSCHRZKQDPO-SNVBAGLBSA-N 0 0 278.421 3.535 10 0 CHAERN COc1ccc(Cl)cc1[C@H](O)Cc1ccc(F)cc1 ZINC000055201651 524255027 /nfs/dbraw/zinc/25/50/27/524255027.db2.gz PVMJRCBETXDYQW-CQSZACIVSA-N 0 0 280.726 3.764 10 0 CHAERN C[C@@H]1CCCN1c1nc(-c2ccccc2)c(C=O)s1 ZINC000054966979 524263311 /nfs/dbraw/zinc/26/33/11/524263311.db2.gz NVJBABVCRFFSKA-LLVKDONJSA-N 0 0 272.373 3.611 10 0 CHAERN Cc1cc(C)c([C@@H](O)COc2ccccc2)c(C)c1 ZINC000055352139 524330748 /nfs/dbraw/zinc/33/07/48/524330748.db2.gz ZPASLEVPWPMQQG-INIZCTEOSA-N 0 0 256.345 3.724 10 0 CHAERN Cc1cccc(C2CC(N[C@H](C)C(F)(F)F)C2)c1 ZINC000376723465 524336076 /nfs/dbraw/zinc/33/60/76/524336076.db2.gz NVMWHYBYGSKWGX-QFWMXSHPSA-N 0 0 257.299 3.781 10 0 CHAERN COc1ccc(N(C)c2ccc(C=O)cc2C)cc1 ZINC000050545090 524357665 /nfs/dbraw/zinc/35/76/65/524357665.db2.gz NCOFJMRYKSRSGA-UHFFFAOYSA-N 0 0 255.317 3.584 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cccs3)c2)O1 ZINC000151486316 524385328 /nfs/dbraw/zinc/38/53/28/524385328.db2.gz FTFXDHCYEAWUIT-SMDDNHRTSA-N 0 0 287.384 3.921 10 0 CHAERN COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c(C)c1 ZINC000066162991 524571385 /nfs/dbraw/zinc/57/13/85/524571385.db2.gz PASQLWHDESTTNT-LBPRGKRZSA-N 0 0 288.347 3.788 10 0 CHAERN COc1ccccc1Nc1cccc(Cl)c1C(N)=S ZINC000052903801 524650687 /nfs/dbraw/zinc/65/06/87/524650687.db2.gz UJCMNXIGNGJYDR-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN Cc1ccc(Cl)cc1-c1ccc(C[C@H](C)O)o1 ZINC000062771156 524718542 /nfs/dbraw/zinc/71/85/42/524718542.db2.gz JVDNGFYBNOTADN-JTQLQIEISA-N 0 0 250.725 3.832 10 0 CHAERN Cc1cc(CN[C@H](C)c2ccc(C(C)C)cc2)no1 ZINC000044296251 524778653 /nfs/dbraw/zinc/77/86/53/524778653.db2.gz SEGUEKUDKMAFIH-CYBMUJFWSA-N 0 0 258.365 3.957 10 0 CHAERN COc1ccccc1[C@H](O)c1cc2ccccc2o1 ZINC000062797323 524800256 /nfs/dbraw/zinc/80/02/56/524800256.db2.gz RTQYXXOZKNFTFU-INIZCTEOSA-N 0 0 254.285 3.523 10 0 CHAERN Cc1cc(CSCC(=O)N[C@H](C)CCCC(C)C)no1 ZINC000105626295 524814387 /nfs/dbraw/zinc/81/43/87/524814387.db2.gz YAIDVKRMTIHFLQ-GFCCVEGCSA-N 0 0 298.452 3.547 10 0 CHAERN Cc1cc(Cl)cc(C)c1OCCCCC(N)=S ZINC000049583061 524861913 /nfs/dbraw/zinc/86/19/13/524861913.db2.gz UVMDPAFZJICTAF-UHFFFAOYSA-N 0 0 271.813 3.792 10 0 CHAERN COc1ccc(OC)c([C@@H](O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000055234604 524889440 /nfs/dbraw/zinc/88/94/40/524889440.db2.gz WNYLYNWEKRPCCO-WQGACYEGSA-N 0 0 264.365 3.564 10 0 CHAERN C[C@H](NC(=O)C1CC=CC1)c1ccc(F)c(Cl)c1 ZINC000077738971 524906027 /nfs/dbraw/zinc/90/60/27/524906027.db2.gz KMFCVFXMWRWWEA-VIFPVBQESA-N 0 0 267.731 3.623 10 0 CHAERN COc1ccc(OC)c2c(Cl)cc(C(F)F)nc12 ZINC000061629977 524920442 /nfs/dbraw/zinc/92/04/42/524920442.db2.gz QGEWVQGXZKMHMC-UHFFFAOYSA-N 0 0 273.666 3.843 10 0 CHAERN Cc1cccc2c(CCC(=O)N[C@@H](C)C(C)C)c[nH]c21 ZINC000129796257 524935561 /nfs/dbraw/zinc/93/55/61/524935561.db2.gz QMTQRIADYREYII-ZDUSSCGKSA-N 0 0 272.392 3.570 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000072094891 524957338 /nfs/dbraw/zinc/95/73/38/524957338.db2.gz IYSUSEOBKDROMA-JOYOIKCWSA-N 0 0 285.309 3.508 10 0 CHAERN Cc1cc(N)cnc1Nc1cccc(C(F)(F)F)c1 ZINC000052812418 525040326 /nfs/dbraw/zinc/04/03/26/525040326.db2.gz BYWUXXQCEBFKJH-UHFFFAOYSA-N 0 0 267.254 3.735 10 0 CHAERN Cc1cc(N)cnc1Oc1ccc(F)cc1Cl ZINC000052813737 525041794 /nfs/dbraw/zinc/04/17/94/525041794.db2.gz TUDBECWIJXEHFQ-UHFFFAOYSA-N 0 0 252.676 3.557 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)ccc1C(F)(F)F ZINC000157788973 525220740 /nfs/dbraw/zinc/22/07/40/525220740.db2.gz NMXIPAJIPUDHIP-SKDRFNHKSA-N 0 0 287.281 3.520 10 0 CHAERN Cc1cc(Nc2ncc(N)cc2C)ccc1Br ZINC000052812445 525306970 /nfs/dbraw/zinc/30/69/70/525306970.db2.gz LAHYNROWQTVKLP-UHFFFAOYSA-N 0 0 292.180 3.787 10 0 CHAERN COc1ccc([C@H](C)Nc2ccncc2Cl)cc1OC ZINC000094266987 525338226 /nfs/dbraw/zinc/33/82/26/525338226.db2.gz RROLCCOXPVANGW-JTQLQIEISA-N 0 0 292.766 3.925 10 0 CHAERN Cc1cc(Oc2ccc(N)c(Cl)c2)nc(C(C)C)n1 ZINC000050471481 525386730 /nfs/dbraw/zinc/38/67/30/525386730.db2.gz UFNJQVHHBMUZLO-UHFFFAOYSA-N 0 0 277.755 3.936 10 0 CHAERN Cc1ccccc1[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000131013904 525407465 /nfs/dbraw/zinc/40/74/65/525407465.db2.gz BTJOQBIKQCVRSJ-ZFWWWQNUSA-N 0 0 288.416 3.586 10 0 CHAERN Cc1[nH]c2c(F)ccc(Br)c2c(=O)c1C(C)C ZINC000061688056 525415423 /nfs/dbraw/zinc/41/54/23/525415423.db2.gz KDTHTVKUXOQXNV-UHFFFAOYSA-N 0 0 298.155 3.862 10 0 CHAERN Cc1ccccc1[C@H](C)SCc1nnnn1C(C)C ZINC000161928279 525419693 /nfs/dbraw/zinc/41/96/93/525419693.db2.gz RMAPPQOOMAMDSJ-LBPRGKRZSA-N 0 0 276.409 3.557 10 0 CHAERN C[C@H](NCc1cnccn1)c1ccc(Cl)c(Cl)c1 ZINC000054765605 525476338 /nfs/dbraw/zinc/47/63/38/525476338.db2.gz NGGIPOHYKFLZGZ-VIFPVBQESA-N 0 0 282.174 3.634 10 0 CHAERN C[C@@H]1C[C@H]1c1ccc(CN[C@@H]2COc3ccccc32)o1 ZINC000070070221 525510409 /nfs/dbraw/zinc/51/04/09/525510409.db2.gz YNCOSWVPXLTNBB-KCPJHIHWSA-N 0 0 269.344 3.626 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1nc(C2CC2)no1 ZINC000079287746 525660091 /nfs/dbraw/zinc/66/00/91/525660091.db2.gz VXNCJHGPIUUBSJ-RKDXNWHRSA-N 0 0 293.317 3.637 10 0 CHAERN C[C@@H](Nc1ccc(N)nc1)c1cccc(Br)c1 ZINC000049564051 525707191 /nfs/dbraw/zinc/70/71/91/525707191.db2.gz NLIORZSZJJSSOC-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN C[C@@H](Nc1ccccc1-n1cncn1)c1ccsc1 ZINC000050341840 525719802 /nfs/dbraw/zinc/71/98/02/525719802.db2.gz JNKWMPJYSGKAIX-LLVKDONJSA-N 0 0 270.361 3.502 10 0 CHAERN C[C@@H](Nc1nc(Cl)nc(Cl)n1)C1CCCCC1 ZINC000061519210 525726573 /nfs/dbraw/zinc/72/65/73/525726573.db2.gz VXQGIJSDKLYZGO-SSDOTTSWSA-N 0 0 275.183 3.559 10 0 CHAERN C[C@@H](Nc1ncnc(Cl)c1N)c1ccc(Cl)cc1 ZINC000061053257 525731760 /nfs/dbraw/zinc/73/17/60/525731760.db2.gz VXPALKMREDSJSA-SSDOTTSWSA-N 0 0 283.162 3.539 10 0 CHAERN Cc1ccc([C@@H](C)N[C@H](C)c2csc(C)n2)o1 ZINC000036960576 525746408 /nfs/dbraw/zinc/74/64/08/525746408.db2.gz MGIHWNHEGZINER-NXEZZACHSA-N 0 0 250.367 3.765 10 0 CHAERN C[C@@](O)(c1ccccc1Cl)c1cc(F)ccc1F ZINC000055242481 525781486 /nfs/dbraw/zinc/78/14/86/525781486.db2.gz JICIJTNPZVFUBQ-CQSZACIVSA-N 0 0 268.690 3.874 10 0 CHAERN Cc1ccc([C@@H](O)Cc2cccc(Cl)c2)s1 ZINC000052945412 525782345 /nfs/dbraw/zinc/78/23/45/525782345.db2.gz OOGHUPGXLZPKNG-LBPRGKRZSA-N 0 0 252.766 3.986 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC000050565721 525868652 /nfs/dbraw/zinc/86/86/52/525868652.db2.gz LYPZWVZQAWVDED-IJLUTSLNSA-N 0 0 251.345 3.504 10 0 CHAERN COc1cccc(CC(=O)c2ccc(F)c(C)c2)c1 ZINC000053766656 525876242 /nfs/dbraw/zinc/87/62/42/525876242.db2.gz NOJXGAXZXVZDID-UHFFFAOYSA-N 0 0 258.292 3.568 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)o1 ZINC000045767230 525892552 /nfs/dbraw/zinc/89/25/52/525892552.db2.gz XUZDMVUSVGITRW-OCCSQVGLSA-N 0 0 271.360 3.959 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)o1 ZINC000247877358 525906010 /nfs/dbraw/zinc/90/60/10/525906010.db2.gz ARSSOMJKSQXRDW-TUKIKUTGSA-N 0 0 287.334 3.708 10 0 CHAERN CSc1ccc(-c2nc(C)c(C(C)C)c(N)n2)cc1 ZINC000061687551 525947307 /nfs/dbraw/zinc/94/73/07/525947307.db2.gz JKIDWLKOZIBYLL-UHFFFAOYSA-N 0 0 273.405 3.880 10 0 CHAERN Cc1ccc([C@H](C)Nc2c(N)cccc2Cl)o1 ZINC000049194240 525948418 /nfs/dbraw/zinc/94/84/18/525948418.db2.gz YBHZXTLDVFHPPW-VIFPVBQESA-N 0 0 250.729 3.997 10 0 CHAERN C[C@@H](c1ccc(Cl)cc1)N(C)c1ncnc(Cl)c1N ZINC000062364686 526043700 /nfs/dbraw/zinc/04/37/00/526043700.db2.gz HXVHCUSWZRVPIA-QMMMGPOBSA-N 0 0 297.189 3.563 10 0 CHAERN COc1cccc(Nc2cc(Cl)ccc2C(N)=S)c1 ZINC000062787976 526211144 /nfs/dbraw/zinc/21/11/44/526211144.db2.gz ADWXVHAMHUHFIO-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN Cc1ccc(C(=O)Nc2c(C)cccc2N)cc1Cl ZINC000063021014 526216524 /nfs/dbraw/zinc/21/65/24/526216524.db2.gz FRHLETMORFULOK-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN O[C@H](c1ccc(Cl)s1)c1cc(F)c(F)c(F)c1 ZINC000063008401 526299928 /nfs/dbraw/zinc/29/99/28/526299928.db2.gz GYMLPIYOQQMVKX-NSHDSACASA-N 0 0 278.682 3.901 10 0 CHAERN O[C@H]1CCCCC[C@@H]1c1ccccc1OC(F)(F)F ZINC000055230214 526302722 /nfs/dbraw/zinc/30/27/22/526302722.db2.gz HLYPEQPNBOIUIN-PWSUYJOCSA-N 0 0 274.282 3.994 10 0 CHAERN O=C(CC/C=C/c1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000078078909 526325752 /nfs/dbraw/zinc/32/57/52/526325752.db2.gz IOSRQDQCQQAKLH-XVSUHRFUSA-N 0 0 299.414 3.650 10 0 CHAERN Oc1ccc2ccc(Oc3ncccc3F)cc2c1 ZINC000054701107 526354478 /nfs/dbraw/zinc/35/44/78/526354478.db2.gz IVTZQTDHJLQFMN-UHFFFAOYSA-N 0 0 255.248 3.872 10 0 CHAERN Fc1ccc2oc(CN3CCC[C@@H]3c3ccco3)nc2c1 ZINC000151533478 526378316 /nfs/dbraw/zinc/37/83/16/526378316.db2.gz AXWITFLQBCMSPC-CYBMUJFWSA-N 0 0 286.306 3.897 10 0 CHAERN C1=CC[C@@H]2CN(c3ncnc4sc5c(c43)CCC5)C[C@H]2C1 ZINC000301411901 526418003 /nfs/dbraw/zinc/41/80/03/526418003.db2.gz KNFVVJGOZCGDQY-VXGBXAGGSA-N 0 0 297.427 3.582 10 0 CHAERN c1coc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)c1 ZINC000157595614 526569641 /nfs/dbraw/zinc/56/96/41/526569641.db2.gz YVCIVPNCPUWMHT-ZDUSSCGKSA-N 0 0 281.315 3.671 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccc(F)cc2N)s1 ZINC000049533707 526746972 /nfs/dbraw/zinc/74/69/72/526746972.db2.gz SDTAVQHYWBFKMI-MRVPVSSYSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2cn(C)nc2C(C)C)s1 ZINC000280993035 526756754 /nfs/dbraw/zinc/75/67/54/526756754.db2.gz XBBGFEWTBPHZMY-JTQLQIEISA-N 0 0 278.425 3.790 10 0 CHAERN Cc1nc(Cl)cc(N[C@@H](C)Cc2ccc(F)cc2)n1 ZINC000061803481 526934877 /nfs/dbraw/zinc/93/48/77/526934877.db2.gz REZSNCGTBCYFSG-VIFPVBQESA-N 0 0 279.746 3.621 10 0 CHAERN Cc1nc(Cl)cc(N[C@H]2CCCc3ccccc32)n1 ZINC000052837521 526935841 /nfs/dbraw/zinc/93/58/41/526935841.db2.gz SJWXNMGMEPYANH-ZDUSSCGKSA-N 0 0 273.767 3.928 10 0 CHAERN Cc1nc(Cl)cc(Nc2ccc(F)cc2Cl)n1 ZINC000052835381 526935915 /nfs/dbraw/zinc/93/59/15/526935915.db2.gz AWUHSJHIGIGZAZ-UHFFFAOYSA-N 0 0 272.110 3.975 10 0 CHAERN Cc1nc(N)sc1SCc1cc(C)ccc1C ZINC000049256913 526959734 /nfs/dbraw/zinc/95/97/34/526959734.db2.gz GLCUWAQFDRERGQ-UHFFFAOYSA-N 0 0 264.419 3.943 10 0 CHAERN Cc1nc(N2CCCc3ccccc32)sc1[C@H](C)O ZINC000054910178 526967666 /nfs/dbraw/zinc/96/76/66/526967666.db2.gz XQQAHYZODJSTQT-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN O=C1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000049596759 526971557 /nfs/dbraw/zinc/97/15/57/526971557.db2.gz OVYALWHMHKDOOR-NSHDSACASA-N 0 0 297.192 3.977 10 0 CHAERN O=C1CCCc2nc(Cc3cc(F)cc(F)c3)sc21 ZINC000050329716 526986472 /nfs/dbraw/zinc/98/64/72/526986472.db2.gz XZZFXPZTQLKNRL-UHFFFAOYSA-N 0 0 279.311 3.531 10 0 CHAERN Clc1ncc(CN2CCC(c3nccs3)CC2)s1 ZINC000365889630 527008951 /nfs/dbraw/zinc/00/89/51/527008951.db2.gz GEINCUCMIULBMI-UHFFFAOYSA-N 0 0 299.852 3.633 10 0 CHAERN Clc1ncnc2cc(-c3ccc4c(c3)CCO4)sc21 ZINC000050892386 527012628 /nfs/dbraw/zinc/01/26/28/527012628.db2.gz PQEZNGILGLLBIA-UHFFFAOYSA-N 0 0 288.759 3.947 10 0 CHAERN NC(=S)c1ccc(Cl)cc1Nc1cc(F)cc(F)c1 ZINC000062787972 527118485 /nfs/dbraw/zinc/11/84/85/527118485.db2.gz BZLVZVIAFOMLEQ-UHFFFAOYSA-N 0 0 298.745 3.996 10 0 CHAERN O=C(Cc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000055199924 527211500 /nfs/dbraw/zinc/21/15/00/527211500.db2.gz IASMFHYCGSSEFM-UHFFFAOYSA-N 0 0 268.209 3.668 10 0 CHAERN O=C(Cc1cccs1)Cc1ccc(Br)cc1 ZINC000052900095 527300384 /nfs/dbraw/zinc/30/03/84/527300384.db2.gz NRCLCMPKRLIPMJ-UHFFFAOYSA-N 0 0 295.201 3.865 10 0 CHAERN O=C(Cc1cccs1)c1ccc(F)c(F)c1F ZINC000061838060 527304733 /nfs/dbraw/zinc/30/47/33/527304733.db2.gz ZOSXLZIBETUKSQ-UHFFFAOYSA-N 0 0 256.248 3.591 10 0 CHAERN Nc1ccc(Cl)c(COc2cc(F)cc(F)c2)c1 ZINC000054932108 527485441 /nfs/dbraw/zinc/48/54/41/527485441.db2.gz HYWBRXFZQVAAED-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Nc1cccc(Cl)c1SCCOCC(F)(F)F ZINC000049311255 527518903 /nfs/dbraw/zinc/51/89/03/527518903.db2.gz VHPFFYTZPPKKIV-UHFFFAOYSA-N 0 0 285.718 3.593 10 0 CHAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)c1csc2ccccc21 ZINC000054465402 527653670 /nfs/dbraw/zinc/65/36/70/527653670.db2.gz WHNXJINLQWFJKH-AWEZNQCLSA-N 0 0 275.373 3.559 10 0 CHAERN Cc1nn(C)c(C)c1[C@@H](C)Nc1ccc(F)c(C)c1 ZINC000061116681 527659124 /nfs/dbraw/zinc/65/91/24/527659124.db2.gz GGYKARUYRGWIOW-SNVBAGLBSA-N 0 0 261.344 3.658 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1c(F)cccc1Cl ZINC000052900303 527665033 /nfs/dbraw/zinc/66/50/33/527665033.db2.gz WWCCOMQOUNLIRI-VIFPVBQESA-N 0 0 270.756 3.687 10 0 CHAERN O[C@@H](c1ccc(Br)s1)C1=CCCC1 ZINC000050329182 527665943 /nfs/dbraw/zinc/66/59/43/527665943.db2.gz DQKDRHUQBSEHDL-SNVBAGLBSA-N 0 0 259.168 3.654 10 0 CHAERN CC1CCC(=Cc2nc(-c3ccsn3)no2)CC1 ZINC000333719043 528165668 /nfs/dbraw/zinc/16/56/68/528165668.db2.gz RCWMGLQIHBGJAH-UHFFFAOYSA-N 0 0 261.350 3.787 10 0 CHAERN CCCc1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)s1 ZINC000302203501 528771286 /nfs/dbraw/zinc/77/12/86/528771286.db2.gz VZOQCIHLFPQMBH-SDDRHHMPSA-N 0 0 265.426 3.506 10 0 CHAERN CC1(C)CCCC[C@H]1c1nc(C2CCOCC2)no1 ZINC000334983517 528923858 /nfs/dbraw/zinc/92/38/58/528923858.db2.gz BSCHHXQFJRIELL-LBPRGKRZSA-N 0 0 264.369 3.647 10 0 CHAERN Cc1nc2nc(CC(C)C)ccc2cc1Br ZINC000725252876 567910340 /nfs/dbraw/zinc/91/03/40/567910340.db2.gz RQERXLIFVVFFSB-UHFFFAOYSA-N 0 0 279.181 3.899 10 0 CHAERN CC(F)(F)OCCC(F)(F)C(F)(F)Br ZINC000098210578 567911551 /nfs/dbraw/zinc/91/15/51/567911551.db2.gz SMNREWUQSJVYOY-UHFFFAOYSA-N 0 0 289.013 3.629 10 0 CHAERN Cc1cc(Br)ccc1[C@@]1(O)CCC[C@H]1C ZINC000521401197 570340143 /nfs/dbraw/zinc/34/01/43/570340143.db2.gz GJSAMPXXGUVEAK-ZWNOBZJWSA-N 0 0 269.182 3.765 10 0 CHAERN COc1ccc(CCc2cc(=O)c3ccccc3o2)cc1 ZINC000000897513 560179124 /nfs/dbraw/zinc/17/91/24/560179124.db2.gz ZQBJPQZBIGVILA-UHFFFAOYSA-N 0 0 280.323 3.587 10 0 biogenic,in-vitro CHAERN C[C@H](C1C(C)(C)C1(C)C)N(Cc1ccccc1)C(N)=O ZINC000000044137 566945687 /nfs/dbraw/zinc/94/56/87/566945687.db2.gz RIQHFWRAAARWND-GFCCVEGCSA-N 0 0 274.408 3.638 10 0 CHAERN CC(C)n1cc(O[C@@H]2CCC[C@@H]3C[C@@H]3CCC[C@@H]2O)cn1 ZINC000675061103 567022760 /nfs/dbraw/zinc/02/27/60/567022760.db2.gz XWDZVMXEJSXYQR-HDEZJCGLSA-N 0 0 292.423 3.563 10 0 CHAERN CC(C)C(=O)[C@@H]1Cc2c(c(Cl)ccc2Cl)O1 ZINC000675081863 567027056 /nfs/dbraw/zinc/02/70/56/567027056.db2.gz XOEUEJXRVNNOAZ-JTQLQIEISA-N 0 0 259.132 3.522 10 0 CHAERN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)cc(C)c12 ZINC000020070109 567106885 /nfs/dbraw/zinc/10/68/85/567106885.db2.gz ZXGOXDFQFIFMMV-UHFFFAOYSA-N 0 0 265.360 3.963 10 0 CHAERN Brc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000685952278 567209661 /nfs/dbraw/zinc/20/96/61/567209661.db2.gz CTSXWUSYRCHZRZ-UHFFFAOYSA-N 0 0 277.165 3.718 10 0 CHAERN Brc1ccc(-c2n[nH]c3c2CSCC3)cc1 ZINC000685952391 567209580 /nfs/dbraw/zinc/20/95/80/567209580.db2.gz IZDLRPWTMSPFLH-UHFFFAOYSA-N 0 0 295.205 3.629 10 0 CHAERN CC(C)C(C)(C)CC(=O)CNC(=O)OCc1ccccc1 ZINC000685962027 567210587 /nfs/dbraw/zinc/21/05/87/567210587.db2.gz RUHIPQJTZBLUJQ-UHFFFAOYSA-N 0 0 291.391 3.554 10 0 CHAERN Oc1cc2ccc(Br)cc2nc1C1CC1 ZINC000685963562 567210613 /nfs/dbraw/zinc/21/06/13/567210613.db2.gz SHSPFNNPWQNPFE-UHFFFAOYSA-N 0 0 264.122 3.580 10 0 CHAERN CC(=O)c1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000058826110 567217670 /nfs/dbraw/zinc/21/76/70/567217670.db2.gz MDKWXALGJUKHOS-UHFFFAOYSA-N 0 0 251.757 3.779 10 0 CHAERN CC(C)(C)OC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000001764335 567843652 /nfs/dbraw/zinc/84/36/52/567843652.db2.gz JAIQCFIFVNAAAY-UHFFFAOYSA-N 0 0 278.348 3.597 10 0 CHAERN C[C@@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2CCc3cc(O)ccc3[C@H]12 ZINC000004369818 567857040 /nfs/dbraw/zinc/85/70/40/567857040.db2.gz DMSFWIJHZMGIJI-GRLCQKIFSA-N 0 0 286.415 3.855 10 0 CHAERN Cc1ccc(NCC(F)(F)F)cc1Br ZINC000070993914 567891035 /nfs/dbraw/zinc/89/10/35/567891035.db2.gz PVVKQJSBYLZXIF-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN CC(C)Oc1ccc(CNCc2nc3ccccc3[nH]2)cc1 ZINC000057353418 567894899 /nfs/dbraw/zinc/89/48/99/567894899.db2.gz QOHGAZBOJKFMCN-UHFFFAOYSA-N 0 0 295.386 3.640 10 0 CHAERN CN(C)c1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000058733166 567896511 /nfs/dbraw/zinc/89/65/11/567896511.db2.gz HUYRIZGNPRHFLQ-UHFFFAOYSA-N 0 0 277.371 3.913 10 0 CHAERN O=Cc1cn(Cc2ccc(F)c(F)c2)c2ccccc12 ZINC000073690693 567903164 /nfs/dbraw/zinc/90/31/64/567903164.db2.gz WBHRSQSFDKCOCJ-UHFFFAOYSA-N 0 0 271.266 3.780 10 0 CHAERN C[C@H]1C[C@@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253879 567911669 /nfs/dbraw/zinc/91/16/69/567911669.db2.gz OLIPXRLHQPMRSF-RYUDHWBXSA-N 0 0 261.365 3.706 10 0 CHAERN COc1ccc2c(c1)[C@H](CC(=O)OC(C)(C)C)C[C@H](C)N2 ZINC000725253985 567912417 /nfs/dbraw/zinc/91/24/17/567912417.db2.gz XNIVNUDJEKZZQN-RYUDHWBXSA-N 0 0 291.391 3.715 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)c2c(CO)cc(Cl)nc21 ZINC000725259082 567917079 /nfs/dbraw/zinc/91/70/79/567917079.db2.gz CFPRZWRDJYNMOP-MWLCHTKSSA-N 0 0 253.773 3.864 10 0 CHAERN C[C@]12C[C@@H](c3ccccc3)[C@@H]1C(=O)N(Cc1ccccc1)C2 ZINC000725262645 567922909 /nfs/dbraw/zinc/92/29/09/567922909.db2.gz NEFGMXAGRPULNG-NLWGTHIKSA-N 0 0 291.394 3.839 10 0 CHAERN CCCNc1cc(C)n(-c2ccccc2Br)n1 ZINC000725264059 567923082 /nfs/dbraw/zinc/92/30/82/567923082.db2.gz BELIBGGNUPWUAT-UHFFFAOYSA-N 0 0 294.196 3.765 10 0 CHAERN CC(C)[C@H]1CCc2[nH]nc(-c3ccc(C=O)s3)c2C1 ZINC000725265469 567923339 /nfs/dbraw/zinc/92/33/39/567923339.db2.gz FVFLOIWGTCCYNC-JTQLQIEISA-N 0 0 274.389 3.712 10 0 CHAERN C[C@@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265659 567923461 /nfs/dbraw/zinc/92/34/61/567923461.db2.gz SAFOCSMACPCYKK-SECBINFHSA-N 0 0 291.192 3.964 10 0 CHAERN CCC(C)(C)c1nc2ccc(Cl)cc2cc1NN ZINC000725268432 567923974 /nfs/dbraw/zinc/92/39/74/567923974.db2.gz QPMXKBAVNJRNDH-UHFFFAOYSA-N 0 0 263.772 3.861 10 0 CHAERN C[C@H]1CCc2nc(-c3ccc(Br)cc3)cn2C1 ZINC000258275160 567931145 /nfs/dbraw/zinc/93/11/45/567931145.db2.gz ILLCQYSKRRINRL-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN CN(C)c1ncc(-c2cccs2)cc1C(F)(F)F ZINC000584881096 570229040 /nfs/dbraw/zinc/22/90/40/570229040.db2.gz NNYIYICVNFFHSZ-UHFFFAOYSA-N 0 0 272.295 3.895 10 0 CHAERN Cc1ncc(-c2cnc(F)c(C(F)(F)F)c2)s1 ZINC000584880977 570229053 /nfs/dbraw/zinc/22/90/53/570229053.db2.gz KDXDSIPHQSDBSZ-UHFFFAOYSA-N 0 0 262.231 3.671 10 0 CHAERN CCC[C@H](C)c1nc2cc(C)cc(Br)n2n1 ZINC000725248363 570256011 /nfs/dbraw/zinc/25/60/11/570256011.db2.gz SEHZFVQOFLHZBH-VIFPVBQESA-N 0 0 282.185 3.704 10 0 CHAERN Brc1cc(C2CC2)cc2nc(C3CCC3)nn21 ZINC000725248558 570256059 /nfs/dbraw/zinc/25/60/59/570256059.db2.gz XHHQDYQTTGVPOQ-UHFFFAOYSA-N 0 0 292.180 3.637 10 0 CHAERN Cc1cc2nc(C3CC3)nn2c(Br)c1C(C)C ZINC000725248237 570256170 /nfs/dbraw/zinc/25/61/70/570256170.db2.gz PACYEFAFZLBTHG-UHFFFAOYSA-N 0 0 294.196 3.801 10 0 CHAERN Nc1c(F)ccc(-c2ccc(Br)cc2)c1F ZINC000675057175 570364808 /nfs/dbraw/zinc/36/48/08/570364808.db2.gz XMFHFYHFPPCYBK-UHFFFAOYSA-N 0 0 284.103 3.977 10 0 CHAERN CCCCN[S@@](=O)(=NC(CC)CC)c1cccc(N)c1 ZINC000675074256 570367500 /nfs/dbraw/zinc/36/75/00/570367500.db2.gz DZJZMWDQNMGIGZ-HXUWFJFHSA-N 0 0 297.468 3.589 10 0 CHAERN CCCNc1nc(C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000035990109 570405221 /nfs/dbraw/zinc/40/52/21/570405221.db2.gz FUDHDDLESQSHJT-UHFFFAOYSA-N 0 0 295.390 3.563 10 0 CHAERN CCC[C@@H](C)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000406029463 570411552 /nfs/dbraw/zinc/41/15/52/570411552.db2.gz UEJDPDMRUOXKGD-ZIAGYGMSSA-N 0 0 291.391 3.697 10 0 CHAERN CCC[C@@H](C)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406029460 570411711 /nfs/dbraw/zinc/41/17/11/570411711.db2.gz UEJDPDMRUOXKGD-KGLIPLIRSA-N 0 0 291.391 3.697 10 0 CHAERN CCC[C@H](C)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406029459 570411753 /nfs/dbraw/zinc/41/17/53/570411753.db2.gz UEJDPDMRUOXKGD-KBPBESRZSA-N 0 0 291.391 3.697 10 0 CHAERN CC[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606804 1118057787 /nfs/dbraw/zinc/05/77/87/1118057787.db2.gz FZIWBHUZSMQUDU-NEPJUHHUSA-N 0 0 261.394 3.590 10 0 CHAERN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708820943 977444485 /nfs/dbraw/zinc/44/44/85/977444485.db2.gz FFOGOJRACZYHDD-YPMHNXCESA-N 0 0 277.364 3.551 10 0 CHAERN CC(C)[N@H+](Cc1cccs1)Cc1cc(C(=O)[O-])cs1 ZINC000711468178 977549951 /nfs/dbraw/zinc/54/99/51/977549951.db2.gz HSGUIVQYXDFHBJ-UHFFFAOYSA-N 0 0 295.429 3.918 10 0 CHAERN C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722637238 978157094 /nfs/dbraw/zinc/15/70/94/978157094.db2.gz XVJQVJOYRQHNEL-JFGNBEQYSA-N 0 0 299.773 3.583 10 0 CHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)ccc1F ZINC000364239469 1127693824 /nfs/dbraw/zinc/69/38/24/1127693824.db2.gz PGQYBVIGAAGFBH-CYBMUJFWSA-N 0 0 290.363 3.568 10 0 CHAERN O=C(c1coc(Br)c1)N1CCC12CCCCC2 ZINC000372964087 1127818661 /nfs/dbraw/zinc/81/86/61/1127818661.db2.gz GLJWNDNXAYMKIE-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN Cc1nc(Cl)cc(Cc2ccccc2Cl)n1 ZINC000409428402 1118544525 /nfs/dbraw/zinc/54/45/25/1118544525.db2.gz DWXFRIDAKMUDEF-UHFFFAOYSA-N 0 0 253.132 3.683 10 0 CHAERN C/C=C/C=C\C(=O)Nc1cc(Cl)ccc1NCC ZINC000588401638 1118546089 /nfs/dbraw/zinc/54/60/89/1118546089.db2.gz YSRSSCXCBUWJCD-WZWXSLMZSA-N 0 0 264.756 3.843 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(Cl)cc1 ZINC000588451411 1118797329 /nfs/dbraw/zinc/79/73/29/1118797329.db2.gz LBWOAXHNBWGKNN-HJWRWDBZSA-N 0 0 272.735 3.695 10 0 CHAERN CCCCN(C(=O)/C=C\c1ncccc1C)[C@@H](C)CC ZINC000588451850 1118798350 /nfs/dbraw/zinc/79/83/50/1118798350.db2.gz LIVIENSDBZKIIU-WOLCWHLNSA-N 0 0 274.408 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(Cl)c(F)c1 ZINC000588451916 1118798436 /nfs/dbraw/zinc/79/84/36/1118798436.db2.gz WKNOGXKFDNPIJD-SREVYHEPSA-N 0 0 290.725 3.834 10 0 CHAERN CCCCCN(C(=O)/C=C\c1ncccc1C)C(C)C ZINC000588451886 1118798446 /nfs/dbraw/zinc/79/84/46/1118798446.db2.gz SVMZCIARLJXBBX-KHPPLWFESA-N 0 0 274.408 3.830 10 0 CHAERN CCc1ccc(NC(=O)/C=C\c2ncccc2C)cc1 ZINC000588452311 1118798865 /nfs/dbraw/zinc/79/88/65/1118798865.db2.gz LISCRVYAKMXFBE-KHPPLWFESA-N 0 0 266.344 3.604 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(OC(C)C)cc1 ZINC000588451882 1118798872 /nfs/dbraw/zinc/79/88/72/1118798872.db2.gz HKWMXJLFPXHJJV-KHPPLWFESA-N 0 0 296.370 3.829 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H]1CCC(C)C ZINC000588453425 1118799456 /nfs/dbraw/zinc/79/94/56/1118799456.db2.gz OGBVWZFDGNZWJM-BLIJAFNYSA-N 0 0 286.419 3.830 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC2(CC2)C1 ZINC000588491503 1118970174 /nfs/dbraw/zinc/97/01/74/1118970174.db2.gz HEQWSISEHHVNBZ-QBFSEMIESA-N 0 0 273.351 3.632 10 0 CHAERN C[C@H](CCCC(F)(F)F)OC(=O)/C=C\c1ccco1 ZINC000588510112 1119044193 /nfs/dbraw/zinc/04/41/93/1119044193.db2.gz GLUDKCBNMRSUHP-JYESYGNLSA-N 0 0 276.254 3.957 10 0 CHAERN COc1ccc(CC(C)(C)NC(=O)/C=C\C(C)(C)C)cc1 ZINC000588545757 1119184158 /nfs/dbraw/zinc/18/41/58/1119184158.db2.gz YCAJIYOSBLDDKG-QXMHVHEDSA-N 0 0 289.419 3.735 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)O[C@H]1CCc2cccnc21 ZINC000588573802 1119333645 /nfs/dbraw/zinc/33/36/45/1119333645.db2.gz LOVZWCRXLGVYTC-WWRUEGTHSA-N 0 0 299.757 3.979 10 0 CHAERN CCn1c2cccc(F)c2nc1/C(Cl)=C\c1cocn1 ZINC000588578896 1119377246 /nfs/dbraw/zinc/37/72/46/1119377246.db2.gz IHAIYDRAOBPDSS-UXBLZVDNSA-N 0 0 291.713 3.920 10 0 CHAERN Cc1cncc(/C=C\C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000588583632 1119419533 /nfs/dbraw/zinc/41/95/33/1119419533.db2.gz BPLJQNZZOMZFOA-WTKPLQERSA-N 0 0 292.382 3.597 10 0 CHAERN Cn1ccnc1CN1Cc2ccccc2-c2ccccc2C1 ZINC000101919698 1119738992 /nfs/dbraw/zinc/73/89/92/1119738992.db2.gz XDTNJQBEBFYNCZ-UHFFFAOYSA-N 0 0 289.382 3.603 10 0 CHAERN C[C@@H]1CC(OC(=O)/C=C\c2ccccc2Cl)C[C@@H](C)O1 ZINC000588448676 1120080177 /nfs/dbraw/zinc/08/01/77/1120080177.db2.gz LAQLAGKSMVPDOM-PKJDGDQJSA-N 0 0 294.778 3.852 10 0 CHAERN CC(=O)c1cc(F)ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000105881122 1120085976 /nfs/dbraw/zinc/08/59/76/1120085976.db2.gz PLHQQHNFUJTBKG-SNVBAGLBSA-N 0 0 289.272 3.807 10 0 CHAERN Cc1ncc(-c2nc([C@H]3C[C@H](C)C[C@H](C)C3)no2)c(C)n1 ZINC000273974891 1120671158 /nfs/dbraw/zinc/67/11/58/1120671158.db2.gz KOFFZQMYLLVIMD-IWIIMEHWSA-N 0 0 286.379 3.683 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)o1 ZINC000332787509 1121474064 /nfs/dbraw/zinc/47/40/64/1121474064.db2.gz NNONRUSQGWFRKI-GBJTYRQASA-N 0 0 290.407 3.767 10 0 CHAERN C[C@@H]1C[C@@H]1C(=O)O[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000103808629 1122095853 /nfs/dbraw/zinc/09/58/53/1122095853.db2.gz BUZUJTVVSNWLPB-WPGHFRTFSA-N 0 0 285.318 3.509 10 0 CHAERN CC(C)CC(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000103807590 1122096456 /nfs/dbraw/zinc/09/64/56/1122096456.db2.gz NAQFCYLZNPHYDG-QGZVFWFLSA-N 0 0 287.334 3.899 10 0 CHAERN CC(C)=CC(=O)O[C@H](c1cccc(F)c1)c1ccccn1 ZINC000103807738 1122096912 /nfs/dbraw/zinc/09/69/12/1122096912.db2.gz POTJEVBMYOXFKM-QGZVFWFLSA-N 0 0 285.318 3.820 10 0 CHAERN COCCc1ccc(OC(=O)C2CCCCCC2)cc1 ZINC000102117185 1122882958 /nfs/dbraw/zinc/88/29/58/1122882958.db2.gz BNZPVFOVPKJWPY-UHFFFAOYSA-N 0 0 276.376 3.751 10 0 CHAERN CC(C)c1noc(CCC(=O)OC2CCCCCCC2)n1 ZINC000102123283 1122885288 /nfs/dbraw/zinc/88/52/88/1122885288.db2.gz LDPKFHDFOPDTHD-UHFFFAOYSA-N 0 0 294.395 3.782 10 0 CHAERN CCOCCC(=O)Oc1ccccc1Cc1ccccc1 ZINC000102848182 1122952003 /nfs/dbraw/zinc/95/20/03/1122952003.db2.gz IJHZZYBWVCFQHX-UHFFFAOYSA-N 0 0 284.355 3.609 10 0 CHAERN Cc1ccc(Cl)c(OC(=O)CCc2ccncc2)c1 ZINC000104216266 1122981087 /nfs/dbraw/zinc/98/10/87/1122981087.db2.gz ITTNADJQODSRJM-UHFFFAOYSA-N 0 0 275.735 3.582 10 0 CHAERN C[C@H]1C[C@H](c2noc(C[C@H]3CCCC(=O)N3)n2)C[C@@H](C)C1 ZINC000329561528 1123624352 /nfs/dbraw/zinc/62/43/52/1123624352.db2.gz GETWGAPVCMRDTL-MROQNXINSA-N 0 0 291.395 3.661 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3F)c21 ZINC000103129746 1123783989 /nfs/dbraw/zinc/78/39/89/1123783989.db2.gz WCOZZIZURCYDDR-UHFFFAOYSA-N 0 0 296.345 3.588 10 0 CHAERN CC[C@@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000191900506 1125328764 /nfs/dbraw/zinc/32/87/64/1125328764.db2.gz SXRFXEDGUZXFCE-GFCCVEGCSA-N 0 0 263.406 3.800 10 0 CHAERN Cc1ccccc1SCC(=O)N1CCC[C@H]1C1CCC1 ZINC000102874153 1125347792 /nfs/dbraw/zinc/34/77/92/1125347792.db2.gz JZUBSRSRJYBFRV-HNNXBMFYSA-N 0 0 289.444 3.878 10 0 CHAERN CC[C@H](NC(=O)Nc1ccccc1)c1nc(C)cs1 ZINC000104775125 1125433253 /nfs/dbraw/zinc/43/32/53/1125433253.db2.gz ZMXJKHHGHRLMHP-LBPRGKRZSA-N 0 0 275.377 3.724 10 0 CHAERN C[C@@H](SCC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000105633711 1125436830 /nfs/dbraw/zinc/43/68/30/1125436830.db2.gz WZZRHCGCSQZMKH-SECBINFHSA-N 0 0 287.375 3.674 10 0 CHAERN O=C(O[C@H](c1ccncc1)c1ccc(F)cc1)C1CCC1 ZINC000102967983 1129673724 /nfs/dbraw/zinc/67/37/24/1129673724.db2.gz YPYGAMRFADTGQJ-INIZCTEOSA-N 0 0 285.318 3.653 10 0 CHAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1Cl ZINC000103056903 1129695058 /nfs/dbraw/zinc/69/50/58/1129695058.db2.gz CJCKWFCUEACYKA-WCQYABFASA-N 0 0 280.799 3.680 10 0 CHAERN CCC[C@@H](OC(=O)c1cscn1)c1ccccc1 ZINC000103337067 1129745982 /nfs/dbraw/zinc/74/59/82/1129745982.db2.gz ASXISMALFKJJBK-CYBMUJFWSA-N 0 0 261.346 3.841 10 0 CHAERN CC(=O)c1cccc(OC(=O)CCc2ccccc2C)c1 ZINC000103358770 1129746976 /nfs/dbraw/zinc/74/69/76/1129746976.db2.gz RHSUYDNWWVNWDU-UHFFFAOYSA-N 0 0 282.339 3.736 10 0 CHAERN CC(C)c1ccc(OC2CC2)c(Br)n1 ZINC000095712517 185019391 /nfs/dbraw/zinc/01/93/91/185019391.db2.gz LIYQROKVNYPFSD-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)c1cc(Br)ncc1OC1CC1 ZINC000095723017 185019819 /nfs/dbraw/zinc/01/98/19/185019819.db2.gz KXJSWMDQVOTRJV-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)Oc1cc(Br)ccc1OC1CC1 ZINC000095724692 185020814 /nfs/dbraw/zinc/02/08/14/185020814.db2.gz BYJYNHDDZAHNOI-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN O[C@H](c1ccccc1)c1cccc(Br)c1F ZINC000095802973 185028413 /nfs/dbraw/zinc/02/84/13/185028413.db2.gz ZYNFGLRVUGHPCA-CYBMUJFWSA-N 0 0 281.124 3.670 10 0 CHAERN O=C(OCc1ccccc1)C1C[C@@H]2CC(F)(F)C[C@H]2C1 ZINC000095835877 185029964 /nfs/dbraw/zinc/02/99/64/185029964.db2.gz QGEQRRMIWFCXSX-ZIAGYGMSSA-N 0 0 280.314 3.801 10 0 CHAERN Cc1c(N)cccc1-c1nc2cccnc2n1C(C)C ZINC000082573216 178112471 /nfs/dbraw/zinc/11/24/71/178112471.db2.gz WGIGOLFLKLNTCT-UHFFFAOYSA-N 0 0 266.348 3.570 10 0 CHAERN Cc1nc(N)nc(-c2ccc(Cl)c(Cl)c2)c1C ZINC000095935412 185033429 /nfs/dbraw/zinc/03/34/29/185033429.db2.gz AQWVVCRVFXUGDM-UHFFFAOYSA-N 0 0 268.147 3.649 10 0 CHAERN COC(=O)c1cc(O)c2cccc(-c3ccccc3)c2c1 ZINC000095937660 185034020 /nfs/dbraw/zinc/03/40/20/185034020.db2.gz IETWBMKURSATDB-UHFFFAOYSA-N 0 0 278.307 3.999 10 0 CHAERN CCc1ccc(NC(=O)C(C)(C)c2ccc(N)cc2)cc1 ZINC000082698329 178198032 /nfs/dbraw/zinc/19/80/32/178198032.db2.gz HIHVECVSOOQGSI-UHFFFAOYSA-N 0 0 282.387 3.748 10 0 CHAERN O=C(Cc1cccc(Cl)c1Cl)C(F)(F)F ZINC000082717284 178232436 /nfs/dbraw/zinc/23/24/36/178232436.db2.gz LOEYEUSPJJKHDQ-UHFFFAOYSA-N 0 0 257.038 3.667 10 0 CHAERN Cc1cc(Br)nc2c(O)ccc(Cl)c12 ZINC000082788591 178293608 /nfs/dbraw/zinc/29/36/08/178293608.db2.gz WXCUYEFZCQOTNJ-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN Cc1cc(C(=O)c2ccccc2)ccc1Br ZINC000083140066 178340679 /nfs/dbraw/zinc/34/06/79/178340679.db2.gz MEUBMEXQRMYZRZ-UHFFFAOYSA-N 0 0 275.145 3.989 10 0 CHAERN CCCNc1c(F)cc(Br)cc1F ZINC000083381990 178380851 /nfs/dbraw/zinc/38/08/51/178380851.db2.gz KDJPJLUMKIZQAT-UHFFFAOYSA-N 0 0 250.086 3.549 10 0 CHAERN O=C(c1cc(Br)ccc1F)C1CCC1 ZINC000083255982 178371367 /nfs/dbraw/zinc/37/13/67/178371367.db2.gz ADPXDFBKGQXDGQ-UHFFFAOYSA-N 0 0 257.102 3.571 10 0 CHAERN Oc1ccc(CNc2c(F)cccc2Cl)cc1 ZINC000083385651 178394272 /nfs/dbraw/zinc/39/42/72/178394272.db2.gz OEDKTGKZLWWOBE-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Brc1cnc2cccc(-c3ccccc3)n12 ZINC000096944125 185133480 /nfs/dbraw/zinc/13/34/80/185133480.db2.gz SNEVLOUBMUXZGT-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN Nc1cc(Cc2ccc(Cl)cc2Cl)ccn1 ZINC000096959434 185142263 /nfs/dbraw/zinc/14/22/63/185142263.db2.gz YOIMGPGMXCYEAK-UHFFFAOYSA-N 0 0 253.132 3.561 10 0 CHAERN CCc1ccc([C@H](Nc2ncnc3n[nH]cc32)C(C)(C)C)o1 ZINC000301559388 529726498 /nfs/dbraw/zinc/72/64/98/529726498.db2.gz JRTRXQHPMRDPDE-ZDUSSCGKSA-N 0 0 299.378 3.708 10 0 CHAERN CCc1nc2sccc2c(N[C@@H]2CCC[C@@H](OC)C2)n1 ZINC000301825779 529751810 /nfs/dbraw/zinc/75/18/10/529751810.db2.gz DWNAGWGTBPPEJU-GHMZBOCLSA-N 0 0 291.420 3.623 10 0 CHAERN CN(C)c1nc2ccc(N[C@H]3CCCc4occc43)cc2o1 ZINC000333277805 529805735 /nfs/dbraw/zinc/80/57/35/529805735.db2.gz IWOBHTUDMURHJL-ZDUSSCGKSA-N 0 0 297.358 3.976 10 0 CHAERN CCCc1c(Cl)ncnc1N1CC[C@H](C)C[C@@H]1C ZINC000104226366 136525989 /nfs/dbraw/zinc/52/59/89/136525989.db2.gz YALDSBNJKXLGMI-QWRGUYRKSA-N 0 0 267.804 3.707 10 0 CHAERN CCCc1nnc(Cl)n1-c1ccccc1C(C)C ZINC000103928727 185863323 /nfs/dbraw/zinc/86/33/23/185863323.db2.gz HZXRZBGSZOJRTQ-UHFFFAOYSA-N 0 0 263.772 3.997 10 0 CHAERN CNc1cc(C2CC2)nc(-c2ccc(C)c(F)c2)n1 ZINC000103965054 185870101 /nfs/dbraw/zinc/87/01/01/185870101.db2.gz PCWGQUGISJVSQK-UHFFFAOYSA-N 0 0 257.312 3.510 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OC(=O)c1c(C)cccc1N ZINC000103986869 185876212 /nfs/dbraw/zinc/87/62/12/185876212.db2.gz PGBFIINHMKFTPH-OCCSQVGLSA-N 0 0 261.365 3.703 10 0 CHAERN CC(=O)[C@@H](c1nc([C@H]2CCC[C@@H](C)C2)no1)C(C)C ZINC000104052728 185886207 /nfs/dbraw/zinc/88/62/07/185886207.db2.gz WKNKMSXHEYVDTQ-WXHSDQCUSA-N 0 0 264.369 3.692 10 0 CHAERN CCCCC[C@@H](C)Nc1nc(Cl)nc(OCCC)n1 ZINC000104157380 185913149 /nfs/dbraw/zinc/91/31/49/185913149.db2.gz OMPWQVMDBJEETC-SNVBAGLBSA-N 0 0 286.807 3.695 10 0 CHAERN CCc1nc2c(F)cc(F)c(F)c2c(NC)c1C ZINC000104168216 185915553 /nfs/dbraw/zinc/91/55/53/185915553.db2.gz GCNVGTUOEGSHKJ-UHFFFAOYSA-N 0 0 254.255 3.565 10 0 CHAERN NC(=S)c1cc(Cl)ccc1NCCC1CCCC1 ZINC000104174009 185917349 /nfs/dbraw/zinc/91/73/49/185917349.db2.gz RZGAFDHIOIQKNT-UHFFFAOYSA-N 0 0 282.840 3.966 10 0 CHAERN Cc1nc(Cl)c(C)c(N[C@H](C)c2ccsc2)n1 ZINC000104215602 185933735 /nfs/dbraw/zinc/93/37/35/185933735.db2.gz LPNHASFIBFFUQE-MRVPVSSYSA-N 0 0 267.785 3.981 10 0 CHAERN Cc1nc(Cl)c(C)c(N[C@H](C)Cc2ccccc2)n1 ZINC000104228050 185936705 /nfs/dbraw/zinc/93/67/05/185936705.db2.gz IULIYLUIAXROBB-SNVBAGLBSA-N 0 0 275.783 3.790 10 0 CHAERN COc1cc(S[C@H]2CCC[C@H](C)C2)ccc1N ZINC000104245228 185941951 /nfs/dbraw/zinc/94/19/51/185941951.db2.gz SAIRCVJOYIGCFE-QWRGUYRKSA-N 0 0 251.395 3.948 10 0 CHAERN Cc1ccc([C@@H](C)O)c(OCCc2cccs2)c1 ZINC000104264847 185948200 /nfs/dbraw/zinc/94/82/00/185948200.db2.gz WCLLARZLLIOOJR-GFCCVEGCSA-N 0 0 262.374 3.731 10 0 CHAERN O=Cc1c(SC2CCCCC2)nc2ccccn12 ZINC000104302231 185959961 /nfs/dbraw/zinc/95/99/61/185959961.db2.gz HVTWEEKLXBGDCL-UHFFFAOYSA-N 0 0 260.362 3.572 10 0 CHAERN CN(CC1CCCC1)c1ccc(C(F)(F)F)cc1N ZINC000104359793 185982137 /nfs/dbraw/zinc/98/21/37/185982137.db2.gz MOGODMFLBHRUQL-UHFFFAOYSA-N 0 0 272.314 3.914 10 0 CHAERN C[C@H]1CCC[C@H](Sc2ncc(Br)cn2)C1 ZINC000104384583 185988655 /nfs/dbraw/zinc/98/86/55/185988655.db2.gz MUYBKOIFXYVQGJ-WPRPVWTQSA-N 0 0 287.226 3.910 10 0 CHAERN CN(CC1CCCC1)c1cccc(Cl)c1C=O ZINC000104366292 185985231 /nfs/dbraw/zinc/98/52/31/185985231.db2.gz CJNGGAOQHWHNKW-UHFFFAOYSA-N 0 0 251.757 3.779 10 0 CHAERN Cc1ccnc([C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000104422515 185996051 /nfs/dbraw/zinc/99/60/51/185996051.db2.gz IGDNULZUFVPFPA-ZDUSSCGKSA-N 0 0 268.143 3.779 10 0 CHAERN COc1ccc(OC2(Oc3ccc(Cl)cc3)N=N2)cc1 ZINC000090547881 180001630 /nfs/dbraw/zinc/00/16/30/180001630.db2.gz AERJIDFFELQKHM-UHFFFAOYSA-N 0 0 290.706 3.884 10 0 CHAERN COc1ccc(Sc2cc(Cl)nc(Cl)n2)cc1 ZINC000090547948 180001634 /nfs/dbraw/zinc/00/16/34/180001634.db2.gz IZPOTHUVIMXSPS-UHFFFAOYSA-N 0 0 287.171 3.943 10 0 CHAERN COc1ccc2nc(OC)c(Cc3ccccc3)cc2c1 ZINC000090555745 180003741 /nfs/dbraw/zinc/00/37/41/180003741.db2.gz LDUXRVAGLBQABP-UHFFFAOYSA-N 0 0 279.339 3.843 10 0 CHAERN O=C(Cc1cnc(-c2ccccc2)o1)c1cccs1 ZINC000090624483 180015286 /nfs/dbraw/zinc/01/52/86/180015286.db2.gz XJXHSJINSASYJF-UHFFFAOYSA-N 0 0 269.325 3.829 10 0 CHAERN O=Cc1cccc(-c2ncccc2C(F)(F)F)c1 ZINC000090669362 180020429 /nfs/dbraw/zinc/02/04/29/180020429.db2.gz HQJAUILKVDWKFO-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN Oc1cnc(-c2ccc(OCc3ccccc3)c(F)c2)nc1 ZINC000090715728 180029269 /nfs/dbraw/zinc/02/92/69/180029269.db2.gz OCOQDCBBBFPUSU-UHFFFAOYSA-N 0 0 296.301 3.567 10 0 CHAERN CCCC[C@@H](O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000091352047 180137642 /nfs/dbraw/zinc/13/76/42/180137642.db2.gz ROBLUPDKFXQRLI-CYBMUJFWSA-N 0 0 255.745 3.522 10 0 CHAERN Clc1nncc(OCC2CCCCC2)c1Cl ZINC000091365330 180142536 /nfs/dbraw/zinc/14/25/36/180142536.db2.gz VMDSPSCQVFYVFL-UHFFFAOYSA-N 0 0 261.152 3.743 10 0 CHAERN FC1(F)C(F)(F)C(Cl)(Cl)OC1(Cl)Cl ZINC000104833582 186026470 /nfs/dbraw/zinc/02/64/70/186026470.db2.gz LOYUBXDRXCEDLQ-UHFFFAOYSA-N 0 0 281.847 3.550 10 0 CHAERN Cc1cc(N)sc1-c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000106037963 186099601 /nfs/dbraw/zinc/09/96/01/186099601.db2.gz MGFHRCTYJCYCMI-PSASIEDQSA-N 0 0 277.393 3.982 10 0 CHAERN Cc1ccc([C@H](C)NCc2nc(C(F)(F)F)cs2)o1 ZINC000157388873 261145611 /nfs/dbraw/zinc/14/56/11/261145611.db2.gz UFSYCTQOQYALPJ-QMMMGPOBSA-N 0 0 290.310 3.914 10 0 CHAERN CCOC(=O)c1ccc2c(Br)cc(F)cc2c1 ZINC000261508260 190040126 /nfs/dbraw/zinc/04/01/26/190040126.db2.gz QXBFINWSSFIRIJ-UHFFFAOYSA-N 0 0 297.123 3.918 10 0 CHAERN O[C@H]1CCCC[C@H]1c1ccccc1OC(F)(F)F ZINC000055230075 256724705 /nfs/dbraw/zinc/72/47/05/256724705.db2.gz YQDZZDXWFCDICT-ONGXEEELSA-N 0 0 260.255 3.604 10 0 CHAERN CCCN(C(=O)N[C@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000171410969 335064952 /nfs/dbraw/zinc/06/49/52/335064952.db2.gz XZBZPRCUUNVPOR-SNVBAGLBSA-N 0 0 282.334 3.610 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000171444120 335066201 /nfs/dbraw/zinc/06/62/01/335066201.db2.gz LGNPLYCVNIXJCP-LBPRGKRZSA-N 0 0 293.432 3.942 10 0 CHAERN CC[C@H](CC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000171464368 335066287 /nfs/dbraw/zinc/06/62/87/335066287.db2.gz SMNUHMXSASRTGK-RHSMWYFYSA-N 0 0 295.382 3.820 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1nc(Cl)nc(Cl)n1 ZINC000000152533 134520102 /nfs/dbraw/zinc/52/01/02/134520102.db2.gz KICJSLSGWIDGQU-UHFFFAOYSA-N 0 0 295.173 3.571 10 0 CHAERN CC[C@@H]1CCCN(c2ccc([C@@H](C)O)cc2F)C1 ZINC000036170062 134808261 /nfs/dbraw/zinc/80/82/61/134808261.db2.gz PBQWXDMKBJUZLD-VXGBXAGGSA-N 0 0 251.345 3.505 10 0 CHAERN CCOC(=O)c1c(N)scc1C1CCCCC1 ZINC000003277954 169875014 /nfs/dbraw/zinc/87/50/14/169875014.db2.gz WYJCNFXJKNFUBR-UHFFFAOYSA-N 0 0 253.367 3.555 10 0 CHAERN CCOc1ccc(NC(=O)/C=C/c2cccc(OC)c2)cc1 ZINC000003483082 169891567 /nfs/dbraw/zinc/89/15/67/169891567.db2.gz JRYMZPCQJLKLAK-KPKJPENVSA-N 0 0 297.354 3.746 10 0 CHAERN O=C(NC1CCCCCCC1)C(Cl)(Cl)Cl ZINC000005282840 170082314 /nfs/dbraw/zinc/08/23/14/170082314.db2.gz UWMZNLOLXINPMJ-UHFFFAOYSA-N 0 0 272.603 3.586 10 0 CHAERN CCCC[C@@H](c1cccnc1)n1nnc2ccccc21 ZINC000005309774 170084781 /nfs/dbraw/zinc/08/47/81/170084781.db2.gz HYOAOIDXZBXELC-HNNXBMFYSA-N 0 0 266.348 3.606 10 0 CHAERN Cc1ccc(C(=O)C[C@@H](C)n2nnc3ccccc32)cc1 ZINC000005380479 170091900 /nfs/dbraw/zinc/09/19/00/170091900.db2.gz UVUATXQPNKJBFZ-CYBMUJFWSA-N 0 0 279.343 3.574 10 0 CHAERN Cc1ccc2nc(NC(=O)c3ccc(O)cc3)sc2c1 ZINC000005418110 170096781 /nfs/dbraw/zinc/09/67/81/170096781.db2.gz MGZCYDPRGQWXFS-UHFFFAOYSA-N 0 0 284.340 3.563 10 0 CHAERN O=C1CCCC[C@H]1C1(n2nc3ccccc3n2)CCCCC1 ZINC000005519734 170107416 /nfs/dbraw/zinc/10/74/16/170107416.db2.gz GKYLYQCUPGLUOB-CQSZACIVSA-N 0 0 297.402 3.850 10 0 CHAERN CCOC(=O)c1cnc2ccc(C)cc2c1N(CC)CC ZINC000005597916 170117705 /nfs/dbraw/zinc/11/77/05/170117705.db2.gz VWLFTEMHNAJEFI-UHFFFAOYSA-N 0 0 286.375 3.566 10 0 CHAERN CC[C@H](c1ccc(O)cc1)[C@@H](C(C)=O)c1ccc(O)cc1 ZINC000005651489 170124204 /nfs/dbraw/zinc/12/42/04/170124204.db2.gz HNQLJUUKIAVRLQ-MSOLQXFVSA-N 0 0 284.355 3.964 10 0 CHAERN CCc1cc(Br)cc2cc(C(C)=O)oc21 ZINC000005688562 170129630 /nfs/dbraw/zinc/12/96/30/170129630.db2.gz PPNZFWQOMJVVJT-UHFFFAOYSA-N 0 0 267.122 3.960 10 0 CHAERN Cc1nc([C@H]2CC(=O)c3cc(Cl)ccc3O2)cs1 ZINC000005943283 170159835 /nfs/dbraw/zinc/15/98/35/170159835.db2.gz HXSWSDBGJPRQQB-CYBMUJFWSA-N 0 0 279.748 3.811 10 0 CHAERN COc1cc(Br)cc(C)c1Br ZINC000006069941 170173707 /nfs/dbraw/zinc/17/37/07/170173707.db2.gz KAZLSZRLSZFBIF-UHFFFAOYSA-N 0 0 279.959 3.529 10 0 CHAERN Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 ZINC000006093099 170175653 /nfs/dbraw/zinc/17/56/53/170175653.db2.gz VMFCMPIPSNBHJH-UHFFFAOYSA-N 0 0 261.664 3.979 10 0 CHAERN CCOC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000006124637 170178319 /nfs/dbraw/zinc/17/83/19/170178319.db2.gz UUCNOIHLAKPXOK-UHFFFAOYSA-N 0 0 276.361 3.941 10 0 CHAERN CC(C)CNC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006306025 170189889 /nfs/dbraw/zinc/18/98/89/170189889.db2.gz RBQSLOHNEGCBSH-AQTBWJFISA-N 0 0 279.383 3.999 10 0 CHAERN CCC(CC)C(=O)Nc1nnc(CC(C)(C)C)s1 ZINC000006309467 170190133 /nfs/dbraw/zinc/19/01/33/170190133.db2.gz XTTPRFYVZWVMDP-UHFFFAOYSA-N 0 0 269.414 3.501 10 0 CHAERN S=C(NC1CCCCC1)N[C@H]1CCCc2ccccc21 ZINC000006333453 170192826 /nfs/dbraw/zinc/19/28/26/170192826.db2.gz ZLIIJEJGXKUJOX-INIZCTEOSA-N 0 0 288.460 3.861 10 0 CHAERN O=C(CC1CCCC1)NC1C2CC3CC(C2)CC1C3 ZINC000007037129 170263432 /nfs/dbraw/zinc/26/34/32/170263432.db2.gz WTEFKPDYJYEDCM-UHFFFAOYSA-N 0 0 261.409 3.508 10 0 CHAERN O=C(NC1CCCCC1)c1csc(-c2ccsc2)n1 ZINC000007071033 170266236 /nfs/dbraw/zinc/26/62/36/170266236.db2.gz OVBLLAWNXVYXBL-UHFFFAOYSA-N 0 0 292.429 3.934 10 0 CHAERN CC(C)[C@H](NC(=O)c1ccccc1)c1cccs1 ZINC000007078116 170266877 /nfs/dbraw/zinc/26/68/77/170266877.db2.gz KYZYIJUCPRLXDU-AWEZNQCLSA-N 0 0 259.374 3.875 10 0 CHAERN CCOc1ccccc1/C=C/C(=O)NC1CCCCC1 ZINC000007609015 170293092 /nfs/dbraw/zinc/29/30/92/170293092.db2.gz LSYCAZHYQWWRGT-OUKQBFOZSA-N 0 0 273.376 3.547 10 0 CHAERN Cc1ccccc1/C=C/C(=O)Nc1ccc(F)cc1 ZINC000007638932 170294962 /nfs/dbraw/zinc/29/49/62/170294962.db2.gz OEFONQBNXCPKSR-IZZDOVSWSA-N 0 0 255.292 3.786 10 0 CHAERN O=C1c2ccccc2[C@@H]2Nc3cccc4cccc(c43)N12 ZINC000007654858 170295957 /nfs/dbraw/zinc/29/59/57/170295957.db2.gz UKHJAICDZISVRB-QGZVFWFLSA-N 0 0 272.307 3.924 10 0 CHAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(C)o1 ZINC000007885399 170306158 /nfs/dbraw/zinc/30/61/58/170306158.db2.gz RLPDVMXOEOEZFZ-MEDUHNTESA-N 0 0 284.359 3.953 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000008106191 170319321 /nfs/dbraw/zinc/31/93/21/170319321.db2.gz GTRSNIZRZTXINB-ZDUSSCGKSA-N 0 0 269.344 3.655 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000008181794 170323181 /nfs/dbraw/zinc/32/31/81/170323181.db2.gz WAVCEJUXKQZDTG-RUMSDORHSA-N 0 0 265.356 3.886 10 0 CHAERN CC(C)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000008296939 170329592 /nfs/dbraw/zinc/32/95/92/170329592.db2.gz YACWBNPWGYLLLL-UHFFFAOYSA-N 0 0 290.388 3.792 10 0 CHAERN O=C(Nc1onc2c1CCCC2)c1ccc(Cl)s1 ZINC000008736930 170352785 /nfs/dbraw/zinc/35/27/85/170352785.db2.gz NLCXQOPEAHOPJU-UHFFFAOYSA-N 0 0 282.752 3.521 10 0 CHAERN COC(=O)C1(c2ccccc2Cl)CCCCC1 ZINC000009280736 170370016 /nfs/dbraw/zinc/37/00/16/170370016.db2.gz JRNZXJMYWGHOHP-UHFFFAOYSA-N 0 0 252.741 3.715 10 0 CHAERN C[C@@H]1CCC[C@@H](C)N1CC(=O)c1ccc(Cl)cc1 ZINC000009998149 170393874 /nfs/dbraw/zinc/39/38/74/170393874.db2.gz JIFMKVRKDGFTSB-VXGBXAGGSA-N 0 0 265.784 3.786 10 0 CHAERN OC[C@H](Cc1ccccc1Cl)c1ccccc1F ZINC000011734287 170436411 /nfs/dbraw/zinc/43/64/11/170436411.db2.gz OREGJKDAAMODOL-LBPRGKRZSA-N 0 0 264.727 3.798 10 0 CHAERN Cc1ccc(Oc2ccc(C(N)=S)cc2)c(C)c1 ZINC000011803330 170442828 /nfs/dbraw/zinc/44/28/28/170442828.db2.gz SOSGGRFDQJZSMF-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN Clc1ccc(CCNc2nncc3ccccc32)cc1 ZINC000013476438 170554479 /nfs/dbraw/zinc/55/44/79/170554479.db2.gz FWPDOOLACMWIJC-UHFFFAOYSA-N 0 0 283.762 3.938 10 0 CHAERN S=c1[nH]ccn1Cc1ccc(Cl)cc1Cl ZINC000013776317 170592746 /nfs/dbraw/zinc/59/27/46/170592746.db2.gz MKOFKSXCLASLCV-UHFFFAOYSA-N 0 0 259.161 3.901 10 0 CHAERN CCc1ccc([C@H](C)NC(=S)NC2CCCC2)cc1 ZINC000013931109 170608237 /nfs/dbraw/zinc/60/82/37/170608237.db2.gz FGLOKJBOJVZMDJ-LBPRGKRZSA-N 0 0 276.449 3.717 10 0 CHAERN CCC(=O)Nc1ccccc1OC(=O)/C=C/c1ccccc1 ZINC000014040787 170617175 /nfs/dbraw/zinc/61/71/75/170617175.db2.gz RTXKSVPFBMAIHQ-OUKQBFOZSA-N 0 0 295.338 3.654 10 0 CHAERN C[C@H](NC(=O)c1ccco1)c1ccc2ccccc2c1 ZINC000014424691 170633759 /nfs/dbraw/zinc/63/37/59/170633759.db2.gz OJEZUJWFIOEWKK-LBPRGKRZSA-N 0 0 265.312 3.924 10 0 CHAERN CCC(CC)C(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019273155 170768288 /nfs/dbraw/zinc/76/82/88/170768288.db2.gz PZNJZEWWGXAKBO-UHFFFAOYSA-N 0 0 274.286 3.662 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(N)ccc1C ZINC000019277801 170770025 /nfs/dbraw/zinc/77/00/25/170770025.db2.gz WKHCHBISNMTREK-CZUORRHYSA-N 0 0 290.407 3.501 10 0 CHAERN CSc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1 ZINC000019278400 170770489 /nfs/dbraw/zinc/77/04/89/170770489.db2.gz JLBCOYQTTKJXPF-UHFFFAOYSA-N 0 0 292.791 3.896 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1OCc1ccccc1C(N)=S ZINC000019806207 170875056 /nfs/dbraw/zinc/87/50/56/170875056.db2.gz HPFVTAMOSDSSQX-DOMZBBRYSA-N 0 0 277.433 3.806 10 0 CHAERN COc1ccc([C@H](C)Nc2ccccc2)cc1OC ZINC000019879613 170907507 /nfs/dbraw/zinc/90/75/07/170907507.db2.gz ONGKRFXBZZDMPJ-LBPRGKRZSA-N 0 0 257.333 3.877 10 0 CHAERN COc1ccccc1N[C@@H]1CCOc2ccccc21 ZINC000019902115 170914571 /nfs/dbraw/zinc/91/45/71/170914571.db2.gz PMJTUKGNFOIZHN-CYBMUJFWSA-N 0 0 255.317 3.631 10 0 CHAERN COc1cc(OC)c(NCc2ccc(O)cc2)cc1Cl ZINC000019910816 170921539 /nfs/dbraw/zinc/92/15/39/170921539.db2.gz AEYPMVABDWDMJK-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN CCC[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000019911788 170922310 /nfs/dbraw/zinc/92/23/10/170922310.db2.gz WBIDFLPNLLCTMF-MRXNPFEDSA-N 0 0 268.360 3.739 10 0 CHAERN NC(=S)c1ccc(Nc2cccc(Cl)c2Cl)nc1 ZINC000020012718 170969148 /nfs/dbraw/zinc/96/91/48/170969148.db2.gz BTYABHJIYILPEP-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN CNC(=O)c1cccc(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000020124616 171007093 /nfs/dbraw/zinc/00/70/93/171007093.db2.gz LQRULJVTUVGAQZ-ZDUSSCGKSA-N 0 0 268.360 3.528 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2ccc(-c3nnco3)cc2)C1 ZINC000020186830 171050838 /nfs/dbraw/zinc/05/08/38/171050838.db2.gz BNMUNUBRGWKQKD-BXUZGUMPSA-N 0 0 257.337 3.727 10 0 CHAERN COc1ccc(C)cc1[C@@H](C)Nc1cccc(O)c1 ZINC000020193853 171059489 /nfs/dbraw/zinc/05/94/89/171059489.db2.gz YGYNXMVJIPOQOH-GFCCVEGCSA-N 0 0 257.333 3.882 10 0 CHAERN CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 ZINC000020210565 171073830 /nfs/dbraw/zinc/07/38/30/171073830.db2.gz GIKLOFPKIOQZNQ-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN CN(C(=O)c1cccc(Cl)c1Cl)c1ccc(O)cc1 ZINC000020210732 171074298 /nfs/dbraw/zinc/07/42/98/171074298.db2.gz KJIKRSMJWLNGRX-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN CN(C(=O)c1c(Cl)cccc1Cl)c1ccc(O)cc1 ZINC000020210747 171074339 /nfs/dbraw/zinc/07/43/39/171074339.db2.gz FZZJHHJEWWINGF-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN CN(C(=O)Nc1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020212743 171075254 /nfs/dbraw/zinc/07/52/54/171075254.db2.gz DLTOISJIAKFPAO-UHFFFAOYSA-N 0 0 276.723 3.714 10 0 CHAERN O=C(Nc1cccc(Cl)c1Cl)c1cccc(O)c1 ZINC000020247153 171100196 /nfs/dbraw/zinc/10/01/96/171100196.db2.gz XTCPWQAFCPJSHG-UHFFFAOYSA-N 0 0 282.126 3.951 10 0 CHAERN CCOC(=O)Cc1nc(-c2ccc(C)cc2C)cs1 ZINC000020311713 171144443 /nfs/dbraw/zinc/14/44/43/171144443.db2.gz NTSNENXNEFGNCE-UHFFFAOYSA-N 0 0 275.373 3.533 10 0 CHAERN C[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)NC(C)(C)C ZINC000020313144 171144916 /nfs/dbraw/zinc/14/49/16/171144916.db2.gz IYPYVYBOHAFFND-MRVPVSSYSA-N 0 0 289.206 3.709 10 0 CHAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)C ZINC000020313921 171145643 /nfs/dbraw/zinc/14/56/43/171145643.db2.gz XVZJLKAXYSBQDO-MRVPVSSYSA-N 0 0 289.206 3.709 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000020343429 171153421 /nfs/dbraw/zinc/15/34/21/171153421.db2.gz AHMKVDAQFLMSMK-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Cn1cccc1CNc1cccc(Cl)c1Cl ZINC000020359403 171158053 /nfs/dbraw/zinc/15/80/53/171158053.db2.gz CUVYNDPQCJMWFO-UHFFFAOYSA-N 0 0 255.148 3.944 10 0 CHAERN C[C@H](Nc1cccc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000020359409 171158325 /nfs/dbraw/zinc/15/83/25/171158325.db2.gz DMNXPAYVBMSUDO-QMMMGPOBSA-N 0 0 289.206 3.709 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)c(O)c1 ZINC000020363042 171162160 /nfs/dbraw/zinc/16/21/60/171162160.db2.gz ZOUPPHTXBOEZBG-UHFFFAOYSA-N 0 0 279.698 3.745 10 0 CHAERN CCC[C@H](C)NC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020365047 171163843 /nfs/dbraw/zinc/16/38/43/171163843.db2.gz GVMQXLGYXRPPAL-RYUDHWBXSA-N 0 0 280.437 3.514 10 0 CHAERN CCCCNC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366369 171165367 /nfs/dbraw/zinc/16/53/67/171165367.db2.gz YPDNOXRHECXJPE-VIFPVBQESA-N 0 0 289.206 3.710 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366390 171165444 /nfs/dbraw/zinc/16/54/44/171165444.db2.gz YYMQLPFZKGDNHG-RKDXNWHRSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366362 171165446 /nfs/dbraw/zinc/16/54/46/171165446.db2.gz BILVRCHLFWUJGA-BDAKNGLRSA-N 0 0 289.206 3.709 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccccc1C(C)C ZINC000020368010 171166343 /nfs/dbraw/zinc/16/63/43/171166343.db2.gz DWRVQVBDOIFHFM-CHWSQXEVSA-N 0 0 262.397 3.525 10 0 CHAERN CC(C)(C)c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1 ZINC000020368507 171166418 /nfs/dbraw/zinc/16/64/18/171166418.db2.gz YUTLZBKFCAIEQO-UHFFFAOYSA-N 0 0 278.355 3.888 10 0 CHAERN CCOc1ccccc1[C@@H](N)c1cc2ccccc2o1 ZINC000020369309 171167240 /nfs/dbraw/zinc/16/72/40/171167240.db2.gz YFEWQFYJEKIOIC-QGZVFWFLSA-N 0 0 267.328 3.880 10 0 CHAERN O=C1NC(=S)SC1=Cc1ccc2ccccc2n1 ZINC000020413993 171183004 /nfs/dbraw/zinc/18/30/04/171183004.db2.gz YVCFTDKLUAYRDD-XFFZJAGNSA-N 0 0 272.354 3.564 10 0 CHAERN Cc1cc(CNc2cc(F)ccc2F)cc(C)c1O ZINC000020424177 171191172 /nfs/dbraw/zinc/19/11/72/171191172.db2.gz ZMVQCZZSYTZKRU-UHFFFAOYSA-N 0 0 263.287 3.899 10 0 CHAERN O=C(Cc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000020427287 171192564 /nfs/dbraw/zinc/19/25/64/171192564.db2.gz ZTUVAJPVQKVQAU-UHFFFAOYSA-N 0 0 265.234 3.526 10 0 CHAERN O=C(Cc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000020427169 171192752 /nfs/dbraw/zinc/19/27/52/171192752.db2.gz LJPRPXLLPLLUEF-UHFFFAOYSA-N 0 0 265.234 3.526 10 0 CHAERN Fc1ccc(NC2CCCC2)c(Br)c1 ZINC000020430612 171195491 /nfs/dbraw/zinc/19/54/91/171195491.db2.gz YRVNSSNZRIPSPG-UHFFFAOYSA-N 0 0 258.134 3.943 10 0 CHAERN OCc1ccc(Oc2ccccc2Br)c(F)c1 ZINC000020435082 171200414 /nfs/dbraw/zinc/20/04/14/171200414.db2.gz AUIZIBOQZZMRNF-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN OCc1c(Cl)cccc1Oc1ccccc1F ZINC000020435349 171201518 /nfs/dbraw/zinc/20/15/18/171201518.db2.gz HRDBAEHTDIJCGS-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN OCc1ccc(Oc2cccc(Br)c2)cc1 ZINC000020435390 171201566 /nfs/dbraw/zinc/20/15/66/171201566.db2.gz FZXGDPBHGGBLQF-UHFFFAOYSA-N 0 0 279.133 3.734 10 0 CHAERN O=C(Nc1cccc(/C=C/c2ccncc2)c1)C1CC1 ZINC000020436453 171201899 /nfs/dbraw/zinc/20/18/99/171201899.db2.gz YPLSIPNIANSUDQ-SNAWJCMRSA-N 0 0 264.328 3.601 10 0 CHAERN FC(F)(F)c1cccc(Cl)c1NC[C@H]1CCCO1 ZINC000020443487 171205567 /nfs/dbraw/zinc/20/55/67/171205567.db2.gz BPVGXNAYQGTKAE-MRVPVSSYSA-N 0 0 279.689 3.950 10 0 CHAERN Oc1ccc2c(c1)OC[C@H]2Nc1cccc(Cl)c1F ZINC000020472217 171215149 /nfs/dbraw/zinc/21/51/49/171215149.db2.gz UIONQMPXCAYAQV-GFCCVEGCSA-N 0 0 279.698 3.730 10 0 CHAERN CC(C)c1ccc(COc2ccccc2CO)cc1 ZINC000020475740 171220113 /nfs/dbraw/zinc/22/01/13/171220113.db2.gz JSDTWAZMOBAJAF-UHFFFAOYSA-N 0 0 256.345 3.881 10 0 CHAERN Cc1cccc(C)c1Nc1ccccc1C(N)=S ZINC000020552652 171247753 /nfs/dbraw/zinc/24/77/53/171247753.db2.gz QINUWLYFOKBFCS-UHFFFAOYSA-N 0 0 256.374 3.681 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1cncc(Cl)n1 ZINC000020555654 171249836 /nfs/dbraw/zinc/24/98/36/171249836.db2.gz NLISVPPENUJPTC-SRVKXCTJSA-N 0 0 268.788 3.970 10 0 CHAERN COc1cccc(-c2nc3ccc(Cl)cc3c(=O)o2)c1 ZINC000021003872 171284986 /nfs/dbraw/zinc/28/49/86/171284986.db2.gz PCTUTKHQFKCSBP-UHFFFAOYSA-N 0 0 287.702 3.517 10 0 CHAERN Cc1ccc2nc(NC(=O)CSc3ccccc3)oc2c1 ZINC000021156196 171298470 /nfs/dbraw/zinc/29/84/70/171298470.db2.gz CZEUKVINEJVFGV-UHFFFAOYSA-N 0 0 298.367 3.867 10 0 CHAERN Cc1cc(C)n(C(=O)c2c(C)c(Cl)c(C)c(F)c2F)n1 ZINC000021266560 171300366 /nfs/dbraw/zinc/30/03/66/171300366.db2.gz MMUOVMPTJKSXOT-UHFFFAOYSA-N 0 0 298.720 3.737 10 0 CHAERN Cc1cccc(C)c1OCc1cc(C(N)=S)ccc1F ZINC000021500946 171305606 /nfs/dbraw/zinc/30/56/06/171305606.db2.gz MJZJDRXMGUJPHC-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN COC(=O)c1c(N)scc1-c1ccc(F)c(Cl)c1 ZINC000021513996 171311583 /nfs/dbraw/zinc/31/15/83/171311583.db2.gz KDDLILOQLXBQHJ-UHFFFAOYSA-N 0 0 285.727 3.576 10 0 CHAERN Cc1c(Cl)cccc1N1Cc2ccccc2C1=N ZINC000021517709 171314261 /nfs/dbraw/zinc/31/42/61/171314261.db2.gz SIGJIANKKIFKFN-UHFFFAOYSA-N 0 0 256.736 3.994 10 0 CHAERN CCOc1cc(C=O)cc(Cl)c1OCc1ccncc1 ZINC000021952193 171340305 /nfs/dbraw/zinc/34/03/05/171340305.db2.gz VQNYUFWKGNFELO-UHFFFAOYSA-N 0 0 291.734 3.525 10 0 CHAERN COC1=C(c2ccccc2)N(Cc2ccccc2)C(=O)CC1 ZINC000021990006 171346266 /nfs/dbraw/zinc/34/62/66/171346266.db2.gz ZLHVFFKCXSIGIE-UHFFFAOYSA-N 0 0 293.366 3.824 10 0 CHAERN Cc1cc(N)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000022142334 171355502 /nfs/dbraw/zinc/35/55/02/171355502.db2.gz UAPSNIVLUHSMIZ-UHFFFAOYSA-N 0 0 276.339 3.983 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1F ZINC000022144247 171355934 /nfs/dbraw/zinc/35/59/34/171355934.db2.gz TVSOSDRUYFCCFJ-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1cc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)c(C)o1 ZINC000022168579 171366893 /nfs/dbraw/zinc/36/68/93/171366893.db2.gz MUZQHOLWPYKWBH-UHFFFAOYSA-N 0 0 298.264 3.750 10 0 CHAERN Nc1cccnc1Oc1ccc(Cl)cc1Br ZINC000022213415 171374414 /nfs/dbraw/zinc/37/44/14/171374414.db2.gz BBOHLEHNQGJCKY-UHFFFAOYSA-N 0 0 299.555 3.872 10 0 CHAERN Nc1ccc(NC(=O)CCC2CCCC2)c(Cl)c1 ZINC000022214990 171375216 /nfs/dbraw/zinc/37/52/16/171375216.db2.gz RXKVKHFCKIZZLC-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN CCOc1ccccc1C(=O)Nc1ccc(N)cc1Cl ZINC000022221181 171378154 /nfs/dbraw/zinc/37/81/54/171378154.db2.gz OBSDQFJTVJLATP-UHFFFAOYSA-N 0 0 290.750 3.573 10 0 CHAERN O[C@@H](CNc1ccccc1F)c1ccc(Cl)cc1 ZINC000032114280 171707851 /nfs/dbraw/zinc/70/78/51/171707851.db2.gz WNKQPUVGFJVSCQ-AWEZNQCLSA-N 0 0 265.715 3.625 10 0 CHAERN O[C@H](CNc1ccc(F)cc1)c1ccccc1Cl ZINC000032114271 171707887 /nfs/dbraw/zinc/70/78/87/171707887.db2.gz HHKOTQWOAQLOMD-CQSZACIVSA-N 0 0 265.715 3.625 10 0 CHAERN Cc1cc(Cl)ccc1NCc1ccc2c(c1)OCO2 ZINC000032122035 171712583 /nfs/dbraw/zinc/71/25/83/171712583.db2.gz PWNBOAZYAPMXPU-UHFFFAOYSA-N 0 0 275.735 3.989 10 0 CHAERN O=Cc1cccn1C(c1ccccc1)c1ccccc1 ZINC000033508949 171809203 /nfs/dbraw/zinc/80/92/03/171809203.db2.gz XAVFQOZDXPJUTM-UHFFFAOYSA-N 0 0 261.324 3.938 10 0 CHAERN CC(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000034327632 171837148 /nfs/dbraw/zinc/83/71/48/171837148.db2.gz JPHRXDCUOPQYKE-UHFFFAOYSA-N 0 0 259.305 3.627 10 0 CHAERN Brc1c[nH]c2cccc(Br)c12 ZINC000034488191 171841552 /nfs/dbraw/zinc/84/15/52/171841552.db2.gz GEVLMNJXWWUCJQ-UHFFFAOYSA-N 0 0 274.943 3.693 10 0 CHAERN O=C(c1cc2cc(Cl)ccc2o1)c1cccnc1 ZINC000034972224 171908004 /nfs/dbraw/zinc/90/80/04/171908004.db2.gz RWMDZRUZYANNCW-UHFFFAOYSA-N 0 0 257.676 3.712 10 0 CHAERN C[C@@H]1CCCN(CC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000035021310 171940800 /nfs/dbraw/zinc/94/08/00/171940800.db2.gz YUDNXUWVRCJDRX-SNVBAGLBSA-N 0 0 286.202 3.908 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCc1cc(F)ccc1N ZINC000035057972 171961054 /nfs/dbraw/zinc/96/10/54/171961054.db2.gz XVARUEBMJNLLGI-XHDPSFHLSA-N 0 0 251.345 3.893 10 0 CHAERN Cc1ccccc1CN(C)C(=O)c1c[nH]c2ccccc12 ZINC000035134676 172001550 /nfs/dbraw/zinc/00/15/50/172001550.db2.gz LYNWTDBWCJYREJ-UHFFFAOYSA-N 0 0 278.355 3.749 10 0 CHAERN O=C(NC1CCCCCC1)c1cc2ccccc2cc1O ZINC000035151775 172015262 /nfs/dbraw/zinc/01/52/62/172015262.db2.gz QRFLADLJBIUQLG-UHFFFAOYSA-N 0 0 283.371 3.998 10 0 CHAERN CCc1cccc(NCC(=O)Nc2c(F)cccc2F)c1 ZINC000035159878 172018026 /nfs/dbraw/zinc/01/80/26/172018026.db2.gz GEPQFWGYMMWTNQ-UHFFFAOYSA-N 0 0 290.313 3.578 10 0 CHAERN C[C@H](NC(=O)c1cc2ccccc2cc1O)c1ccco1 ZINC000035161617 172021187 /nfs/dbraw/zinc/02/11/87/172021187.db2.gz IABZGRCXAOFSKY-NSHDSACASA-N 0 0 281.311 3.629 10 0 CHAERN CCCOc1ccc(OCc2nnsc2Cl)cc1 ZINC000035163617 172024751 /nfs/dbraw/zinc/02/47/51/172024751.db2.gz OXVDGUGHZZLLQZ-UHFFFAOYSA-N 0 0 284.768 3.559 10 0 CHAERN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)c1ccccc1 ZINC000035181725 172035519 /nfs/dbraw/zinc/03/55/19/172035519.db2.gz CJBVRGIKWBNRPN-ZDUSSCGKSA-N 0 0 266.340 3.826 10 0 CHAERN COc1cccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000035182807 172035973 /nfs/dbraw/zinc/03/59/73/172035973.db2.gz VAHLTOBFZIIYQJ-NSHDSACASA-N 0 0 290.746 3.999 10 0 CHAERN COc1ccc(O[C@@H](C)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000035184182 172037855 /nfs/dbraw/zinc/03/78/55/172037855.db2.gz YPELPJPUDTYMGX-JTQLQIEISA-N 0 0 292.281 3.624 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2cccc([C@H](C)O)c2)c1 ZINC000035188815 172043533 /nfs/dbraw/zinc/04/35/33/172043533.db2.gz ZYYKHKKOBZXLCL-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1cc(C(=O)Cn2c(C)nc3ccccc32)c(C)s1 ZINC000035230335 172070754 /nfs/dbraw/zinc/07/07/54/172070754.db2.gz LIQIIHLLZDZWMH-UHFFFAOYSA-N 0 0 284.384 3.906 10 0 CHAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1ccncc1 ZINC000035234494 172074855 /nfs/dbraw/zinc/07/48/55/172074855.db2.gz LZRCTQMEFNXKFS-SECBINFHSA-N 0 0 267.254 3.669 10 0 CHAERN Cc1ccc(NC(=O)Nc2cc(N)ccc2C)cc1 ZINC000035282655 172101324 /nfs/dbraw/zinc/10/13/24/172101324.db2.gz FHPXWEXKJBNKFW-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cc1ccccc1Oc1ccc(N)c2ncccc12 ZINC000035340893 172132807 /nfs/dbraw/zinc/13/28/07/172132807.db2.gz IIJGDOYTNWCJDP-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1c(F)cc(F)cc1F ZINC000035368883 172160120 /nfs/dbraw/zinc/16/01/20/172160120.db2.gz LMJBUCPEEJQAAG-UHFFFAOYSA-N 0 0 282.286 3.885 10 0 CHAERN Cc1ccc(C)c(Oc2nc3sccn3c2C=O)c1 ZINC000035428553 172196697 /nfs/dbraw/zinc/19/66/97/172196697.db2.gz DQLAEOQONIOPFZ-UHFFFAOYSA-N 0 0 272.329 3.617 10 0 CHAERN C[C@H](CCc1ccco1)Nc1c(F)cccc1F ZINC000035451935 172205389 /nfs/dbraw/zinc/20/53/89/172205389.db2.gz WWIZKSXZVPGPEZ-SNVBAGLBSA-N 0 0 251.276 3.991 10 0 CHAERN CCc1ccc([C@H](NC)C(F)(F)C(F)(F)F)s1 ZINC000035460583 172209435 /nfs/dbraw/zinc/20/94/35/172209435.db2.gz KBKMRJZOFYSDRR-QMMMGPOBSA-N 0 0 273.270 3.769 10 0 CHAERN CN[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000035501470 172235597 /nfs/dbraw/zinc/23/55/97/172235597.db2.gz ZCYQAYNNJQZQSX-QMMMGPOBSA-N 0 0 258.070 3.816 10 0 CHAERN CN[C@@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035501801 172236737 /nfs/dbraw/zinc/23/67/37/172236737.db2.gz RACNOQZKRBXMNZ-LBPRGKRZSA-N 0 0 256.132 3.895 10 0 CHAERN CCCN[C@H](c1ccc(OC)c(C)c1)C(F)(F)F ZINC000035586916 172286434 /nfs/dbraw/zinc/28/64/34/172286434.db2.gz HSJHMLFDMGFSPJ-GFCCVEGCSA-N 0 0 261.287 3.607 10 0 CHAERN C[C@@H](O)c1ccc(OC/C=C/c2ccccc2)cc1 ZINC000035626428 172305527 /nfs/dbraw/zinc/30/55/27/172305527.db2.gz ULUZNYLWJWREKL-LHRNQBEKSA-N 0 0 254.329 3.832 10 0 CHAERN CCN(Cc1ccccc1)c1ccc(F)cc1[C@@H](C)O ZINC000035631562 172313711 /nfs/dbraw/zinc/31/37/11/172313711.db2.gz BJOQWMIFDGDYFA-CYBMUJFWSA-N 0 0 273.351 3.906 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N(C)Cc1cccc(F)c1 ZINC000035631517 172313877 /nfs/dbraw/zinc/31/38/77/172313877.db2.gz KJXOCAGYLRQQBY-LLVKDONJSA-N 0 0 277.314 3.655 10 0 CHAERN C[C@@H](O)c1ccc(Oc2ccccc2F)c(F)c1 ZINC000035632189 172314965 /nfs/dbraw/zinc/31/49/65/172314965.db2.gz OUVUHZKJPSZLOO-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COc1cc(C)ccc1Oc1ccccc1[C@H](C)O ZINC000035650588 172326833 /nfs/dbraw/zinc/32/68/33/172326833.db2.gz SCOICHFAOZYLKW-LBPRGKRZSA-N 0 0 258.317 3.849 10 0 CHAERN CCOc1ccccc1Oc1ccccc1[C@@H](C)O ZINC000035650651 172327026 /nfs/dbraw/zinc/32/70/26/172327026.db2.gz QTTQFYLPMCLSCI-GFCCVEGCSA-N 0 0 258.317 3.931 10 0 CHAERN Nc1ccc(Nc2cc(Cl)cc(Cl)c2)c2nonc21 ZINC000035675540 172346163 /nfs/dbraw/zinc/34/61/63/172346163.db2.gz NZILLSAJRCKXKN-UHFFFAOYSA-N 0 0 295.129 3.855 10 0 CHAERN C[C@@H](c1ccncc1)n1c2ccccc2[nH]c1=S ZINC000035693991 172362885 /nfs/dbraw/zinc/36/28/85/172362885.db2.gz GRQOXZSBVZAVFR-JTQLQIEISA-N 0 0 255.346 3.703 10 0 CHAERN FC(F)(F)COc1cccc2c(Cl)ccnc12 ZINC000035731067 172381272 /nfs/dbraw/zinc/38/12/72/172381272.db2.gz JAOBVHKRWZGGDD-UHFFFAOYSA-N 0 0 261.630 3.829 10 0 CHAERN Cc1nc([C@H](C)N[C@H](C)c2ccco2)c(C)s1 ZINC000035738569 172391758 /nfs/dbraw/zinc/39/17/58/172391758.db2.gz BWCDTVLSVMMLFX-BDAKNGLRSA-N 0 0 250.367 3.765 10 0 CHAERN COC(=O)[C@@H](C)CNc1cc(C(F)(F)F)ccc1Cl ZINC000035757466 172397739 /nfs/dbraw/zinc/39/77/39/172397739.db2.gz ANMFWBNDDDSKSA-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN Fc1c(F)c(F)c(N[C@@H]2C[C@H]3CC[C@@H]2C3)c(F)c1F ZINC000035963701 172426056 /nfs/dbraw/zinc/42/60/56/172426056.db2.gz JDRCRZGGOQWWML-RRKCRQDMSA-N 0 0 277.236 3.983 10 0 CHAERN C/C(=C\c1ccccc1F)C(=O)NC1CCCCC1 ZINC000036172291 172491408 /nfs/dbraw/zinc/49/14/08/172491408.db2.gz IYOUAYDYWZTJCB-VAWYXSNFSA-N 0 0 261.340 3.678 10 0 CHAERN CCCN(CC1CC1)c1ccc(Br)cc1N ZINC000036197983 172510201 /nfs/dbraw/zinc/51/02/01/172510201.db2.gz NNLBQKJOSGSMFT-UHFFFAOYSA-N 0 0 283.213 3.658 10 0 CHAERN CCCCc1noc(N)c1-c1cccc(Cl)c1 ZINC000036936461 172816048 /nfs/dbraw/zinc/81/60/48/172816048.db2.gz REZHGJDYRDBCHR-UHFFFAOYSA-N 0 0 250.729 3.920 10 0 CHAERN CCOc1ccc(N)cc1COc1cccc(C)c1 ZINC000037065566 172929184 /nfs/dbraw/zinc/92/91/84/172929184.db2.gz IJHDTAXUADULHI-UHFFFAOYSA-N 0 0 257.333 3.555 10 0 CHAERN O=C([O-])C[C@@H]([NH2+]C1CCCCCCC1)c1cccs1 ZINC000037087891 172945156 /nfs/dbraw/zinc/94/51/56/172945156.db2.gz VULVRVFVHYTBSX-CYBMUJFWSA-N 0 0 281.421 3.966 10 0 CHAERN COc1ccc(N[C@H](C)c2ccccc2F)cc1O ZINC000037134779 172975472 /nfs/dbraw/zinc/97/54/72/172975472.db2.gz AYPQADGQGBHOBR-SNVBAGLBSA-N 0 0 261.296 3.713 10 0 CHAERN Nc1cnccc1SCc1ccc(F)cc1Cl ZINC000037190255 173019895 /nfs/dbraw/zinc/01/98/95/173019895.db2.gz SUJQMCNKWDZTJW-UHFFFAOYSA-N 0 0 268.744 3.749 10 0 CHAERN COc1ccc(Cl)cc1CSc1ccc(N)cn1 ZINC000037191501 173020215 /nfs/dbraw/zinc/02/02/15/173020215.db2.gz JZVTVZOXDZASRG-UHFFFAOYSA-N 0 0 280.780 3.618 10 0 CHAERN CCN(c1ccccc1C)c1ccc(F)cc1CO ZINC000037234234 173053253 /nfs/dbraw/zinc/05/32/53/173053253.db2.gz SVFDVZBZMMNNEB-UHFFFAOYSA-N 0 0 259.324 3.784 10 0 CHAERN Cc1ncsc1[C@@H](C)Nc1ccc(N(C)C)cc1C ZINC000037274248 173086580 /nfs/dbraw/zinc/08/65/80/173086580.db2.gz JQUDLYKDVDUASP-GFCCVEGCSA-N 0 0 275.421 3.999 10 0 CHAERN CCCC[C@@H](C)Nc1ccccc1CN(C)C(C)=O ZINC000037284334 173091834 /nfs/dbraw/zinc/09/18/34/173091834.db2.gz UJKIQYPZTYXYLT-CYBMUJFWSA-N 0 0 262.397 3.656 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1cccc(OC(F)F)c1 ZINC000037293319 173097745 /nfs/dbraw/zinc/09/77/45/173097745.db2.gz IIPVWOMUEDYAKK-QWHCGFSZSA-N 0 0 271.307 3.658 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1cccc(OC(F)F)c1 ZINC000037293322 173097961 /nfs/dbraw/zinc/09/79/61/173097961.db2.gz IIPVWOMUEDYAKK-OLZOCXBDSA-N 0 0 271.307 3.658 10 0 CHAERN CCOc1ncccc1NCc1ccc(C)c(C)c1 ZINC000037294174 173098598 /nfs/dbraw/zinc/09/85/98/173098598.db2.gz JHIKIKXKMBWIQU-UHFFFAOYSA-N 0 0 256.349 3.709 10 0 CHAERN C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)C1CCCCC1 ZINC000037295474 173099403 /nfs/dbraw/zinc/09/94/03/173099403.db2.gz AEUFMTVNCMYZSX-JTQLQIEISA-N 0 0 280.799 3.820 10 0 CHAERN CCc1ccccc1NCc1ccc2c(c1)OCO2 ZINC000037301944 173107335 /nfs/dbraw/zinc/10/73/35/173107335.db2.gz AXQZYTBOGAATRZ-UHFFFAOYSA-N 0 0 255.317 3.590 10 0 CHAERN CCc1ccc(-c2nn(CC(C)C)cc2C=O)cc1 ZINC000037327384 173128051 /nfs/dbraw/zinc/12/80/51/173128051.db2.gz SFJTXBDVOPRKDG-UHFFFAOYSA-N 0 0 256.349 3.581 10 0 CHAERN COc1ccc(COc2ccc(N)cc2Cl)cc1F ZINC000037336895 173137920 /nfs/dbraw/zinc/13/79/20/173137920.db2.gz VPPRNLFYDCTIPE-UHFFFAOYSA-N 0 0 281.714 3.649 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OCC(=O)c1ccc(F)cc1 ZINC000037342434 173142523 /nfs/dbraw/zinc/14/25/23/173142523.db2.gz BEUSCUNWNFWNGW-LRDDRELGSA-N 0 0 264.340 3.994 10 0 CHAERN CCOc1ccccc1C(=O)COC1CCCCC1 ZINC000037346234 173143390 /nfs/dbraw/zinc/14/33/90/173143390.db2.gz BUODXDUUXNRPKW-UHFFFAOYSA-N 0 0 262.349 3.617 10 0 CHAERN Cc1ccccc1-c1c(N)n(C)nc1-c1cccs1 ZINC000037351271 173144647 /nfs/dbraw/zinc/14/46/47/173144647.db2.gz BEAQXHIRIBYJCU-UHFFFAOYSA-N 0 0 269.373 3.706 10 0 CHAERN O=C(Cc1cccc(F)c1)c1cc(F)ccc1F ZINC000037354006 173147030 /nfs/dbraw/zinc/14/70/30/173147030.db2.gz DEAQJFIXYZASSP-UHFFFAOYSA-N 0 0 250.219 3.529 10 0 CHAERN CCOc1ccc(C(=O)c2ccc(C)c(C)c2)cc1 ZINC000037358308 173148340 /nfs/dbraw/zinc/14/83/40/173148340.db2.gz GJONSYHABJKMAD-UHFFFAOYSA-N 0 0 254.329 3.933 10 0 CHAERN O=C(c1cc2c(cc1Cl)OCCO2)C1CCCCC1 ZINC000037364540 173154160 /nfs/dbraw/zinc/15/41/60/173154160.db2.gz ZDCGUHFPIVZRGW-UHFFFAOYSA-N 0 0 280.751 3.874 10 0 CHAERN O=C1CCCSc2c(Br)cccc21 ZINC000037381334 173167765 /nfs/dbraw/zinc/16/77/65/173167765.db2.gz HKPLMJGLNGRPTK-UHFFFAOYSA-N 0 0 257.152 3.518 10 0 CHAERN CCC[C@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000037417221 173194747 /nfs/dbraw/zinc/19/47/47/173194747.db2.gz KYAOYSMHZMIUHZ-ZDUSSCGKSA-N 0 0 269.772 3.636 10 0 CHAERN C[C@](O)(c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037529222 173252443 /nfs/dbraw/zinc/25/24/43/173252443.db2.gz BRCAMNLCPYPPLN-AWEZNQCLSA-N 0 0 250.700 3.735 10 0 CHAERN CCC[C@@](O)(c1ccccc1)c1ccccc1OC ZINC000037529342 173252822 /nfs/dbraw/zinc/25/28/22/173252822.db2.gz LPCUASKQNFCRRL-QGZVFWFLSA-N 0 0 256.345 3.731 10 0 CHAERN COc1cccc([C@@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532396 173254065 /nfs/dbraw/zinc/25/40/65/173254065.db2.gz HGUBSVQGKZTZPJ-KRWDZBQOSA-N 0 0 256.345 3.900 10 0 CHAERN O[C@@H]1CCC[C@@H]1Oc1ccccc1-c1ccccc1 ZINC000037696292 173621857 /nfs/dbraw/zinc/62/18/57/173621857.db2.gz RQSQFIMYBRTYNG-WBVHZDCISA-N 0 0 254.329 3.646 10 0 CHAERN CC[C@@H](C)CNc1cccc(Cl)c1-n1cccn1 ZINC000037774975 173706913 /nfs/dbraw/zinc/70/69/13/173706913.db2.gz QYEGUFAYKURERB-LLVKDONJSA-N 0 0 263.772 3.984 10 0 CHAERN CCOc1ccc(Cl)cc1NCc1ccccn1 ZINC000037780858 173710796 /nfs/dbraw/zinc/71/07/96/173710796.db2.gz FDJYWCQQGHYYLX-UHFFFAOYSA-N 0 0 262.740 3.746 10 0 CHAERN CC(C)Oc1ccc([C@@H]([NH2+]C2CCCCC2)C(=O)[O-])cc1 ZINC000037971853 173922943 /nfs/dbraw/zinc/92/29/43/173922943.db2.gz KJVSIRAQUNWVHG-MRXNPFEDSA-N 0 0 291.391 3.522 10 0 CHAERN O=Cc1csc(-c2ccccc2OC(F)(F)F)n1 ZINC000037974097 173927755 /nfs/dbraw/zinc/92/77/55/173927755.db2.gz SXGWCQIGIUTMGE-UHFFFAOYSA-N 0 0 273.235 3.521 10 0 CHAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(F)cc1 ZINC000037980217 173939314 /nfs/dbraw/zinc/93/93/14/173939314.db2.gz NDZLJABXOAAMQY-VIFPVBQESA-N 0 0 289.272 3.629 10 0 CHAERN CCc1ccc([C@H](C)NCc2nccn2C(F)F)cc1 ZINC000037980687 173940262 /nfs/dbraw/zinc/94/02/62/173940262.db2.gz MMXSMONALPSBCQ-NSHDSACASA-N 0 0 279.334 3.691 10 0 CHAERN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(F)cc1 ZINC000037981244 173940860 /nfs/dbraw/zinc/94/08/60/173940860.db2.gz QHYSVQUKNDMWIE-VXGBXAGGSA-N 0 0 289.272 3.677 10 0 CHAERN Cc1csc(NCc2ccc(Br)s2)n1 ZINC000038018877 173994384 /nfs/dbraw/zinc/99/43/84/173994384.db2.gz IVYBFFOOIZROON-UHFFFAOYSA-N 0 0 289.223 3.888 10 0 CHAERN CC(C)CN(CC(C)C)c1c(F)cc(N)cc1F ZINC000038040178 174040518 /nfs/dbraw/zinc/04/05/18/174040518.db2.gz FCIADWGQCPRXLZ-UHFFFAOYSA-N 0 0 256.340 3.665 10 0 CHAERN COc1ccc(Cl)cc1COc1cccc(N)c1 ZINC000038054949 174066466 /nfs/dbraw/zinc/06/64/66/174066466.db2.gz DQMSSANBDPRUJK-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CC[C@H](C)NC1(C(=O)OC)CCC(C(C)(C)C)CC1 ZINC000038067023 174078462 /nfs/dbraw/zinc/07/84/62/174078462.db2.gz MNVNZIZGBCRBAC-FUJMWEONSA-N 0 0 269.429 3.523 10 0 CHAERN Cc1cc(C)cc(COc2ccccc2C(N)=S)c1 ZINC000038076819 174087539 /nfs/dbraw/zinc/08/75/39/174087539.db2.gz OQTLYLYAVDGLBT-UHFFFAOYSA-N 0 0 271.385 3.517 10 0 CHAERN Cc1cc(C)cc(C[C@](C)(O)c2ccccc2F)c1 ZINC000038077068 174087669 /nfs/dbraw/zinc/08/76/69/174087669.db2.gz MVARINVYJDKOQZ-KRWDZBQOSA-N 0 0 258.336 3.893 10 0 CHAERN COC(=O)c1sc(Oc2ccc(C)cc2)nc1Cl ZINC000038082183 174091111 /nfs/dbraw/zinc/09/11/11/174091111.db2.gz LEAXSCXOGPYMSW-UHFFFAOYSA-N 0 0 283.736 3.684 10 0 CHAERN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(O)cc2)s1 ZINC000038090066 174102974 /nfs/dbraw/zinc/10/29/74/174102974.db2.gz FYWMSRYOFPKTFY-NSHDSACASA-N 0 0 275.373 3.595 10 0 CHAERN COc1cc(Br)c(Br)cc1C ZINC000038337583 174139897 /nfs/dbraw/zinc/13/98/97/174139897.db2.gz IXYDVAIJLVMXMS-UHFFFAOYSA-N 0 0 279.959 3.529 10 0 CHAERN CNc1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000039119534 174163125 /nfs/dbraw/zinc/16/31/25/174163125.db2.gz VEJXEPSOOWFEQF-UHFFFAOYSA-N 0 0 265.312 3.810 10 0 CHAERN O=C1O[C@@H](c2ccccc2)[C@H]2c3ccsc3CCN12 ZINC000039136208 174164602 /nfs/dbraw/zinc/16/46/02/174164602.db2.gz XMZXCFPRPRNQAV-KGLIPLIRSA-N 0 0 271.341 3.539 10 0 CHAERN CCCOc1ccc2nc(-c3ccc(Cl)cc3)cn2n1 ZINC000039155470 174165150 /nfs/dbraw/zinc/16/51/50/174165150.db2.gz NOOWYAXZOIEDIN-UHFFFAOYSA-N 0 0 287.750 3.839 10 0 CHAERN O=Cc1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1 ZINC000039947679 174176285 /nfs/dbraw/zinc/17/62/85/174176285.db2.gz BRJXBZYWCGZPLX-UHFFFAOYSA-N 0 0 299.333 3.876 10 0 CHAERN Cc1ccc(Oc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000040179083 174203086 /nfs/dbraw/zinc/20/30/86/174203086.db2.gz FFIXLSMEVQJRGX-UHFFFAOYSA-N 0 0 269.344 3.926 10 0 CHAERN CCOCCn1c(Cc2ccccc2C)nc2ccccc21 ZINC000040226633 174208607 /nfs/dbraw/zinc/20/86/07/174208607.db2.gz CGPKDKWSOIKHOO-UHFFFAOYSA-N 0 0 294.398 3.972 10 0 CHAERN COCCn1c(Cc2ccccc2C)nc2ccccc21 ZINC000040226631 174208748 /nfs/dbraw/zinc/20/87/48/174208748.db2.gz SNXILACZPSPHLE-UHFFFAOYSA-N 0 0 280.371 3.582 10 0 CHAERN COCCn1c(COc2ccccc2C)nc2ccccc21 ZINC000040233899 174211383 /nfs/dbraw/zinc/21/13/83/174211383.db2.gz WCOMCSYGCQUXPW-UHFFFAOYSA-N 0 0 296.370 3.570 10 0 CHAERN O=C(c1ccc(Br)s1)c1cccc(F)c1 ZINC000040235885 174212265 /nfs/dbraw/zinc/21/22/65/174212265.db2.gz AZKPEYMAWAGNRM-UHFFFAOYSA-N 0 0 285.137 3.881 10 0 CHAERN CCOCCn1c2ccccc2nc1-c1ccccc1F ZINC000040250650 174216089 /nfs/dbraw/zinc/21/60/89/174216089.db2.gz YUAKFMVVHQMYQS-UHFFFAOYSA-N 0 0 284.334 3.879 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c(N)c1 ZINC000040354825 174245416 /nfs/dbraw/zinc/24/54/16/174245416.db2.gz AXLSLELXOPIEGI-LBPRGKRZSA-N 0 0 294.354 3.709 10 0 CHAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1ccccc1 ZINC000040354262 174245460 /nfs/dbraw/zinc/24/54/60/174245460.db2.gz MFTCMYRPALFGJQ-OAHLLOKOSA-N 0 0 269.344 3.618 10 0 CHAERN COc1ccc(CCn2c(C)nc3ccccc32)cc1OC ZINC000040389928 174252255 /nfs/dbraw/zinc/25/22/55/174252255.db2.gz PQJIFUWGUQQFSX-UHFFFAOYSA-N 0 0 296.370 3.605 10 0 CHAERN Clc1ncc(-c2ccc(Br)cc2)cn1 ZINC000040435057 174261206 /nfs/dbraw/zinc/26/12/06/174261206.db2.gz HUZUIPCKZHNORT-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN COc1sc(C2CCCCC2)nc1Br ZINC000040544447 174324202 /nfs/dbraw/zinc/32/42/02/174324202.db2.gz UVKWHKVNYGCISE-UHFFFAOYSA-N 0 0 276.199 3.962 10 0 CHAERN CCCNc1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703121 174378835 /nfs/dbraw/zinc/37/88/35/174378835.db2.gz YNFGQYQQJKPZKI-UHFFFAOYSA-N 0 0 291.786 3.586 10 0 CHAERN Cc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 ZINC000040964775 174440952 /nfs/dbraw/zinc/44/09/52/174440952.db2.gz LNWYBAVOVYOEQE-UHFFFAOYSA-N 0 0 269.373 3.645 10 0 CHAERN Cc1cccc(C(=O)Nc2ccnc3c(F)cccc23)c1 ZINC000041058119 174465264 /nfs/dbraw/zinc/46/52/64/174465264.db2.gz JYYFNNAWXPEYQR-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1ccccc1Cl ZINC000041307749 174516470 /nfs/dbraw/zinc/51/64/70/174516470.db2.gz AQIXVFWUVLUFKP-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN CCc1ccc(COc2ccccc2[C@@H](C)O)cc1 ZINC000041326756 174523228 /nfs/dbraw/zinc/52/32/28/174523228.db2.gz GCYOTHAPUIRGLI-CYBMUJFWSA-N 0 0 256.345 3.881 10 0 CHAERN Cc1cc(C)cc(OCCNc2cccc(F)c2)c1 ZINC000041344870 174527316 /nfs/dbraw/zinc/52/73/16/174527316.db2.gz OPRFIWCJVPYFKE-UHFFFAOYSA-N 0 0 259.324 3.933 10 0 CHAERN CCOc1ccccc1[C@H](O)Cc1ccccc1F ZINC000041347148 174528635 /nfs/dbraw/zinc/52/86/35/174528635.db2.gz QAGCVXVKAFQPAP-OAHLLOKOSA-N 0 0 260.308 3.501 10 0 CHAERN OC[C@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000041478536 174559359 /nfs/dbraw/zinc/55/93/59/174559359.db2.gz MAYONQUJVRFHKM-AWEZNQCLSA-N 0 0 291.188 3.768 10 0 CHAERN CC(C)N(CC1CC1)c1ccc(F)cc1[C@H](C)O ZINC000042586324 174808549 /nfs/dbraw/zinc/80/85/49/174808549.db2.gz ODLYKHKFUIMDJB-NSHDSACASA-N 0 0 251.345 3.504 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2N)s1 ZINC000042599503 174815629 /nfs/dbraw/zinc/81/56/29/174815629.db2.gz OHNKOLKMXWZZFI-VIFPVBQESA-N 0 0 250.342 3.951 10 0 CHAERN C[C@@H]1CCCC[C@@H]1N(C)c1cccc(Cl)c1CO ZINC000042608645 174821494 /nfs/dbraw/zinc/82/14/94/174821494.db2.gz DEDWEURYQVJMLB-RISCZKNCSA-N 0 0 267.800 3.847 10 0 CHAERN CC/C(=C\c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000042905836 174907590 /nfs/dbraw/zinc/90/75/90/174907590.db2.gz NPJIFHSXWCGXLX-VQHVLOKHSA-N 0 0 261.199 3.613 10 0 CHAERN CC/C(=C\c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000042905833 174907657 /nfs/dbraw/zinc/90/76/57/174907657.db2.gz KGDARIVZWDELPK-VQHVLOKHSA-N 0 0 261.199 3.613 10 0 CHAERN CCOC(=O)c1ncoc1-c1ccc(Cl)c(Cl)c1 ZINC000043304271 175003006 /nfs/dbraw/zinc/00/30/06/175003006.db2.gz WSYWAPBOVJRMHF-UHFFFAOYSA-N 0 0 286.114 3.825 10 0 CHAERN C[C@H](O)c1cccc(OCc2cc(F)ccc2F)c1 ZINC000043458896 175050668 /nfs/dbraw/zinc/05/06/68/175050668.db2.gz VNCSBMNRIYKVAO-JTQLQIEISA-N 0 0 264.271 3.597 10 0 CHAERN O[C@H](CCCCCc1nc2ccccc2[nH]1)C(F)(F)F ZINC000043463843 175052640 /nfs/dbraw/zinc/05/26/40/175052640.db2.gz NYUGBUKQPFQIQM-GFCCVEGCSA-N 0 0 286.297 3.589 10 0 CHAERN Fc1cccc(-c2nc(Br)cs2)c1 ZINC000044119642 175142842 /nfs/dbraw/zinc/14/28/42/175142842.db2.gz JRAZPVJSVVGPEA-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN COc1ccc(-c2cccc(Br)n2)cc1 ZINC000044120215 175143004 /nfs/dbraw/zinc/14/30/04/175143004.db2.gz GBHNQKHQOCSREW-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN Cc1cc(Cl)nc(-c2ccc(Cl)c(F)c2)n1 ZINC000044419248 175173954 /nfs/dbraw/zinc/17/39/54/175173954.db2.gz YHEFAAKYNAMLOX-UHFFFAOYSA-N 0 0 257.095 3.898 10 0 CHAERN CCC[C@H](O)CCc1sccc1Br ZINC000044471023 175177535 /nfs/dbraw/zinc/17/75/35/175177535.db2.gz VSJDCMCGNGAXBE-QMMMGPOBSA-N 0 0 263.200 3.604 10 0 CHAERN C[C@@H](Oc1ccccc1Cl)C(=O)c1ccccc1 ZINC000048102247 175419873 /nfs/dbraw/zinc/41/98/73/175419873.db2.gz IRBYISVLTXMAFC-LLVKDONJSA-N 0 0 260.720 3.990 10 0 CHAERN O[C@H](CCSc1ccccc1)c1cccs1 ZINC000058826576 175629151 /nfs/dbraw/zinc/62/91/51/175629151.db2.gz AGUOBGVIKQWMFE-GFCCVEGCSA-N 0 0 250.388 3.964 10 0 CHAERN COC(=O)c1cc(-c2cc(O)cc(F)c2)ccc1Cl ZINC000065341188 175710596 /nfs/dbraw/zinc/71/05/96/175710596.db2.gz JCFGILZDGBFELU-UHFFFAOYSA-N 0 0 280.682 3.638 10 0 CHAERN COc1ccc(C(F)(F)F)cc1-c1cccc(C=O)c1O ZINC000065342169 175711967 /nfs/dbraw/zinc/71/19/67/175711967.db2.gz ODHOKHQLJQKICF-UHFFFAOYSA-N 0 0 296.244 3.899 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Cl)cc2N)s1 ZINC000070671324 176000570 /nfs/dbraw/zinc/00/05/70/176000570.db2.gz SKFOOWLLCHCIJH-UHFFFAOYSA-N 0 0 251.738 3.523 10 0 CHAERN CC(=O)c1csc(-c2ccccc2Br)n1 ZINC000070848317 176008902 /nfs/dbraw/zinc/00/89/02/176008902.db2.gz RJECZSMPRGCNAR-UHFFFAOYSA-N 0 0 282.162 3.775 10 0 CHAERN Cc1noc(C)c1-c1ccc(Br)s1 ZINC000071261326 176096172 /nfs/dbraw/zinc/09/61/72/176096172.db2.gz PGUZGGGEKUQCNQ-UHFFFAOYSA-N 0 0 258.140 3.782 10 0 CHAERN CC(C)c1cc(C(C)C)nc(-c2cccc(N)c2)n1 ZINC000071398138 176151818 /nfs/dbraw/zinc/15/18/18/176151818.db2.gz AJPZPADHMUXPLM-UHFFFAOYSA-N 0 0 255.365 3.973 10 0 CHAERN Cc1ccc(C)c(COc2ccc(C)cc2CO)c1 ZINC000071409595 176156676 /nfs/dbraw/zinc/15/66/76/176156676.db2.gz MPVGMGZVVQPAND-UHFFFAOYSA-N 0 0 256.345 3.683 10 0 CHAERN Cc1ccncc1N[C@@H](C)CCc1ccc(O)cc1 ZINC000071413434 176158588 /nfs/dbraw/zinc/15/85/88/176158588.db2.gz NESGPJSDGIWWIE-ZDUSSCGKSA-N 0 0 256.349 3.529 10 0 CHAERN OCc1c(Cl)[nH]c2cc(Cl)c(Cl)cc21 ZINC000071466250 176182407 /nfs/dbraw/zinc/18/24/07/176182407.db2.gz MLFFULPHOPUPOM-UHFFFAOYSA-N 0 0 250.512 3.620 10 0 CHAERN COc1c(Br)ccc2c(C)cccc21 ZINC000071477619 176187719 /nfs/dbraw/zinc/18/77/19/176187719.db2.gz URXVHBZCMCRHPF-UHFFFAOYSA-N 0 0 251.123 3.919 10 0 CHAERN Brc1ccc([C@H]2CCCOCC2)cc1 ZINC000071491523 176190424 /nfs/dbraw/zinc/19/04/24/176190424.db2.gz BELWHZBGUAKPIV-JTQLQIEISA-N 0 0 255.155 3.733 10 0 CHAERN Fc1ccc(I)c2ccccc12 ZINC000071606919 176230662 /nfs/dbraw/zinc/23/06/62/176230662.db2.gz BKXQUMOQBPPDMT-UHFFFAOYSA-N 0 0 272.060 3.584 10 0 CHAERN COc1ccc(-c2scnc2Br)cc1 ZINC000072192329 176336701 /nfs/dbraw/zinc/33/67/01/176336701.db2.gz WFVOYWDDKOYURL-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN COc1ccccc1-c1scnc1Br ZINC000072192327 176336807 /nfs/dbraw/zinc/33/68/07/176336807.db2.gz FAPPXPFSEINAGJ-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN Clc1ccc(-c2ncc(Br)s2)nc1 ZINC000072204279 176341936 /nfs/dbraw/zinc/34/19/36/176341936.db2.gz ADVNCJNUSHPYON-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN O[C@H]1CCCc2[nH]nc(-c3cccc4ccccc43)c21 ZINC000072415176 176399759 /nfs/dbraw/zinc/39/97/59/176399759.db2.gz KCCNCKLWOGNCQS-HNNXBMFYSA-N 0 0 264.328 3.600 10 0 CHAERN COC(=O)c1ccc2c(c1)nc(C1CC1)n2-c1ccccc1 ZINC000075974574 176850548 /nfs/dbraw/zinc/85/05/48/176850548.db2.gz QCWZVAKCEPGASF-UHFFFAOYSA-N 0 0 292.338 3.690 10 0 CHAERN Cc1cccc(N(C)c2ncc(N)cc2Br)c1 ZINC000076539650 177035567 /nfs/dbraw/zinc/03/55/67/177035567.db2.gz UMNNVNLTYGUEDL-UHFFFAOYSA-N 0 0 292.180 3.503 10 0 CHAERN COc1cc2c(cc1OC)NC1(CN2)CCCCCC1 ZINC000076860914 177124673 /nfs/dbraw/zinc/12/46/73/177124673.db2.gz DBZMETBPWGGVTG-UHFFFAOYSA-N 0 0 276.380 3.634 10 0 CHAERN Cc1oc(C)c(-c2n[nH]c(=S)n2C(C)C)c1C ZINC000077088689 177212348 /nfs/dbraw/zinc/21/23/48/177212348.db2.gz STZZHCKNLVXRRE-UHFFFAOYSA-N 0 0 251.355 3.707 10 0 CHAERN FC1(F)CCCC[C@H]1c1nc([C@H]2CCCS2)no1 ZINC000334667690 225238240 /nfs/dbraw/zinc/23/82/40/225238240.db2.gz MTCNZATVONXJER-DTWKUNHWSA-N 0 0 274.336 3.931 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000334983989 225386290 /nfs/dbraw/zinc/38/62/90/225386290.db2.gz FXPROWYHTDDQMO-TXEJJXNPSA-N 0 0 293.798 3.697 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1ccccc1Cl ZINC000171678257 335074171 /nfs/dbraw/zinc/07/41/71/335074171.db2.gz YWWNBWWESDDRJY-SNVBAGLBSA-N 0 0 296.827 3.902 10 0 CHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccccc1Cl ZINC000171727148 335076069 /nfs/dbraw/zinc/07/60/69/335076069.db2.gz IBGDXBHGEYFMGT-QWRGUYRKSA-N 0 0 298.839 3.548 10 0 CHAERN COC1CCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000301362097 227519589 /nfs/dbraw/zinc/51/95/89/227519589.db2.gz QQPOJDGWLDJYHL-UHFFFAOYSA-N 0 0 294.757 3.643 10 0 CHAERN COCC[C@@H](Nc1nnc(C)s1)c1ccc(Cl)cc1 ZINC000301659735 227629566 /nfs/dbraw/zinc/62/95/66/227629566.db2.gz TYAIDDQPFKWITP-GFCCVEGCSA-N 0 0 297.811 3.690 10 0 CHAERN NC(=O)[C@H]1CCC[C@H](c2nc(CC3=CCCCC3)no2)C1 ZINC000329762591 227941385 /nfs/dbraw/zinc/94/13/85/227941385.db2.gz SVNIQDMQTZNHIO-STQMWFEESA-N 0 0 289.379 3.922 10 0 CHAERN Cc1nnc(N[C@@H]2CC[C@H](C)c3ccccc32)nc1C ZINC000330057854 228027965 /nfs/dbraw/zinc/02/79/65/228027965.db2.gz YDDYCNONFAENJM-ZUZCIYMTSA-N 0 0 268.364 3.539 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccoc2Cl)cc1F ZINC000192397653 228076450 /nfs/dbraw/zinc/07/64/50/228076450.db2.gz SUZSRLXLXHDSAF-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000336184060 228208391 /nfs/dbraw/zinc/20/83/91/228208391.db2.gz ZZXJEUCWRAUQNU-ZWNOBZJWSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1n[nH]c(C)c1[C@H](C)c1nc(C(C)(C)C2CCC2)no1 ZINC000333268907 228195404 /nfs/dbraw/zinc/19/54/04/228195404.db2.gz VRDCUJWPGLENGB-VIFPVBQESA-N 0 0 288.395 3.639 10 0 CHAERN C[C@@H]1CCC[C@H]1c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000333720169 228211270 /nfs/dbraw/zinc/21/12/70/228211270.db2.gz NUCCCOOQOUZMOT-ZYHUDNBSSA-N 0 0 296.330 3.690 10 0 CHAERN Cc1ccc([C@H](C)NCc2csc(-c3ccccn3)n2)o1 ZINC000035054631 260006860 /nfs/dbraw/zinc/00/68/60/260006860.db2.gz UCOLBJYNPUQNBB-LBPRGKRZSA-N 0 0 299.399 3.957 10 0 CHAERN COCc1ccccc1NCc1c[nH]nc1-c1cccs1 ZINC000037275048 260079293 /nfs/dbraw/zinc/07/92/93/260079293.db2.gz AQOANBWISNWSOX-UHFFFAOYSA-N 0 0 299.399 3.897 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3C2)CC(C)(C)C1 ZINC000180092984 260092559 /nfs/dbraw/zinc/09/25/59/260092559.db2.gz AIXGQRRPJREEIG-CZUORRHYSA-N 0 0 271.404 3.991 10 0 CHAERN CC(C)N(C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)C1CCOCC1 ZINC000180693096 260108693 /nfs/dbraw/zinc/10/86/93/260108693.db2.gz WSPLVKKAXKVGRD-LSDHHAIUSA-N 0 0 295.467 3.865 10 0 CHAERN CC[C@H](Nc1cccc(Cn2cncn2)c1)c1cccs1 ZINC000037785215 260118070 /nfs/dbraw/zinc/11/80/70/260118070.db2.gz AMFLPYKTJVDBED-HNNXBMFYSA-N 0 0 298.415 3.951 10 0 CHAERN c1ccc2sc(N[C@H]3COc4ccccc43)nc2c1 ZINC000070199007 260153919 /nfs/dbraw/zinc/15/39/19/260153919.db2.gz YWHQIUPIPFNGHJ-LBPRGKRZSA-N 0 0 268.341 3.842 10 0 CHAERN CC[C@H](NCc1ccc2ccccc2n1)c1nccs1 ZINC000078004535 260167918 /nfs/dbraw/zinc/16/79/18/260167918.db2.gz RXPLBMNIJRVMKS-AWEZNQCLSA-N 0 0 283.400 3.932 10 0 CHAERN CCOc1ccccc1[C@H](C)N[C@H](C)c1nccs1 ZINC000080265315 260179331 /nfs/dbraw/zinc/17/93/31/260179331.db2.gz ADQMPPQOBIMWKL-NWDGAFQWSA-N 0 0 276.405 3.954 10 0 CHAERN Cc1nc(C(=O)N[C@H]2c3ccccc3CCC2(C)C)c(C)o1 ZINC000408029078 260183960 /nfs/dbraw/zinc/18/39/60/260183960.db2.gz BBJBMQVBXOUAPG-INIZCTEOSA-N 0 0 298.386 3.735 10 0 CHAERN CNC(=O)c1ccc(C)c(NCC2CCCCCC2)c1 ZINC000089559057 260187961 /nfs/dbraw/zinc/18/79/61/260187961.db2.gz DBVHTPOKLTUMDK-UHFFFAOYSA-N 0 0 274.408 3.737 10 0 CHAERN CC1CCC(CNc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000089576110 260188431 /nfs/dbraw/zinc/18/84/31/260188431.db2.gz ZQDDKYWLXNFDNW-UHFFFAOYSA-N 0 0 272.392 3.810 10 0 CHAERN Cc1ccc(Br)cc1C(=O)N[C@@H](C)C(C)C ZINC000087743263 260224046 /nfs/dbraw/zinc/22/40/46/260224046.db2.gz OQLDOMBHOYYJKQ-JTQLQIEISA-N 0 0 284.197 3.532 10 0 CHAERN CCc1ccsc1CNc1nccc(C(F)(F)F)n1 ZINC000088290690 260231128 /nfs/dbraw/zinc/23/11/28/260231128.db2.gz GHWAOGUVTULANH-UHFFFAOYSA-N 0 0 287.310 3.731 10 0 CHAERN CCCn1ccc(CNc2ccccc2COC)c1 ZINC000091010404 260264744 /nfs/dbraw/zinc/26/47/44/260264744.db2.gz UNVRUKBTONRMMJ-UHFFFAOYSA-N 0 0 258.365 3.657 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000408161708 260334451 /nfs/dbraw/zinc/33/44/51/260334451.db2.gz PAPWFJKVIBLNKM-WCFLWFBJSA-N 0 0 278.396 3.623 10 0 CHAERN Cc1ccc(F)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000129011311 260380314 /nfs/dbraw/zinc/38/03/14/260380314.db2.gz YFDIOIAEHCQQLQ-INIZCTEOSA-N 0 0 271.335 3.748 10 0 CHAERN Cc1cc2c(N[C@H](C)c3ccc(Cl)s3)nccn2n1 ZINC000129283481 260385471 /nfs/dbraw/zinc/38/54/71/260385471.db2.gz DADGIKGDPAITNO-SECBINFHSA-N 0 0 292.795 3.926 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1cn(C)nc1C(C)(C)C ZINC000092234380 260491611 /nfs/dbraw/zinc/49/16/11/260491611.db2.gz BBDYTZIUBRIEBS-ZDUSSCGKSA-N 0 0 299.418 3.517 10 0 CHAERN CC(C)=CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151687118 261054199 /nfs/dbraw/zinc/05/41/99/261054199.db2.gz UTUIEEHEMPLZHK-HNNXBMFYSA-N 0 0 285.387 3.905 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C2CCC(F)(F)CC2)o1 ZINC000153139080 261074027 /nfs/dbraw/zinc/07/40/27/261074027.db2.gz PQDRNYGBAUOZAI-SNVBAGLBSA-N 0 0 271.307 3.591 10 0 CHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000153918538 261084895 /nfs/dbraw/zinc/08/48/95/261084895.db2.gz YDWQQQSZTLBSIS-WCQYABFASA-N 0 0 279.380 3.551 10 0 CHAERN C[C@@H](c1cc(F)ccc1F)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173652201 261167555 /nfs/dbraw/zinc/16/75/55/261167555.db2.gz DTTXEXWXOWXFFX-MEDUHNTESA-N 0 0 291.345 3.596 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC2(CCC2)C1 ZINC000158658623 261168884 /nfs/dbraw/zinc/16/88/84/261168884.db2.gz FCBUZFZYHNOUED-AWEZNQCLSA-N 0 0 272.392 3.642 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2c(F)cc(F)cc2F)o1 ZINC000174278857 261183499 /nfs/dbraw/zinc/18/34/99/261183499.db2.gz WLDPIRYRPOVESN-MRVPVSSYSA-N 0 0 298.264 3.888 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000175327707 261219582 /nfs/dbraw/zinc/21/95/82/261219582.db2.gz NEBVIHWGGCBTSV-SQWLQELKSA-N 0 0 274.408 3.619 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000175327736 261219907 /nfs/dbraw/zinc/21/99/07/261219907.db2.gz NEBVIHWGGCBTSV-LZWOXQAQSA-N 0 0 274.408 3.619 10 0 CHAERN C[C@H](N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1(C)CC1 ZINC000175606182 261236965 /nfs/dbraw/zinc/23/69/65/261236965.db2.gz KXVJYPNYQLTBGX-CYZMBNFOSA-N 0 0 293.357 3.715 10 0 CHAERN COC(=O)c1cnc(/C=C/c2cc3ccccc3o2)s1 ZINC000102598877 261267670 /nfs/dbraw/zinc/26/76/70/261267670.db2.gz AUGQMYJBJBSUTL-VOTSOKGWSA-N 0 0 285.324 3.846 10 0 CHAERN CCSc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000103516523 261282798 /nfs/dbraw/zinc/28/27/98/261282798.db2.gz LEMGZPPTGDAHTK-MJVIPROJSA-N 0 0 278.421 3.567 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)CC[C@H]2CCOC2)cc1 ZINC000176525017 261293112 /nfs/dbraw/zinc/29/31/12/261293112.db2.gz QOLCUVFBOFEVAC-GJZGRUSLSA-N 0 0 289.419 3.804 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)CC[C@H]2CCOC2)cc1 ZINC000176525003 261293211 /nfs/dbraw/zinc/29/32/11/261293211.db2.gz QOLCUVFBOFEVAC-CABCVRRESA-N 0 0 289.419 3.804 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)c2ccoc2)c2ccccc21 ZINC000162776327 261293572 /nfs/dbraw/zinc/29/35/72/261293572.db2.gz TUOQENIMBDXKIF-IAQYHMDHSA-N 0 0 255.317 3.648 10 0 CHAERN COCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)o1 ZINC000104420963 261294122 /nfs/dbraw/zinc/29/41/22/261294122.db2.gz JTFQWGUIYWZBTH-KRWDZBQOSA-N 0 0 299.370 3.697 10 0 CHAERN FC(F)(F)[C@H]1CCC[C@H](Nc2ncnc3ncccc32)C1 ZINC000163061249 261304342 /nfs/dbraw/zinc/30/43/42/261304342.db2.gz CKKROACJWNJZJG-UWVGGRQHSA-N 0 0 296.296 3.558 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)c(F)cc2F)o1 ZINC000105047183 261306680 /nfs/dbraw/zinc/30/66/80/261306680.db2.gz AYRROGAKGFZWIY-MRVPVSSYSA-N 0 0 298.264 3.888 10 0 CHAERN CCOc1cc(C)ccc1NCc1nc(-c2ccoc2)no1 ZINC000105606867 261311756 /nfs/dbraw/zinc/31/17/56/261311756.db2.gz ZZWVETGQZOZCSM-UHFFFAOYSA-N 0 0 299.330 3.649 10 0 CHAERN Cc1cc(C)cc(CS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000105524545 261312132 /nfs/dbraw/zinc/31/21/32/261312132.db2.gz VLNLIKKDLUDQCT-UHFFFAOYSA-N 0 0 296.338 3.556 10 0 CHAERN Nc1nc(CSCc2ccccc2F)nc2ccccc12 ZINC000105624431 261314084 /nfs/dbraw/zinc/31/40/84/261314084.db2.gz KZZXCEXPLZCYKG-UHFFFAOYSA-N 0 0 299.374 3.785 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1ccc(F)c(F)c1 ZINC000176900140 261317871 /nfs/dbraw/zinc/31/78/71/261317871.db2.gz YOJCTGCDUMVMRU-SECBINFHSA-N 0 0 298.362 3.527 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1ccc(F)c(F)c1 ZINC000176900131 261318191 /nfs/dbraw/zinc/31/81/91/261318191.db2.gz YOJCTGCDUMVMRU-VIFPVBQESA-N 0 0 298.362 3.527 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C2CC2)o1 ZINC000177450044 261355883 /nfs/dbraw/zinc/35/58/83/261355883.db2.gz KPFMVUDCVNSXMV-ILXRZTDVSA-N 0 0 273.376 3.688 10 0 CHAERN COc1ccc(N[C@H](C)c2cncs2)cc1Cl ZINC000164973452 261362507 /nfs/dbraw/zinc/36/25/07/261362507.db2.gz VPBRFOICNMXJIE-MRVPVSSYSA-N 0 0 268.769 3.978 10 0 CHAERN C[C@H](Nc1cccc(OC(F)F)c1)c1cncs1 ZINC000165058498 261364121 /nfs/dbraw/zinc/36/41/21/261364121.db2.gz GINRHNYRPSBGDE-QMMMGPOBSA-N 0 0 270.304 3.918 10 0 CHAERN C[C@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)C(C)(C)C ZINC000108721282 261388147 /nfs/dbraw/zinc/38/81/47/261388147.db2.gz QPTPRMBECFONAH-NEPJUHHUSA-N 0 0 287.407 3.812 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000171290340 261461248 /nfs/dbraw/zinc/46/12/48/261461248.db2.gz ITZXRNRRNZNKPS-LBPRGKRZSA-N 0 0 278.371 3.544 10 0 CHAERN C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)CCS1 ZINC000171576989 261471196 /nfs/dbraw/zinc/47/11/96/261471196.db2.gz YUVDYDWQULDKTN-VIFPVBQESA-N 0 0 295.791 3.664 10 0 CHAERN C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCS1 ZINC000171580297 261472307 /nfs/dbraw/zinc/47/23/07/261472307.db2.gz KMYVPZSYKDWYIG-QMMMGPOBSA-N 0 0 290.215 3.571 10 0 CHAERN Cc1ncsc1CN(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172840335 261513571 /nfs/dbraw/zinc/51/35/71/261513571.db2.gz WMHLQMIXVALQSG-ZIAGYGMSSA-N 0 0 292.448 3.626 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(C)on2)o1 ZINC000173647984 261540831 /nfs/dbraw/zinc/54/08/31/261540831.db2.gz HAORXOSKZXQNJH-GFCCVEGCSA-N 0 0 289.335 3.644 10 0 CHAERN Cc1cccc([C@H](C)OC(=O)[C@H](C)c2cccnc2)c1 ZINC000174040891 261555166 /nfs/dbraw/zinc/55/51/66/261555166.db2.gz VQOKHELCVKDAEF-KGLIPLIRSA-N 0 0 269.344 3.798 10 0 CHAERN O=C(Nc1ccccc1)N1CCCC[C@@H]1c1nccs1 ZINC000176245928 261644706 /nfs/dbraw/zinc/64/47/06/261644706.db2.gz ZDCSRGAQYFQALZ-CYBMUJFWSA-N 0 0 287.388 3.902 10 0 CHAERN CCn1ccnc1COc1cccc(C(F)(F)F)c1 ZINC000106435503 261843056 /nfs/dbraw/zinc/84/30/56/261843056.db2.gz AXSCVXGRKQVXNG-UHFFFAOYSA-N 0 0 270.254 3.501 10 0 CHAERN C[C@@H](NC(=O)N1CCCC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000188139045 261850902 /nfs/dbraw/zinc/85/09/02/261850902.db2.gz AFMVMIAPKHKMFT-VXGBXAGGSA-N 0 0 296.361 3.857 10 0 CHAERN Cc1cccc(C)c1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180606114 261867781 /nfs/dbraw/zinc/86/77/81/261867781.db2.gz KFKFZWIWFPEMLQ-OAHLLOKOSA-N 0 0 298.390 3.786 10 0 CHAERN C/C(=C\C(C)(C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184906805 262033232 /nfs/dbraw/zinc/03/32/32/262033232.db2.gz QKXHUJFKFAFXCI-GCZGRYASSA-N 0 0 273.376 3.619 10 0 CHAERN CCCCCCNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186067381 262078213 /nfs/dbraw/zinc/07/82/13/262078213.db2.gz RJTLUQUIMNZMDI-AWEZNQCLSA-N 0 0 295.452 3.878 10 0 CHAERN CC[C@@H](C)[C@@H](N)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000055270134 262342533 /nfs/dbraw/zinc/34/25/33/262342533.db2.gz SHYLWSXMDOETQW-ZJWDHLRQSA-N 0 0 289.423 3.583 10 0 CHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000055274566 262344410 /nfs/dbraw/zinc/34/44/10/262344410.db2.gz OQTRPOVHSBAOLV-RYUDHWBXSA-N 0 0 271.282 3.538 10 0 CHAERN CCc1ccccc1CSCc1nnc(C(C)C)n1C ZINC000187512127 263261170 /nfs/dbraw/zinc/26/11/70/263261170.db2.gz KOXQMYVWUALILB-UHFFFAOYSA-N 0 0 289.448 3.934 10 0 CHAERN Cc1nc(Cl)cc(N2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000052836332 264122193 /nfs/dbraw/zinc/12/21/93/264122193.db2.gz ROAJLBNFFXGLPT-NEPJUHHUSA-N 0 0 265.788 3.597 10 0 CHAERN C[C@@H]1CC(c2noc(C3CCOCC3)n2)C[C@@H](C)C1 ZINC000335803824 265210658 /nfs/dbraw/zinc/21/06/58/265210658.db2.gz PXIRWTADZQRDOH-QWRGUYRKSA-N 0 0 264.369 3.503 10 0 CHAERN CC1(C)CCCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000335828697 265219452 /nfs/dbraw/zinc/21/94/52/265219452.db2.gz AOSDJGYQEGZOCK-QWRGUYRKSA-N 0 0 250.342 3.605 10 0 CHAERN C[C@H](O)[C@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000094654908 265248789 /nfs/dbraw/zinc/24/87/89/265248789.db2.gz HBXUUWIGDZFOJN-UWVGGRQHSA-N 0 0 250.725 3.641 10 0 CHAERN CCCC(CCC)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000212252482 265379316 /nfs/dbraw/zinc/37/93/16/265379316.db2.gz XZXLLJVDQCNIJH-BBWFWOEESA-N 0 0 295.467 3.745 10 0 CHAERN C[C@@H]1CC[C@@](O)(c2ccc(Br)cc2)CS1 ZINC000521400972 265438936 /nfs/dbraw/zinc/43/89/36/265438936.db2.gz DKFFGPBOVIOPLN-SKDRFNHKSA-N 0 0 287.222 3.552 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1cccc(F)c1F ZINC000087001299 266029436 /nfs/dbraw/zinc/02/94/36/266029436.db2.gz RLNKIGXZRPVAMF-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccncc1 ZINC000114517007 266392893 /nfs/dbraw/zinc/39/28/93/266392893.db2.gz FSJSGNHJOREXFE-YJBOKZPZSA-N 0 0 299.418 3.675 10 0 CHAERN O=C([C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116045549 267120885 /nfs/dbraw/zinc/12/08/85/267120885.db2.gz USKBJVVKTBRKCE-CABCVRRESA-N 0 0 297.354 3.509 10 0 CHAERN Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116046622 267120914 /nfs/dbraw/zinc/12/09/14/267120914.db2.gz YQDWPEXDDAGJTM-GDBMZVCRSA-N 0 0 299.370 3.719 10 0 CHAERN O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116049371 267121306 /nfs/dbraw/zinc/12/13/06/267121306.db2.gz NWTJHWJNTWLPNO-XVJNWHFHSA-N 0 0 285.318 3.796 10 0 CHAERN Cc1cc(N2CCC[C@H]2c2ccco2)nc(C2CC2)n1 ZINC000116262954 267134864 /nfs/dbraw/zinc/13/48/64/267134864.db2.gz WAYDNHUAEJGRNE-ZDUSSCGKSA-N 0 0 269.348 3.597 10 0 CHAERN CCC(CC)NC(=O)N1CC=C(c2cccs2)CC1 ZINC000117956071 267230260 /nfs/dbraw/zinc/23/02/60/267230260.db2.gz GIYGQOJUQMMSAI-UHFFFAOYSA-N 0 0 278.421 3.735 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Cc2cnc3ccccc3c2)o1 ZINC000118762495 267267998 /nfs/dbraw/zinc/26/79/98/267267998.db2.gz XCPRSWDWLUXBDW-CYBMUJFWSA-N 0 0 294.354 3.556 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc3ncccc3c2)o1 ZINC000120917730 267529170 /nfs/dbraw/zinc/52/91/70/267529170.db2.gz MWXAUSHWAAYWHM-LBPRGKRZSA-N 0 0 280.327 3.627 10 0 CHAERN FC1(F)CC[C@H](c2noc([C@@H]3C[C@@H]3c3cccnc3)n2)C1 ZINC000374084154 267743726 /nfs/dbraw/zinc/74/37/26/267743726.db2.gz OLVYXTSYOYRLOX-MVWJERBFSA-N 0 0 291.301 3.639 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000123312347 268035153 /nfs/dbraw/zinc/03/51/53/268035153.db2.gz ATZFEBMTKSCPDV-MRXNPFEDSA-N 0 0 282.387 3.767 10 0 CHAERN Cc1c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cnn1C ZINC000123465243 268055001 /nfs/dbraw/zinc/05/50/01/268055001.db2.gz YFQWDBJZJFMGDP-GFCCVEGCSA-N 0 0 299.418 3.517 10 0 CHAERN CSc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)ccc1F ZINC000157782456 328011216 /nfs/dbraw/zinc/01/12/16/328011216.db2.gz BHHSRMGNSUPWOM-JTQLQIEISA-N 0 0 293.363 3.940 10 0 CHAERN C[C@H](NC(=O)Nc1cccnn1)c1ccc(C(C)(C)C)cc1 ZINC000152083094 328060544 /nfs/dbraw/zinc/06/05/44/328060544.db2.gz SXIREDFAXGSPGQ-LBPRGKRZSA-N 0 0 298.390 3.657 10 0 CHAERN Cc1ccc([C@H](C)NCc2csc(Cl)n2)o1 ZINC000289961655 328124602 /nfs/dbraw/zinc/12/46/02/328124602.db2.gz IPZRLNHLEKMDHK-QMMMGPOBSA-N 0 0 256.758 3.549 10 0 CHAERN CCC1CCC(NC(=O)c2sccc2COC)CC1 ZINC000180270114 329218978 /nfs/dbraw/zinc/21/89/78/329218978.db2.gz ZLRAGPLRCPRQLL-UHFFFAOYSA-N 0 0 281.421 3.593 10 0 CHAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1O ZINC000049147177 328349422 /nfs/dbraw/zinc/34/94/22/328349422.db2.gz FUCHAPDNEPSGQT-SECBINFHSA-N 0 0 295.791 3.907 10 0 CHAERN CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000049268643 328353305 /nfs/dbraw/zinc/35/33/05/328353305.db2.gz WSOJQFRSGRUGJJ-IUCAKERBSA-N 0 0 272.751 3.638 10 0 CHAERN CCC(CC)NC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000101605513 328361065 /nfs/dbraw/zinc/36/10/65/328361065.db2.gz HRUCXQPNNAPCRS-UHFFFAOYSA-N 0 0 292.423 3.642 10 0 CHAERN c1coc([C@H](NCCOC2CCCC2)c2ccccc2)c1 ZINC000111635128 328369754 /nfs/dbraw/zinc/36/97/54/328369754.db2.gz DLAVVZCLZNUMHC-GOSISDBHSA-N 0 0 285.387 3.918 10 0 CHAERN Cn1c(CNc2ccnc(C3CC3)n2)cc(Cl)c1Cl ZINC000162824929 328486060 /nfs/dbraw/zinc/48/60/60/328486060.db2.gz WAWJBESZYNFXQR-UHFFFAOYSA-N 0 0 297.189 3.611 10 0 CHAERN CCCN(CC1CC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109081737 326823988 /nfs/dbraw/zinc/82/39/88/326823988.db2.gz HIFZISOSGTVKSO-KBPBESRZSA-N 0 0 293.357 3.717 10 0 CHAERN CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000109098879 326824444 /nfs/dbraw/zinc/82/44/44/326824444.db2.gz WMJBVMQZIPJVMX-UONOGXRCSA-N 0 0 287.309 3.731 10 0 CHAERN CC[C@@H](C)Oc1cccc(NCc2cnn(C)c2C)c1 ZINC000093650231 327133080 /nfs/dbraw/zinc/13/30/80/327133080.db2.gz KWPWPPXYPNVCAZ-GFCCVEGCSA-N 0 0 273.380 3.518 10 0 CHAERN Cc1cc(C)nc(-c2noc([C@@H]3CCC[C@@H]3C)n2)c1 ZINC000408224196 327301170 /nfs/dbraw/zinc/30/11/70/327301170.db2.gz DZBUDSHITDVNBG-CMPLNLGQSA-N 0 0 257.337 3.652 10 0 CHAERN CC1(C)CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000102918492 328715720 /nfs/dbraw/zinc/71/57/20/328715720.db2.gz VOAGTMTUCHHFCA-KGLIPLIRSA-N 0 0 277.795 3.845 10 0 CHAERN CC(C)[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000102986607 328716352 /nfs/dbraw/zinc/71/63/52/328716352.db2.gz KUMIBUJFUIJDHS-XIRDDKMYSA-N 0 0 289.419 3.500 10 0 CHAERN CC(C)Cc1ccc([C@H](C)NC(=O)N(C)CC(F)F)cc1 ZINC000103595616 328770538 /nfs/dbraw/zinc/77/05/38/328770538.db2.gz ULMFPUGFJMKIBM-LBPRGKRZSA-N 0 0 298.377 3.853 10 0 CHAERN CCOc1cc(C(=O)N2CCC[C@@H]2c2ccco2)ccc1C ZINC000116040107 328933810 /nfs/dbraw/zinc/93/38/10/328933810.db2.gz YJBDMPJDKMHBAO-OAHLLOKOSA-N 0 0 299.370 3.964 10 0 CHAERN CC1(C)C[C@H](NC(=O)[C@H]2CC=CCC2)c2ccccc2O1 ZINC000121862287 328990976 /nfs/dbraw/zinc/99/09/76/328990976.db2.gz WLXSKNQZYCJOMR-ZFWWWQNUSA-N 0 0 285.387 3.761 10 0 CHAERN CC1(C)C[C@H](NC(=O)[C@@H]2CC=CCC2)c2ccccc2O1 ZINC000121862479 328991016 /nfs/dbraw/zinc/99/10/16/328991016.db2.gz WLXSKNQZYCJOMR-HIFRSBDPSA-N 0 0 285.387 3.761 10 0 CHAERN C[C@H](NC(=O)Nc1ccncn1)c1ccc2ccccc2c1 ZINC000194060395 329065477 /nfs/dbraw/zinc/06/54/77/329065477.db2.gz IZIDCMGLPAGCNK-LBPRGKRZSA-N 0 0 292.342 3.513 10 0 CHAERN O=C(Nc1ccccc1)N1CCC(Cc2ccccn2)CC1 ZINC000171807794 329080355 /nfs/dbraw/zinc/08/03/55/329080355.db2.gz AMDSPWQPHIVPBC-UHFFFAOYSA-N 0 0 295.386 3.568 10 0 CHAERN CC(C)c1nccc(N[C@@H]2CCOc3ccccc32)n1 ZINC000171811571 329080386 /nfs/dbraw/zinc/08/03/86/329080386.db2.gz MUERVVAINNONOY-CYBMUJFWSA-N 0 0 269.348 3.536 10 0 CHAERN C[C@@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000171951741 329082629 /nfs/dbraw/zinc/08/26/29/329082629.db2.gz PXBJQBBKIKEING-GFCCVEGCSA-N 0 0 299.418 3.670 10 0 CHAERN CC(C)n1ccc(CN2CC=C(c3ccccc3)CC2)n1 ZINC000172332900 329083931 /nfs/dbraw/zinc/08/39/31/329083931.db2.gz JTURMENVYPOLSC-UHFFFAOYSA-N 0 0 281.403 3.753 10 0 CHAERN CCC(C)(C)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173409131 329146805 /nfs/dbraw/zinc/14/68/05/329146805.db2.gz RSBNEANRTOHLQG-LBPRGKRZSA-N 0 0 280.437 3.594 10 0 CHAERN COCCCCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123489795 329179594 /nfs/dbraw/zinc/17/95/94/329179594.db2.gz WAJMZZUCCWRCPE-KRWDZBQOSA-N 0 0 289.419 3.633 10 0 CHAERN CC(C)CC(C)(C)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177645417 329188540 /nfs/dbraw/zinc/18/85/40/329188540.db2.gz SOTULVORMMJQHS-CYBMUJFWSA-N 0 0 294.464 3.921 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)O1 ZINC000178017428 329191451 /nfs/dbraw/zinc/19/14/51/329191451.db2.gz JZMCIFLJQIBUOX-KCPJHIHWSA-N 0 0 293.794 3.571 10 0 CHAERN CCOC(=O)c1ccc(SCc2ccccc2)nc1 ZINC000220429207 329194958 /nfs/dbraw/zinc/19/49/58/329194958.db2.gz OXGSLRXSOSWWPS-UHFFFAOYSA-N 0 0 273.357 3.551 10 0 CHAERN Cc1coc(-c2ccc(C)c(NCc3cc[nH]c3)c2)n1 ZINC000178255090 329195233 /nfs/dbraw/zinc/19/52/33/329195233.db2.gz QQJJXWJPDJOEHI-UHFFFAOYSA-N 0 0 267.332 3.899 10 0 CHAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422978 329208260 /nfs/dbraw/zinc/20/82/60/329208260.db2.gz WGSINSYBUDGCSD-CZUORRHYSA-N 0 0 295.411 3.978 10 0 CHAERN Cc1scc(C(=O)N2CCC[C@H]2c2ccco2)c1C ZINC000180183653 329218260 /nfs/dbraw/zinc/21/82/60/329218260.db2.gz XVMXWSYPPXCHOF-ZDUSSCGKSA-N 0 0 275.373 3.935 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NC(C)(C)c2nccs2)CC(C)(C)C1 ZINC000180595758 329220978 /nfs/dbraw/zinc/22/09/78/329220978.db2.gz DYQDXXJURQYJRG-NEPJUHHUSA-N 0 0 294.464 3.957 10 0 CHAERN CC(=O)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)nc1 ZINC000180963405 329224469 /nfs/dbraw/zinc/22/44/69/329224469.db2.gz QFEQZZCMCVLBPN-SECBINFHSA-N 0 0 276.286 3.736 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CC1CCC1)[C@@H](C)C2 ZINC000181247286 329227583 /nfs/dbraw/zinc/22/75/83/329227583.db2.gz RHLBWORAXBPUMT-SJCJKPOMSA-N 0 0 257.377 3.535 10 0 CHAERN CCOCCC1(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000181166191 329233048 /nfs/dbraw/zinc/23/30/48/329233048.db2.gz SYRUGZYLXXBZHZ-HUUCEWRRSA-N 0 0 295.467 3.772 10 0 CHAERN CC[C@H]1C[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)CCO1 ZINC000182411029 329242144 /nfs/dbraw/zinc/24/21/44/329242144.db2.gz DFGJSIPHPNVLFT-ROUUACIJSA-N 0 0 299.414 3.508 10 0 CHAERN CC[C@@H]1C[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)CCO1 ZINC000182411007 329242170 /nfs/dbraw/zinc/24/21/70/329242170.db2.gz DFGJSIPHPNVLFT-ZWKOTPCHSA-N 0 0 299.414 3.508 10 0 CHAERN C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)C(C)(C)C ZINC000183675376 329251754 /nfs/dbraw/zinc/25/17/54/329251754.db2.gz IVAFGZXQYNBFOD-IPYPFGDCSA-N 0 0 289.423 3.609 10 0 CHAERN Cc1ccnc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000184063062 329257464 /nfs/dbraw/zinc/25/74/64/329257464.db2.gz FBEPTOSTCKGBFN-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN CC(C)c1ccc(NC(=O)N2CCCO[C@@H](C)C2)cc1F ZINC000184435565 329257844 /nfs/dbraw/zinc/25/78/44/329257844.db2.gz OBXWMPBYQHMECK-LBPRGKRZSA-N 0 0 294.370 3.592 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(Cl)cs2)o1 ZINC000226402931 329260665 /nfs/dbraw/zinc/26/06/65/329260665.db2.gz VYCQAUSUWAMIRO-QMMMGPOBSA-N 0 0 256.758 3.549 10 0 CHAERN C[C@H]1CCC[C@H]1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000184694919 329262178 /nfs/dbraw/zinc/26/21/78/329262178.db2.gz ILTFGWLURXXHLG-RYUDHWBXSA-N 0 0 285.347 3.501 10 0 CHAERN CC(C)n1nnnc1CSCc1ccc(C(F)F)cc1 ZINC000185635935 329328362 /nfs/dbraw/zinc/32/83/62/329328362.db2.gz RLNSQHBHUHYTNC-UHFFFAOYSA-N 0 0 298.362 3.625 10 0 CHAERN C[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000185951735 329333171 /nfs/dbraw/zinc/33/31/71/329333171.db2.gz NVAXEIFXXSEAPP-HZSPNIEDSA-N 0 0 261.365 3.769 10 0 CHAERN FC(F)(F)c1cccc(NCC2(C3CC3)CC2)n1 ZINC000228665223 329344136 /nfs/dbraw/zinc/34/41/36/329344136.db2.gz YOSOJYGSXGBTMN-UHFFFAOYSA-N 0 0 256.271 3.703 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(F)cc1 ZINC000186529228 329344817 /nfs/dbraw/zinc/34/48/17/329344817.db2.gz ZLFHHDJVNIBOOW-LLVKDONJSA-N 0 0 299.349 3.976 10 0 CHAERN CCCC[C@@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186535605 329344936 /nfs/dbraw/zinc/34/49/36/329344936.db2.gz JRMKWUPYIGJGMV-LLVKDONJSA-N 0 0 261.369 3.655 10 0 CHAERN CC[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C(C)C ZINC000186548702 329345107 /nfs/dbraw/zinc/34/51/07/329345107.db2.gz SWTWCJYRBDFSSE-CYBMUJFWSA-N 0 0 261.369 3.510 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1Cl ZINC000321360280 329348466 /nfs/dbraw/zinc/34/84/66/329348466.db2.gz CUGXUZRTZHGKDJ-YGOYTEALSA-N 0 0 266.772 3.755 10 0 CHAERN C[C@H](CC1CC1)NC(=O)N1CCC(c2ccsc2)CC1 ZINC000186887947 329350998 /nfs/dbraw/zinc/35/09/98/329350998.db2.gz NIZQIXLBUARDCC-GFCCVEGCSA-N 0 0 292.448 3.826 10 0 CHAERN CC(C)=CCN[C@H](c1cccc(F)c1)c1ccccn1 ZINC000188440969 329369024 /nfs/dbraw/zinc/36/90/24/329369024.db2.gz CLAJIVIBYNUASD-QGZVFWFLSA-N 0 0 270.351 3.866 10 0 CHAERN CSc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1Cl ZINC000188754111 329373080 /nfs/dbraw/zinc/37/30/80/329373080.db2.gz DSGROSLNOIXJLT-MWLCHTKSSA-N 0 0 299.823 3.816 10 0 CHAERN C[C@H](NC(=O)Cc1cnc2ccccc2c1)c1cccs1 ZINC000188915065 329373283 /nfs/dbraw/zinc/37/32/83/329373283.db2.gz QKDLKXDJCSIMJO-LBPRGKRZSA-N 0 0 296.395 3.716 10 0 CHAERN CCOC1CC(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000190011355 329391764 /nfs/dbraw/zinc/39/17/64/329391764.db2.gz IXKKHKVDKYKNGL-OKEQZYBDSA-N 0 0 293.451 3.524 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCc3c(O)cccc32)o1 ZINC000190121781 329392239 /nfs/dbraw/zinc/39/22/39/329392239.db2.gz XLIKEPVJCPVWBM-WFASDCNBSA-N 0 0 299.370 3.591 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2oc(CC(C)C)nc2C)o1 ZINC000190121651 329392249 /nfs/dbraw/zinc/39/22/49/329392249.db2.gz HAVSMKONBFNMPT-LLVKDONJSA-N 0 0 290.363 3.574 10 0 CHAERN C[C@H](c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1)C1CC1 ZINC000190385161 329395797 /nfs/dbraw/zinc/39/57/97/329395797.db2.gz ZAHZKXPTUKXTFM-DLOVCJGASA-N 0 0 264.369 3.502 10 0 CHAERN COCCC[C@@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190384066 329395890 /nfs/dbraw/zinc/39/58/90/329395890.db2.gz ACJQZVPEAGHDBG-AGIUHOORSA-N 0 0 296.411 3.518 10 0 CHAERN CC(C)c1nccc(N2CCCC[C@@H]2c2nccs2)n1 ZINC000110411059 329540111 /nfs/dbraw/zinc/54/01/11/329540111.db2.gz SCNUBWGXOALNPQ-GFCCVEGCSA-N 0 0 288.420 3.788 10 0 CHAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116046839 329544351 /nfs/dbraw/zinc/54/43/51/329544351.db2.gz RUCIFGZDMKQGNU-HNNXBMFYSA-N 0 0 299.370 3.639 10 0 CHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cccc2ccccc21 ZINC000123551850 329560215 /nfs/dbraw/zinc/56/02/15/329560215.db2.gz UOUYKKACXDXIDS-IGCXYCKISA-N 0 0 283.371 3.585 10 0 CHAERN C[C@H](N[C@@H](C)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000124799093 329573934 /nfs/dbraw/zinc/57/39/34/329573934.db2.gz QWZXDWJYDVFYLP-YUMQZZPRSA-N 0 0 255.774 3.536 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cccnc2)cc1 ZINC000126837843 329594857 /nfs/dbraw/zinc/59/48/57/329594857.db2.gz RTSLBBTXNBXWAR-MSOLQXFVSA-N 0 0 294.398 3.625 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NCc2ccc(F)c(C)c2)o1 ZINC000048049894 329623367 /nfs/dbraw/zinc/62/33/67/329623367.db2.gz ZFEYGSCQDRXLGH-LBPRGKRZSA-N 0 0 290.338 3.596 10 0 CHAERN Cc1ccc([C@@H]2CN(C(=O)CCCC(C)(C)C)CCO2)o1 ZINC000133350521 329652377 /nfs/dbraw/zinc/65/23/77/329652377.db2.gz PCURXPNRPGVHPX-HNNXBMFYSA-N 0 0 293.407 3.704 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1ccc(F)cc1 ZINC000194700155 329688248 /nfs/dbraw/zinc/68/82/48/329688248.db2.gz KGPUYBXBBVDDBC-SNVBAGLBSA-N 0 0 279.384 3.740 10 0 CHAERN Cc1noc(C)c1CN1c2ccccc2N(C)CC[C@H]1C ZINC000245432256 329698667 /nfs/dbraw/zinc/69/86/67/329698667.db2.gz OMVKYTKBNUSSQN-GFCCVEGCSA-N 0 0 285.391 3.526 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)O1 ZINC000246002513 329764916 /nfs/dbraw/zinc/76/49/16/329764916.db2.gz JZMCIFLJQIBUOX-BYCMXARLSA-N 0 0 293.794 3.571 10 0 CHAERN CC(C)[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1Cl ZINC000246045873 329776398 /nfs/dbraw/zinc/77/63/98/329776398.db2.gz PJBBMSRKENQGAS-DFBGVHRSSA-N 0 0 295.810 3.721 10 0 CHAERN CC1(C)[C@H](Nc2ccc(-c3ncco3)cc2)[C@H]2CCCO[C@H]21 ZINC000246199962 329801833 /nfs/dbraw/zinc/80/18/33/329801833.db2.gz UXBJEUZKSKZQLE-BZUAXINKSA-N 0 0 298.386 3.957 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000246342930 329836453 /nfs/dbraw/zinc/83/64/53/329836453.db2.gz MZXPEJBPUYCHTN-HSHDSVGOSA-N 0 0 269.388 3.787 10 0 CHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC000246714697 329869526 /nfs/dbraw/zinc/86/95/26/329869526.db2.gz KZKZJGBNNSJOGC-XQQFMLRXSA-N 0 0 292.448 3.629 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC(C)(C)C1 ZINC000248907230 329902313 /nfs/dbraw/zinc/90/23/13/329902313.db2.gz UYVBPDMHARMRIG-OEAJRASXSA-N 0 0 293.451 3.523 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000249204903 329905509 /nfs/dbraw/zinc/90/55/09/329905509.db2.gz BJIYVGBKPAFNBW-TYNCELHUSA-N 0 0 295.810 3.675 10 0 CHAERN C[C@@H](CO)SCc1ncc(-c2ccccc2Cl)o1 ZINC000079100814 330000412 /nfs/dbraw/zinc/00/04/12/330000412.db2.gz OQZPTCWNCFZBOX-VIFPVBQESA-N 0 0 283.780 3.609 10 0 CHAERN CSc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000263396298 330054082 /nfs/dbraw/zinc/05/40/82/330054082.db2.gz GRZHIIMNDCXQHC-GWCFXTLKSA-N 0 0 299.411 3.698 10 0 CHAERN CCCC[C@H]([NH2+][C@H](C)c1ccc(SC)c(F)c1)C(=O)[O-] ZINC000263451559 330056439 /nfs/dbraw/zinc/05/64/39/330056439.db2.gz ZUPQNTQCGJIHQI-MFKMUULPSA-N 0 0 299.411 3.842 10 0 CHAERN CSCCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162711966 330109060 /nfs/dbraw/zinc/10/90/60/330109060.db2.gz HHLTYFAZVPEFSV-IUODEOHRSA-N 0 0 277.433 3.884 10 0 CHAERN Cc1ncsc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162776845 330114720 /nfs/dbraw/zinc/11/47/20/330114720.db2.gz CQMONNFHVPVXJY-QMTHXVAHSA-N 0 0 286.400 3.820 10 0 CHAERN Fc1ccc(CN2C[C@@H]3CCC[C@H]32)cc1Br ZINC000533081725 330331754 /nfs/dbraw/zinc/33/17/54/330331754.db2.gz QORJVQIPEJJORF-GXFFZTMASA-N 0 0 284.172 3.573 10 0 CHAERN C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000046743135 330355502 /nfs/dbraw/zinc/35/55/02/330355502.db2.gz HFJFUAJLDGPRNY-GUYCJALGSA-N 0 0 283.371 3.586 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCC2CCOCC2)cc1F ZINC000119561399 330376153 /nfs/dbraw/zinc/37/61/53/330376153.db2.gz GGSNWHPQQHMVGE-ZDUSSCGKSA-N 0 0 293.382 3.518 10 0 CHAERN Nc1nc(C2CCC(C(F)(F)F)CC2)cs1 ZINC000096378751 330381658 /nfs/dbraw/zinc/38/16/58/330381658.db2.gz JMGGKSKMEIHRJU-UHFFFAOYSA-N 0 0 250.289 3.561 10 0 CHAERN COC(=O)c1cc2ccc(Br)c(F)c2s1 ZINC000396295421 330381997 /nfs/dbraw/zinc/38/19/97/330381997.db2.gz TUZRALUZDMXQNU-UHFFFAOYSA-N 0 0 289.125 3.590 10 0 CHAERN O=C1CC2(CCC(F)(F)CC2)Oc2ccc(F)cc21 ZINC000536953422 330382662 /nfs/dbraw/zinc/38/26/62/330382662.db2.gz HPQMXYXIYSMOMP-UHFFFAOYSA-N 0 0 270.250 3.739 10 0 CHAERN CC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@@H]1C[C@H]1CO2 ZINC000536954846 330382993 /nfs/dbraw/zinc/38/29/93/330382993.db2.gz MSUAWOFPOITNML-YFTKNLTDSA-N 0 0 295.423 3.639 10 0 CHAERN CC(=O)c1nnc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000536958485 330383804 /nfs/dbraw/zinc/38/38/04/330383804.db2.gz FUPJIJRFTQTVLM-UHFFFAOYSA-N 0 0 284.212 3.504 10 0 CHAERN C[C@@H](NC(=O)N(C)CCC1CC1)c1ccc(F)c(Cl)c1 ZINC000120336039 330387058 /nfs/dbraw/zinc/38/70/58/330387058.db2.gz HRGKXENQOHINNL-SNVBAGLBSA-N 0 0 298.789 3.982 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2Cc2ccccc2)O1 ZINC000125333083 330397446 /nfs/dbraw/zinc/39/74/46/330397446.db2.gz LECUIYYQQSFUFU-KBXCAEBGSA-N 0 0 295.382 3.783 10 0 CHAERN CCn1c(C)nnc1CSC[C@H]1CCC[C@@H](C)C1 ZINC000091037414 330398094 /nfs/dbraw/zinc/39/80/94/330398094.db2.gz KSASGVPSQGFYHA-YPMHNXCESA-N 0 0 267.442 3.666 10 0 CHAERN CCn1cccc1CNc1cc(OC)ccc1Cl ZINC000091127533 330398920 /nfs/dbraw/zinc/39/89/20/330398920.db2.gz QTOJMLVMJSAWML-UHFFFAOYSA-N 0 0 264.756 3.782 10 0 CHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)NC1CC1 ZINC000123100246 330442510 /nfs/dbraw/zinc/44/25/10/330442510.db2.gz BGANLCQAGJGCNF-QPUJVOFHSA-N 0 0 299.201 3.559 10 0 CHAERN Cc1ccoc1CN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000153022720 330638682 /nfs/dbraw/zinc/63/86/82/330638682.db2.gz YARFJZKDIIKERL-AWEZNQCLSA-N 0 0 271.360 3.980 10 0 CHAERN CC[C@@H](NC(=O)c1ccsc1Br)C(C)C ZINC000449807712 330950948 /nfs/dbraw/zinc/95/09/48/330950948.db2.gz WXDOMZFLEUGQDA-SECBINFHSA-N 0 0 290.226 3.675 10 0 CHAERN Cc1nc(-c2cccc(N[C@@H]3CCOC[C@H]3C)c2)cs1 ZINC000194969002 331084398 /nfs/dbraw/zinc/08/43/98/331084398.db2.gz WVEGLPGIJDOFLH-IAQYHMDHSA-N 0 0 288.416 3.955 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(O)cc1F)[C@@H](C)C2 ZINC000163817772 331128956 /nfs/dbraw/zinc/12/89/56/331128956.db2.gz VVFXRKMVUIHQJF-APPDUMDISA-N 0 0 299.345 3.503 10 0 CHAERN c1coc([C@@H]2CCCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459358892 331278034 /nfs/dbraw/zinc/27/80/34/331278034.db2.gz XJOJVYLJYPKKIK-HNNXBMFYSA-N 0 0 283.375 3.674 10 0 CHAERN FC(F)(F)CCCCNc1ccc(C(F)(F)F)nn1 ZINC000167104938 331307931 /nfs/dbraw/zinc/30/79/31/331307931.db2.gz PEEMONJGAWRQEQ-UHFFFAOYSA-N 0 0 287.207 3.640 10 0 CHAERN CC(C)c1nccnc1N[C@H](C)c1ccccc1Cl ZINC000472029172 331526170 /nfs/dbraw/zinc/52/61/70/331526170.db2.gz JCEGQRNCYVMGSK-LLVKDONJSA-N 0 0 275.783 3.848 10 0 CHAERN O=C(NCCC1CCCC1)N1CCC[C@H]1c1ccco1 ZINC000172112796 335095239 /nfs/dbraw/zinc/09/52/39/335095239.db2.gz GQSHBXNGVSXOOS-AWEZNQCLSA-N 0 0 276.380 3.706 10 0 CHAERN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172118150 335095492 /nfs/dbraw/zinc/09/54/92/335095492.db2.gz PZNXAZUSUMJSPU-RWMBFGLXSA-N 0 0 264.369 3.561 10 0 CHAERN CCCCOC(=O)c1ccccc1C(=O)O[C@H](C)CC ZINC000503990579 332701846 /nfs/dbraw/zinc/70/18/46/332701846.db2.gz DMSFDAQRGXFPDE-GFCCVEGCSA-N 0 0 278.348 3.599 10 0 CHAERN CC/C=C/COCc1cccc(Br)c1 ZINC000308278866 333026893 /nfs/dbraw/zinc/02/68/93/333026893.db2.gz NCQRQTXVUAVMBN-ONEGZZNKSA-N 0 0 255.155 3.932 10 0 CHAERN CCC1CCC(NC(=O)N(C(C)C)C2CC2)CC1 ZINC000175919275 333037717 /nfs/dbraw/zinc/03/77/17/333037717.db2.gz YXYSEDKPRWPQJF-UHFFFAOYSA-N 0 0 252.402 3.538 10 0 CHAERN C[C@@H](CCC[C@H](C)C(=O)[O-])[NH2+]CC1CCC(C)CC1 ZINC000311734535 333071730 /nfs/dbraw/zinc/07/17/30/333071730.db2.gz RQFYAFWHRPTXDK-GQKFXUNGSA-N 0 0 269.429 3.682 10 0 CHAERN C[C@H](CCC[C@@H](C)C(=O)[O-])[NH2+]CC1CCC(C)CC1 ZINC000311734537 333071803 /nfs/dbraw/zinc/07/18/03/333071803.db2.gz RQFYAFWHRPTXDK-PIOWNMBXSA-N 0 0 269.429 3.682 10 0 CHAERN COCCOc1cc(C)ccc1N[C@@H]1CCC1(C)C ZINC000311820849 333072885 /nfs/dbraw/zinc/07/28/85/333072885.db2.gz IESCGWIHUNNQRL-OAHLLOKOSA-N 0 0 263.381 3.621 10 0 CHAERN CCC1CCC(NC(=O)CCSc2ccccn2)CC1 ZINC000087067674 333081125 /nfs/dbraw/zinc/08/11/25/333081125.db2.gz YFPOSNYOMNOBKY-UHFFFAOYSA-N 0 0 292.448 3.649 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2F)cc1F ZINC000088233949 333087307 /nfs/dbraw/zinc/08/73/07/333087307.db2.gz RNZMNHCGKQPNBR-SNVBAGLBSA-N 0 0 293.288 3.903 10 0 CHAERN Cc1csc(N(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000183185534 333119284 /nfs/dbraw/zinc/11/92/84/333119284.db2.gz NCGDYBVJZFEWML-ZYHUDNBSSA-N 0 0 280.437 3.877 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(C)Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000183257016 333119837 /nfs/dbraw/zinc/11/98/37/333119837.db2.gz WLRPWYBOMIDTHD-ZFWWWQNUSA-N 0 0 289.419 3.813 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184388275 333128049 /nfs/dbraw/zinc/12/80/49/333128049.db2.gz YENMXGTVXHFZCB-NEPJUHHUSA-N 0 0 296.361 3.508 10 0 CHAERN CCC1(C(=O)Nc2ccccc2OC)CCCCC1 ZINC000185487054 333141583 /nfs/dbraw/zinc/14/15/83/333141583.db2.gz NEBPEWMCUVASOM-UHFFFAOYSA-N 0 0 261.365 3.994 10 0 CHAERN CSCCCCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000186176125 333156230 /nfs/dbraw/zinc/15/62/30/333156230.db2.gz DFDNGXLHSWQGJY-AWEZNQCLSA-N 0 0 294.464 3.889 10 0 CHAERN COc1cc(NC(=O)N[C@H](C)C(C)C)ccc1OC(C)C ZINC000186238534 333157271 /nfs/dbraw/zinc/15/72/71/333157271.db2.gz DAOTZTSFUSUAJA-GFCCVEGCSA-N 0 0 294.395 3.648 10 0 CHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000220951841 333171210 /nfs/dbraw/zinc/17/12/10/333171210.db2.gz VWIJJMAQHLDYTD-NWDGAFQWSA-N 0 0 262.328 3.842 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000188983551 333177110 /nfs/dbraw/zinc/17/71/10/333177110.db2.gz SHUHVUOGBNYQOP-BPUTZDHNSA-N 0 0 289.419 3.705 10 0 CHAERN CC(C)c1c(N[C@H]2CCOC[C@H]2C)cnn1-c1ccccc1 ZINC000195130484 333246481 /nfs/dbraw/zinc/24/64/81/333246481.db2.gz QSNZDYQHDAYRKR-ZBFHGGJFSA-N 0 0 299.418 3.833 10 0 CHAERN Clc1ccsc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000194345808 333269626 /nfs/dbraw/zinc/26/96/26/333269626.db2.gz MJQXXEYYSFGSJN-NWDGAFQWSA-N 0 0 271.813 3.545 10 0 CHAERN COc1cccc([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000194393434 333270561 /nfs/dbraw/zinc/27/05/61/333270561.db2.gz UONMFHGBHYXHEY-OLZOCXBDSA-N 0 0 287.359 3.578 10 0 CHAERN Cn1c(CSCc2cccc(Cl)c2)nnc1C1CC1 ZINC000194696977 333275769 /nfs/dbraw/zinc/27/57/69/333275769.db2.gz NIJJLFNBOAKGNQ-UHFFFAOYSA-N 0 0 293.823 3.779 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000227102685 333276152 /nfs/dbraw/zinc/27/61/52/333276152.db2.gz CGWKJPUAYCPCKY-KCJUWKMLSA-N 0 0 289.272 3.763 10 0 CHAERN Brc1cncc(N2CC[C@H]3CCCC[C@H]32)c1 ZINC000228852204 333297917 /nfs/dbraw/zinc/29/79/17/333297917.db2.gz NLOKADUVXFEROM-ZWNOBZJWSA-N 0 0 281.197 3.613 10 0 CHAERN CCCOc1ccccc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000250285743 333304172 /nfs/dbraw/zinc/30/41/72/333304172.db2.gz ZMWUITUZZJLTSY-APHBMKBZSA-N 0 0 275.392 3.701 10 0 CHAERN CCOC(=O)c1sc(NC(=O)[C@H]2CCC[C@@H]2C)cc1C ZINC000230042490 333312532 /nfs/dbraw/zinc/31/25/32/333312532.db2.gz GSSDKTLANYMZLM-ONGXEEELSA-N 0 0 295.404 3.608 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000230198254 333315681 /nfs/dbraw/zinc/31/56/81/333315681.db2.gz JQBCCFQKUBIORZ-QPUJVOFHSA-N 0 0 289.272 3.763 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2cc(C)nc(C(C)C)n2)C1 ZINC000230923310 333322611 /nfs/dbraw/zinc/32/26/11/333322611.db2.gz KEIRVMAJPUDCBE-STQMWFEESA-N 0 0 279.453 3.995 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1ccnc2cccnc21 ZINC000338641867 335137434 /nfs/dbraw/zinc/13/74/34/335137434.db2.gz OGZVCZWURDBQEE-ZDUSSCGKSA-N 0 0 263.344 3.533 10 0 CHAERN CC(C)C[C@@H](C)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000037033026 333465964 /nfs/dbraw/zinc/46/59/64/333465964.db2.gz WHQWFTHGUDDAMA-LLVKDONJSA-N 0 0 282.815 3.888 10 0 CHAERN COCCn1cc(N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000037090408 333477710 /nfs/dbraw/zinc/47/77/10/333477710.db2.gz LWPRGIBJYXGKLA-CABCVRRESA-N 0 0 279.428 3.546 10 0 CHAERN CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000123370833 333481312 /nfs/dbraw/zinc/48/13/12/333481312.db2.gz PWJVVLSOXHJNFE-HIFRSBDPSA-N 0 0 293.407 3.893 10 0 CHAERN CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000123370385 333481393 /nfs/dbraw/zinc/48/13/93/333481393.db2.gz PWJVVLSOXHJNFE-ZFWWWQNUSA-N 0 0 293.407 3.893 10 0 CHAERN Fc1ccc(CN2CCNc3ccccc32)c(Cl)c1 ZINC000037563302 333534925 /nfs/dbraw/zinc/53/49/25/333534925.db2.gz XLQMWSIVZSKCIM-UHFFFAOYSA-N 0 0 276.742 3.911 10 0 CHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1CCC1 ZINC000123472731 333538405 /nfs/dbraw/zinc/53/84/05/333538405.db2.gz MLYWRDRTCRBNID-HNNXBMFYSA-N 0 0 257.377 3.616 10 0 CHAERN Cc1ccc2[nH]c(=NCc3ccc(Cl)o3)sc2c1 ZINC000539606082 333680323 /nfs/dbraw/zinc/68/03/23/333680323.db2.gz ALLPSMFIYVYZCQ-UHFFFAOYSA-N 0 0 278.764 3.885 10 0 CHAERN CC[C@H]1CCC[C@H](NC(=O)c2cccc3c2CCCN3)C1 ZINC000068603940 333710685 /nfs/dbraw/zinc/71/06/85/333710685.db2.gz NAPDMKXGZXZDBN-KBPBESRZSA-N 0 0 286.419 3.743 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2cccc(Cn3cncn3)c2)[C@@H]1C ZINC000068626057 333714419 /nfs/dbraw/zinc/71/44/19/333714419.db2.gz CNIQGVLZQNCKEK-CPUCHLNUSA-N 0 0 284.407 3.563 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)CC2CC2)cc1 ZINC000129637948 333784517 /nfs/dbraw/zinc/78/45/17/333784517.db2.gz WVGZCTAEUGVJRD-IAGOWNOFSA-N 0 0 271.404 3.782 10 0 CHAERN CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000070557683 333816863 /nfs/dbraw/zinc/81/68/63/333816863.db2.gz PMIVPNUORCBGHU-GDBMZVCRSA-N 0 0 289.419 3.717 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)O1 ZINC000131915464 333968704 /nfs/dbraw/zinc/96/87/04/333968704.db2.gz KCXDFEHYXPFHOX-UGFHNGPFSA-N 0 0 293.382 3.597 10 0 CHAERN Cc1nnc(N[C@@H]2CCCCc3ccccc32)s1 ZINC000077214861 334099052 /nfs/dbraw/zinc/09/90/52/334099052.db2.gz VRBYXFASWBHOQY-CYBMUJFWSA-N 0 0 259.378 3.726 10 0 CHAERN CCC1CCC(NC(=O)Nc2ccccc2COC)CC1 ZINC000077674428 334111952 /nfs/dbraw/zinc/11/19/52/334111952.db2.gz QVSPFPIDTZUVIS-UHFFFAOYSA-N 0 0 290.407 3.923 10 0 CHAERN Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1Br ZINC000135479610 334131312 /nfs/dbraw/zinc/13/13/12/334131312.db2.gz ABRBBBLRFHCCOU-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1cnc(-c2ccccc2)s1 ZINC000078349391 334131871 /nfs/dbraw/zinc/13/18/71/334131871.db2.gz YWRBMYRYCIIRLG-LLVKDONJSA-N 0 0 274.389 3.584 10 0 CHAERN Cc1ccc(CCCC(=O)N[C@H](C)C(C)C)s1 ZINC000079384008 334153047 /nfs/dbraw/zinc/15/30/47/334153047.db2.gz QGNSRNQUMDUWTH-GFCCVEGCSA-N 0 0 253.411 3.540 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(Cn3cccn3)cc2)C1 ZINC000080457561 334171681 /nfs/dbraw/zinc/17/16/81/334171681.db2.gz OZMSJFJARNJPNM-RHSMWYFYSA-N 0 0 269.392 3.922 10 0 CHAERN CCNC(=O)c1ccc(C)c(N[C@H]2CC[C@H](CC)C2)c1 ZINC000080454725 334171726 /nfs/dbraw/zinc/17/17/26/334171726.db2.gz VCJLRUSMOJWRHI-ZFWWWQNUSA-N 0 0 274.408 3.735 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000245919363 334224051 /nfs/dbraw/zinc/22/40/51/334224051.db2.gz MCHVIYIPCPHQHD-XDRUHAPNSA-N 0 0 284.186 3.622 10 0 CHAERN CC[C@H](C)Oc1cccc(NC[C@@H](O)C(C)(C)C)c1 ZINC000311535058 334226893 /nfs/dbraw/zinc/22/68/93/334226893.db2.gz HQKPBFIMSWBDMP-SWLSCSKDSA-N 0 0 265.397 3.683 10 0 CHAERN CC(C)[C@H](CC(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000246012720 334227824 /nfs/dbraw/zinc/22/78/24/334227824.db2.gz KUMIBUJFUIJDHS-HYVNUMGLSA-N 0 0 289.419 3.500 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247219842 334277714 /nfs/dbraw/zinc/27/77/14/334277714.db2.gz WHZMWHOBNRFZSJ-XYJFISCASA-N 0 0 295.467 3.747 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCn3cccc3[C@H]2C)CC(C)(C)C1 ZINC000248597085 334307686 /nfs/dbraw/zinc/30/76/86/334307686.db2.gz TWCCOYCLQIBWER-KFWWJZLASA-N 0 0 288.435 3.854 10 0 CHAERN Clc1ccsc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000248733026 334315174 /nfs/dbraw/zinc/31/51/74/334315174.db2.gz MJQXXEYYSFGSJN-VXGBXAGGSA-N 0 0 271.813 3.545 10 0 CHAERN C[C@@H]1C[C@H]1c1ccc(CN[C@H]2COc3ccccc32)o1 ZINC000252212753 334377080 /nfs/dbraw/zinc/37/70/80/334377080.db2.gz YNCOSWVPXLTNBB-DFBGVHRSSA-N 0 0 269.344 3.626 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000253279835 334427342 /nfs/dbraw/zinc/42/73/42/334427342.db2.gz SWRHKESFQUAIFP-BYNSBNAKSA-N 0 0 281.440 3.523 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N(C)c2c(Cl)cccc2Cl)O1 ZINC000093262187 334451945 /nfs/dbraw/zinc/45/19/45/334451945.db2.gz GCJNWMYJPRNARR-KWQFWETISA-N 0 0 288.174 3.524 10 0 CHAERN Cc1ccc(/C=C\CC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000255042386 334505789 /nfs/dbraw/zinc/50/57/89/334505789.db2.gz SFRBVIMIDIVTFV-CHYADLBTSA-N 0 0 293.366 3.648 10 0 CHAERN Cc1nsc(N[C@H](C)c2ccccc2Br)n1 ZINC000266145118 334690400 /nfs/dbraw/zinc/69/04/00/334690400.db2.gz RTTAHTCJFYCNQR-SSDOTTSWSA-N 0 0 298.209 3.782 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)O1 ZINC000157326718 334766991 /nfs/dbraw/zinc/76/69/91/334766991.db2.gz AUVICARWRXHXML-BLLLJJGKSA-N 0 0 291.366 3.669 10 0 CHAERN Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000177088756 335358566 /nfs/dbraw/zinc/35/85/66/335358566.db2.gz RGRVQQHQEPJYHL-UONOGXRCSA-N 0 0 287.432 3.787 10 0 CHAERN CCCCOC[C@@H](O)CNc1cccc(C2CCC2)c1 ZINC000578742013 335668459 /nfs/dbraw/zinc/66/84/59/335668459.db2.gz UVNJQHFFUKQZTM-KRWDZBQOSA-N 0 0 277.408 3.544 10 0 CHAERN Cc1cccc2sc(NCc3cccn3C)nc21 ZINC000181549234 335769753 /nfs/dbraw/zinc/76/97/53/335769753.db2.gz URYQDHYOKLIWGU-UHFFFAOYSA-N 0 0 257.362 3.555 10 0 CHAERN CC(C)c1nnc(CSc2ccc(F)c(F)c2)n1C ZINC000194681242 336037150 /nfs/dbraw/zinc/03/71/50/336037150.db2.gz WTMMFKVXVXECKB-UHFFFAOYSA-N 0 0 283.347 3.509 10 0 CHAERN CC(C)c1nnc(CNc2ccccc2C(C)(C)C)n1C ZINC000194988799 336042155 /nfs/dbraw/zinc/04/21/55/336042155.db2.gz NJYGNISNWULXEI-UHFFFAOYSA-N 0 0 286.423 3.848 10 0 CHAERN CCNc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000050774530 520280253 /nfs/dbraw/zinc/28/02/53/520280253.db2.gz JJZFKYLODVBJJV-LBPRGKRZSA-N 0 0 262.397 3.625 10 0 CHAERN CCCCN(c1nc(CC)c(CO)s1)[C@@H](C)CC ZINC000055014699 520551411 /nfs/dbraw/zinc/55/14/11/520551411.db2.gz VCMVBUMJQWRRPV-NSHDSACASA-N 0 0 270.442 3.603 10 0 CHAERN CCC(CC)N(C)C(=O)c1cc(Cl)ccc1NC ZINC000050754749 521542256 /nfs/dbraw/zinc/54/22/56/521542256.db2.gz HFRLJJPYVGVYIY-UHFFFAOYSA-N 0 0 268.788 3.642 10 0 CHAERN CCC[C@H](c1cccs1)N1C(=S)N=NC1CCC ZINC000049546398 521570358 /nfs/dbraw/zinc/57/03/58/521570358.db2.gz IVBRJHITSIXINE-SNVBAGLBSA-N 0 0 281.450 3.970 10 0 CHAERN CCSc1ccc(Cl)cc1NC(=O)[C@H](C)COC ZINC000104483045 521748652 /nfs/dbraw/zinc/74/86/52/521748652.db2.gz GHBGGWMMDYUITN-SECBINFHSA-N 0 0 287.812 3.673 10 0 CHAERN CC[C@H](C)SCc1cc2ccc(OC)cc2nc1N ZINC000050837434 521781380 /nfs/dbraw/zinc/78/13/80/521781380.db2.gz AJADRGCNIDUVAW-JTQLQIEISA-N 0 0 276.405 3.857 10 0 CHAERN CCc1nc(N(CC)c2ccc(F)cc2)sc1C=O ZINC000054967577 522380687 /nfs/dbraw/zinc/38/06/87/522380687.db2.gz SABJELZOOPJSTB-UHFFFAOYSA-N 0 0 278.352 3.815 10 0 CHAERN Brc1cc(Oc2ccccc2)ccn1 ZINC000299889818 518207028 /nfs/dbraw/zinc/20/70/28/518207028.db2.gz PEARSOQDYCLLHO-UHFFFAOYSA-N 0 0 250.095 3.636 10 0 CHAERN CC(C)(C)c1csc(N2[C@@H]3CCC[C@H]2CC(=O)C3)n1 ZINC000054601192 519082358 /nfs/dbraw/zinc/08/23/58/519082358.db2.gz SMNWXZQYRJGVKW-PHIMTYICSA-N 0 0 278.421 3.531 10 0 CHAERN CC(C)N(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(C)C ZINC000110291709 519574684 /nfs/dbraw/zinc/57/46/84/519574684.db2.gz JFFRSDJFBXEIPB-STQMWFEESA-N 0 0 281.346 3.714 10 0 CHAERN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000138969819 519763613 /nfs/dbraw/zinc/76/36/13/519763613.db2.gz AAIOJBBRJLBBHR-KGLIPLIRSA-N 0 0 287.407 3.856 10 0 CHAERN CC(C)c1ccc(-c2nc(N)cc(C(C)C)n2)cc1 ZINC000050846561 519833810 /nfs/dbraw/zinc/83/38/10/519833810.db2.gz RDZRTUYRZDHVNX-UHFFFAOYSA-N 0 0 255.365 3.973 10 0 CHAERN CCCC(O)(CCC)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000161704962 519885555 /nfs/dbraw/zinc/88/55/55/519885555.db2.gz OXKQOOTXDAJVOK-AWEZNQCLSA-N 0 0 293.407 3.665 10 0 CHAERN CCCC1CCC(Nc2ccc(Cl)nn2)CC1 ZINC000049546186 519899472 /nfs/dbraw/zinc/89/94/72/519899472.db2.gz QJRVHBNPJLFPAJ-UHFFFAOYSA-N 0 0 253.777 3.901 10 0 CHAERN CCN(C(=O)N[C@@H]1C[C@@H]1C)[C@H](C)c1cc2ccccc2o1 ZINC000075977525 519983485 /nfs/dbraw/zinc/98/34/85/519983485.db2.gz FPXZJYSFGUVPMW-OUCADQQQSA-N 0 0 286.375 3.934 10 0 CHAERN CCN(C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)C(C)C ZINC000121117938 519987331 /nfs/dbraw/zinc/98/73/31/519987331.db2.gz BCEXCMNKDWZJRY-AWEZNQCLSA-N 0 0 290.407 3.729 10 0 CHAERN CC(C)n1ccnc(N[C@H](C)c2ccc(Cl)s2)c1=O ZINC000061764813 520024121 /nfs/dbraw/zinc/02/41/21/520024121.db2.gz TWNPRQZMZPAQSC-SECBINFHSA-N 0 0 297.811 3.712 10 0 CHAERN CCCCCC[NH+]1CCC(CCC)(C(=O)[O-])CC1 ZINC000062847324 520077592 /nfs/dbraw/zinc/07/75/92/520077592.db2.gz VZBXRTKVUOKCCL-UHFFFAOYSA-N 0 0 255.402 3.534 10 0 CHAERN CCC[NH2+][C@](C)(CCS[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000054695268 520107424 /nfs/dbraw/zinc/10/74/24/520107424.db2.gz GSJSUFPSAZPCKS-GZBFAFLISA-N 0 0 287.469 3.531 10 0 CHAERN CCCNc1ccc(-c2ccc(F)c(Cl)c2)nn1 ZINC000050868202 520141222 /nfs/dbraw/zinc/14/12/22/520141222.db2.gz AYLORSKYYDJDHA-UHFFFAOYSA-N 0 0 265.719 3.758 10 0 CHAERN CCCNc1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000050724822 520175527 /nfs/dbraw/zinc/17/55/27/520175527.db2.gz KZZDFXUMENPWGI-ZDUSSCGKSA-N 0 0 260.381 3.523 10 0 CHAERN CCCNc1ccnc(-c2ccc(Cl)s2)n1 ZINC000050865711 520183170 /nfs/dbraw/zinc/18/31/70/520183170.db2.gz BVZWXEDKUMEJBD-UHFFFAOYSA-N 0 0 253.758 3.680 10 0 CHAERN CCCNc1ncccc1CO[C@H](C)CC(C)C ZINC000052754942 520197002 /nfs/dbraw/zinc/19/70/02/520197002.db2.gz DJJLMWDPEWEGIK-CYBMUJFWSA-N 0 0 250.386 3.855 10 0 CHAERN CC[NH2+][C@](C)(CCCS[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000054695691 520229358 /nfs/dbraw/zinc/22/93/58/520229358.db2.gz RMVPSHJOCDFTPT-KCQAQPDRSA-N 0 0 287.469 3.531 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2cc(F)c(F)cc21 ZINC000050870039 520265608 /nfs/dbraw/zinc/26/56/08/520265608.db2.gz UWAICOSKWLBTOS-UHFFFAOYSA-N 0 0 276.208 3.964 10 0 CHAERN CCNc1cc(C(F)F)nc2ccc(N(C)C)cc21 ZINC000061629501 520265736 /nfs/dbraw/zinc/26/57/36/520265736.db2.gz KBSBFFGWLZTWIH-UHFFFAOYSA-N 0 0 265.307 3.670 10 0 CHAERN CCNc1cc(C)nc(-c2ccc(Cl)c(F)c2)n1 ZINC000050864672 520270251 /nfs/dbraw/zinc/27/02/51/520270251.db2.gz MCOPUAHVLRBNLD-UHFFFAOYSA-N 0 0 265.719 3.676 10 0 CHAERN CCNc1ccccc1C(=O)N[C@@H](C)c1ccsc1 ZINC000061374063 520338892 /nfs/dbraw/zinc/33/88/92/520338892.db2.gz KMTTYZYTCKVWBP-NSHDSACASA-N 0 0 274.389 3.671 10 0 CHAERN CCNc1ncccc1CSc1cccc(OC)c1 ZINC000052755981 520378125 /nfs/dbraw/zinc/37/81/25/520378125.db2.gz PWHLCTJRZAACMK-UHFFFAOYSA-N 0 0 274.389 3.814 10 0 CHAERN CCCOc1ccccc1Oc1cc(F)ccc1N ZINC000052122258 520486733 /nfs/dbraw/zinc/48/67/33/520486733.db2.gz MQKXWYKPLXKRPQ-UHFFFAOYSA-N 0 0 261.296 3.989 10 0 CHAERN CCN(CC)C(=O)[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000052684468 520518980 /nfs/dbraw/zinc/51/89/80/520518980.db2.gz KELNKRQOVKCYEC-SECBINFHSA-N 0 0 289.206 3.662 10 0 CHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccsc2)C12CCCC2 ZINC000150802361 520540063 /nfs/dbraw/zinc/54/00/63/520540063.db2.gz HZMOXUJKSHXRTK-KGLIPLIRSA-N 0 0 293.432 3.558 10 0 CHAERN CCC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000129038915 520612550 /nfs/dbraw/zinc/61/25/50/520612550.db2.gz KLKVMSVJRMMFJN-YPMHNXCESA-N 0 0 287.325 3.712 10 0 CHAERN CCOc1cc(C)ccc1N[C@@H](C)c1cn(C)nc1C ZINC000087409053 520689301 /nfs/dbraw/zinc/68/93/01/520689301.db2.gz JQYHUVNRBCZCMN-LBPRGKRZSA-N 0 0 273.380 3.609 10 0 CHAERN CCCCOC(=O)COc1cc(C(C)C)ccc1C ZINC000070135977 520712565 /nfs/dbraw/zinc/71/25/65/520712565.db2.gz RTKMKUDLROGLIK-UHFFFAOYSA-N 0 0 264.365 3.841 10 0 CHAERN CCCCOCCNc1cccc(C(F)(F)F)c1 ZINC000049261834 520784958 /nfs/dbraw/zinc/78/49/58/520784958.db2.gz ZSMINVGVLRRLCT-UHFFFAOYSA-N 0 0 261.287 3.934 10 0 CHAERN CCC[C@@H](O)[C@H](CC)n1c2ccccc2nc1CC ZINC000062807854 520809340 /nfs/dbraw/zinc/80/93/40/520809340.db2.gz WAYOPQHIYZZDIU-DZGCQCFKSA-N 0 0 260.381 3.711 10 0 CHAERN CCOc1ccc(-c2ncc(Br)s2)cc1 ZINC000057592974 520821516 /nfs/dbraw/zinc/82/15/16/520821516.db2.gz WUGZJKMZQSTOCO-UHFFFAOYSA-N 0 0 284.178 3.971 10 0 CHAERN CCC[C@@H]1CC[C@H](O)[C@H](Oc2cccc(F)c2F)C1 ZINC000062652654 520829881 /nfs/dbraw/zinc/82/98/81/520829881.db2.gz BKJQJAUEOLVAHQ-SCDSUCTJSA-N 0 0 270.319 3.673 10 0 CHAERN CCC[C@H](NCC(=O)OC(C)(C)C)c1cccs1 ZINC000049544399 521155324 /nfs/dbraw/zinc/15/53/24/521155324.db2.gz BBZTYTQJWHEYCX-NSHDSACASA-N 0 0 269.410 3.521 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000193342993 521157141 /nfs/dbraw/zinc/15/71/41/521157141.db2.gz ZUVSADFGRROBKW-DZGCQCFKSA-N 0 0 277.412 3.680 10 0 CHAERN CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](C)C(=O)[O-] ZINC000061218292 521304594 /nfs/dbraw/zinc/30/45/94/521304594.db2.gz JXMZKLLDKXEAML-ZDUSSCGKSA-N 0 0 277.408 3.527 10 0 CHAERN CCCc1nc2cc(F)cc(Br)c2o1 ZINC000062538120 521542258 /nfs/dbraw/zinc/54/22/58/521542258.db2.gz XXHXJFJZWVJOCP-UHFFFAOYSA-N 0 0 258.090 3.682 10 0 CHAERN CCCc1nnc(N[C@@H]2CCC[C@H]2SCC)s1 ZINC000301728421 521567692 /nfs/dbraw/zinc/56/76/92/521567692.db2.gz RBNARIARPPUDRN-NXEZZACHSA-N 0 0 271.455 3.577 10 0 CHAERN CCCN(CC)c1nc(-c2ccccc2)c(CO)s1 ZINC000055003113 521618834 /nfs/dbraw/zinc/61/88/34/521618834.db2.gz LWAPACVDWOMNGA-UHFFFAOYSA-N 0 0 276.405 3.539 10 0 CHAERN CCC(CC)n1ccc(CN[C@@H](C)c2ccc(C)o2)n1 ZINC000069992991 521640356 /nfs/dbraw/zinc/64/03/56/521640356.db2.gz LLXHHHJGVHCXAG-ZDUSSCGKSA-N 0 0 275.396 3.996 10 0 CHAERN CCNC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000119946002 521742750 /nfs/dbraw/zinc/74/27/50/521742750.db2.gz KNKLXYXINQDSIT-LURJTMIESA-N 0 0 279.142 3.513 10 0 CHAERN CC[C@H](C)Oc1cccc(NCC2CCOCC2)c1 ZINC000052172707 521780318 /nfs/dbraw/zinc/78/03/18/521780318.db2.gz ZUSHXPBFTKCEIR-ZDUSSCGKSA-N 0 0 263.381 3.702 10 0 CHAERN CC[C@@H](C)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000050424664 522005011 /nfs/dbraw/zinc/00/50/11/522005011.db2.gz QCZAXKWBOFJBNX-LLVKDONJSA-N 0 0 262.349 3.855 10 0 CHAERN CC[C@H](C)c1ccc2nc(C(F)F)cc(NN)c2c1 ZINC000061629901 522044452 /nfs/dbraw/zinc/04/44/52/522044452.db2.gz SCAUCIPTZBTODG-QMMMGPOBSA-N 0 0 265.307 3.972 10 0 CHAERN COC(=O)c1ccc(N)c(Oc2c(C)ccc(C)c2C)c1 ZINC000057595218 522075252 /nfs/dbraw/zinc/07/52/52/522075252.db2.gz YUMARIOXCXOPTM-UHFFFAOYSA-N 0 0 285.343 3.773 10 0 CHAERN COC[C@@H](C)C(=O)N([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000103372854 522169055 /nfs/dbraw/zinc/16/90/55/522169055.db2.gz IQMKPLKHSRUPLG-NEPJUHHUSA-N 0 0 295.810 3.675 10 0 CHAERN Cc1cnc([C@@H](C)NC(=O)c2ccc(C3CCC3)cc2)o1 ZINC000330115596 534617066 /nfs/dbraw/zinc/61/70/66/534617066.db2.gz UFYSISNGTYCCND-GFCCVEGCSA-N 0 0 284.359 3.742 10 0 CHAERN CC[C@@H](C)[C@](C)(O)c1ccccc1OC(F)(F)F ZINC000055192658 522411787 /nfs/dbraw/zinc/41/17/87/522411787.db2.gz PAIGIDPWILOEGD-SKDRFNHKSA-N 0 0 262.271 3.839 10 0 CHAERN CCc1nc2c(o1)c(C)cc(Br)c2C ZINC000062536929 522472252 /nfs/dbraw/zinc/47/22/52/522472252.db2.gz ISCVSPNGCUIXLU-UHFFFAOYSA-N 0 0 254.127 3.770 10 0 CHAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000156941650 522501633 /nfs/dbraw/zinc/50/16/33/522501633.db2.gz TWWXZALLKOKUHN-MCIONIFRSA-N 0 0 292.448 3.927 10 0 CHAERN CNc1nc(-c2ccc([C@@H]3C[C@H]3C)o2)nc(C)c1C ZINC000050865912 522673937 /nfs/dbraw/zinc/67/39/37/522673937.db2.gz FLEQBOZLDQPCMU-LDYMZIIASA-N 0 0 257.337 3.519 10 0 CHAERN CC[C@@H](Nc1cnn(CCOC)c1)c1cccc(Cl)c1 ZINC000037090614 522965271 /nfs/dbraw/zinc/96/52/71/522965271.db2.gz YTVYKDIUZLKOGU-OAHLLOKOSA-N 0 0 293.798 3.746 10 0 CHAERN CCc1nsc(Oc2ccc(C(C)=O)cc2Cl)n1 ZINC000120375495 522968471 /nfs/dbraw/zinc/96/84/71/522968471.db2.gz AJMIBYHSTDXBIT-UHFFFAOYSA-N 0 0 282.752 3.749 10 0 CHAERN CCc1sc([C@@H](C)Nc2cc(C)ncn2)cc1C ZINC000157772257 523074829 /nfs/dbraw/zinc/07/48/29/523074829.db2.gz FUDDGDDIROMSDP-LLVKDONJSA-N 0 0 261.394 3.890 10 0 CHAERN CCc1sc([C@H](C)Nc2nccc(C)n2)cc1C ZINC000157784734 523079338 /nfs/dbraw/zinc/07/93/38/523079338.db2.gz NRVWQEKHYDZFTN-NSHDSACASA-N 0 0 261.394 3.890 10 0 CHAERN CC[C@@H]1CCCN(c2nc(C(C)(C)C)c(CO)s2)C1 ZINC000055003396 523255758 /nfs/dbraw/zinc/25/57/58/523255758.db2.gz RWYUONVIHYLNSL-LLVKDONJSA-N 0 0 282.453 3.559 10 0 CHAERN COc1ccc(Br)cc1CC(=O)C1CCCC1 ZINC000049598225 523493961 /nfs/dbraw/zinc/49/39/61/523493961.db2.gz CFQIAFRLOPIVFM-UHFFFAOYSA-N 0 0 297.192 3.760 10 0 CHAERN CN(c1cccc(F)c1)c1cccc(Cl)c1C(N)=S ZINC000052907858 523646924 /nfs/dbraw/zinc/64/69/24/523646924.db2.gz NYBSJTFLJFTINB-UHFFFAOYSA-N 0 0 294.782 3.881 10 0 CHAERN CC[C@@](O)(Cc1ccc(F)cc1F)c1ccccc1 ZINC000050885530 523690186 /nfs/dbraw/zinc/69/01/86/523690186.db2.gz CXSZKGVGQUXDMO-MRXNPFEDSA-N 0 0 262.299 3.805 10 0 CHAERN CCc1c(C)nc(-c2cc(C)ccc2C)nc1NC ZINC000050864828 523709090 /nfs/dbraw/zinc/70/90/90/523709090.db2.gz ZGKPTMIZMQUAPA-UHFFFAOYSA-N 0 0 255.365 3.673 10 0 CHAERN CCc1cc(N)nc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000050866864 523789717 /nfs/dbraw/zinc/78/97/17/523789717.db2.gz FJUGRYFAOZJJLT-UHFFFAOYSA-N 0 0 255.365 3.586 10 0 CHAERN CC[C@H](C)CN(C)c1ccc([C@@H](C)O)cc1Cl ZINC000061695289 523871756 /nfs/dbraw/zinc/87/17/56/523871756.db2.gz XZNLGMUPSISIDJ-WDEREUQCSA-N 0 0 255.789 3.876 10 0 CHAERN Cc1ncc(CN[C@H]2CCCOc3c(C)cc(C)cc32)o1 ZINC000335281525 534744706 /nfs/dbraw/zinc/74/47/06/534744706.db2.gz SVWOVHPYHHRYSF-INIZCTEOSA-N 0 0 286.375 3.603 10 0 CHAERN CCc1ccc([C@@H](C)NCc2csc(C)n2)cc1 ZINC000035009847 524026817 /nfs/dbraw/zinc/02/68/17/524026817.db2.gz YEOQDVSRFQMFAX-LLVKDONJSA-N 0 0 260.406 3.865 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCSC)o1 ZINC000128353549 524034303 /nfs/dbraw/zinc/03/43/03/524034303.db2.gz ACKKKRJDOLFTOG-ZDUSSCGKSA-N 0 0 281.421 3.649 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc[nH]2)o1 ZINC000129442270 524035400 /nfs/dbraw/zinc/03/54/00/524035400.db2.gz ZLZFUNPRNBZFTM-AWEZNQCLSA-N 0 0 272.348 3.538 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cccn2C)o1 ZINC000128571652 524053438 /nfs/dbraw/zinc/05/34/38/524053438.db2.gz HMSIWLQIMXNSOJ-CQSZACIVSA-N 0 0 286.375 3.548 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccncc2)o1 ZINC000128315531 524053880 /nfs/dbraw/zinc/05/38/80/524053880.db2.gz KHVXTIGPTAVFQL-OAHLLOKOSA-N 0 0 284.359 3.604 10 0 CHAERN CCc1cccc(CC)c1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189203648 524069260 /nfs/dbraw/zinc/06/92/60/524069260.db2.gz GRGLXILLUZZOBF-DOMZBBRYSA-N 0 0 275.392 3.565 10 0 CHAERN Cc1ccc(C)c(N(C)C(=O)[C@@H]2C[C@@H]2c2ccco2)c1 ZINC000049374744 524116591 /nfs/dbraw/zinc/11/65/91/524116591.db2.gz JKMVCEPLEZLWFS-UONOGXRCSA-N 0 0 269.344 3.663 10 0 CHAERN COc1ccc(Cl)cc1C[C@H](O)c1ccccc1 ZINC000053783930 524213673 /nfs/dbraw/zinc/21/36/73/524213673.db2.gz YLPRQDTUDNMQNV-AWEZNQCLSA-N 0 0 262.736 3.625 10 0 CHAERN COc1ccc(Cl)cc1[C@@H](O)Cc1ccc(F)cc1 ZINC000055201654 524251374 /nfs/dbraw/zinc/25/13/74/524251374.db2.gz PVMJRCBETXDYQW-AWEZNQCLSA-N 0 0 280.726 3.764 10 0 CHAERN Cc1cc(C)c(C)c(Oc2nc(Cl)nc(Cl)n2)c1 ZINC000061517860 524251456 /nfs/dbraw/zinc/25/14/56/524251456.db2.gz FXACDUZOOWRAQV-UHFFFAOYSA-N 0 0 284.146 3.896 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N(C)c2cc(Cl)cc(Cl)c2)O1 ZINC000154786566 524328755 /nfs/dbraw/zinc/32/87/55/524328755.db2.gz CUVVRMRVOWVDGV-UFBFGSQYSA-N 0 0 288.174 3.524 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N2CCCC3(C2)CCCCCC3)O1 ZINC000157981084 524378791 /nfs/dbraw/zinc/37/87/91/524378791.db2.gz QQSGFHHMQZKZHW-LSDHHAIUSA-N 0 0 279.424 3.517 10 0 CHAERN Cc1ccc(CN(C)c2ccc(Cl)cc2C(N)=S)o1 ZINC000052858248 524401512 /nfs/dbraw/zinc/40/15/12/524401512.db2.gz YFWFDNMIWKZGDL-UHFFFAOYSA-N 0 0 294.807 3.512 10 0 CHAERN Cc1cccc(C[S@@](=O)Cc2ccc(N)cc2Cl)c1 ZINC000054966187 524470503 /nfs/dbraw/zinc/47/05/03/524470503.db2.gz QMQBJYNEBPHWBQ-IBGZPJMESA-N 0 0 293.819 3.680 10 0 CHAERN COc1ccccc1N(C)c1ccc(C=O)c(C)c1 ZINC000050575378 524526611 /nfs/dbraw/zinc/52/66/11/524526611.db2.gz VDRFMBAIXKCPFG-UHFFFAOYSA-N 0 0 255.317 3.584 10 0 CHAERN Cc1cc(C=O)c(C)n1[C@H]1CCCc2sccc21 ZINC000061363680 524609187 /nfs/dbraw/zinc/60/91/87/524609187.db2.gz BBXWUWFTOCDWQC-AWEZNQCLSA-N 0 0 259.374 3.905 10 0 CHAERN Cc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1C ZINC000117560836 524657703 /nfs/dbraw/zinc/65/77/03/524657703.db2.gz LJXKCGUPRAEGHW-GUYCJALGSA-N 0 0 281.355 3.807 10 0 CHAERN COc1ccccc1OCc1ccc(Cl)cc1N ZINC000050443527 524686168 /nfs/dbraw/zinc/68/61/68/524686168.db2.gz DANVONNJUMQWQU-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)C[C@H]2C)c2ccccc21 ZINC000252734740 524697070 /nfs/dbraw/zinc/69/70/70/524697070.db2.gz DOMQKSMQIALADI-GQGSAGHOSA-N 0 0 299.414 3.747 10 0 CHAERN Cc1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000156981783 524699089 /nfs/dbraw/zinc/69/90/89/524699089.db2.gz RYUYABDHZKVENL-QWRGUYRKSA-N 0 0 258.287 3.923 10 0 CHAERN Cc1cc(CNc2ccccc2[C@H](C)O)ccc1F ZINC000050545687 524791615 /nfs/dbraw/zinc/79/16/15/524791615.db2.gz JEAINVSDAQHZRF-LBPRGKRZSA-N 0 0 259.324 3.800 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)n1 ZINC000151451550 524847675 /nfs/dbraw/zinc/84/76/75/524847675.db2.gz IQNMCZQSMDEWPR-ZFWWWQNUSA-N 0 0 289.423 3.671 10 0 CHAERN Cc1ccc(F)cc1C(=O)c1c[nH]c2ccccc12 ZINC000062664720 524850957 /nfs/dbraw/zinc/85/09/57/524850957.db2.gz WCVATPBDTWEEHR-UHFFFAOYSA-N 0 0 253.276 3.846 10 0 CHAERN Cc1cc(Cl)cc(C)c1Oc1ccnc(C(N)=S)c1 ZINC000061813438 524861780 /nfs/dbraw/zinc/86/17/80/524861780.db2.gz QZUQGJHRFHKBFG-UHFFFAOYSA-N 0 0 292.791 3.778 10 0 CHAERN Cc1cc(Cl)ccc1OCCc1ccccc1N ZINC000052918924 524907647 /nfs/dbraw/zinc/90/76/47/524907647.db2.gz LDYOPXBFYSBRND-UHFFFAOYSA-N 0 0 261.752 3.852 10 0 CHAERN Cc1cc(F)ccc1CNc1cccc2c[nH]nc21 ZINC000050575870 524980331 /nfs/dbraw/zinc/98/03/31/524980331.db2.gz HRBLVDDDNQJJSN-UHFFFAOYSA-N 0 0 255.296 3.623 10 0 CHAERN Cc1cc(F)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117571221 524994143 /nfs/dbraw/zinc/99/41/43/524994143.db2.gz NIDBIZHMZJAEGX-MEDUHNTESA-N 0 0 285.318 3.637 10 0 CHAERN Cc1cc(N)cnc1Nc1ccc(F)c(Cl)c1 ZINC000052812548 525041364 /nfs/dbraw/zinc/04/13/64/525041364.db2.gz PIOSLYNLLBGRHR-UHFFFAOYSA-N 0 0 251.692 3.508 10 0 CHAERN C[C@@H](NC(=O)CC1CCOCC1)c1ccc2ccccc2c1 ZINC000117123838 525079494 /nfs/dbraw/zinc/07/94/94/525079494.db2.gz TVWRKYNSPRJGOV-CQSZACIVSA-N 0 0 297.398 3.834 10 0 CHAERN C[C@H](NC(=O)OCC(F)(F)F)c1cccc(Cl)c1 ZINC000087304903 525124783 /nfs/dbraw/zinc/12/47/83/525124783.db2.gz ZUTSEPVRXZGPFR-ZETCQYMHSA-N 0 0 281.661 3.690 10 0 CHAERN Cc1ccccc1CNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000244263139 525171227 /nfs/dbraw/zinc/17/12/27/525171227.db2.gz WNTADHBDZMYCQH-AWEZNQCLSA-N 0 0 296.418 3.633 10 0 CHAERN Cc1ccccc1COc1cc(F)ccc1[C@@H](C)O ZINC000062749406 525172432 /nfs/dbraw/zinc/17/24/32/525172432.db2.gz BCIDHEGKIROTPB-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN C[C@@H]1C[C@@H](C)CCN1c1ccc(C(N)=S)cc1Cl ZINC000062796096 525199698 /nfs/dbraw/zinc/19/96/98/525199698.db2.gz XXDOJPSGNXWTRL-VHSXEESVSA-N 0 0 282.840 3.599 10 0 CHAERN Cc1ccc(NC(=O)c2cccc3c2NCCC3)c(C)c1 ZINC000050957589 525244556 /nfs/dbraw/zinc/24/45/56/525244556.db2.gz GZRZWRYOIFGXCM-UHFFFAOYSA-N 0 0 280.371 3.914 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)NC(c1cccs1)c1cccs1 ZINC000125559534 525323187 /nfs/dbraw/zinc/32/31/87/525323187.db2.gz GRFBYFUJVVRKGB-ZJUUUORDSA-N 0 0 292.429 3.607 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)CCC(=O)c1ccccc1 ZINC000023524640 525408256 /nfs/dbraw/zinc/40/82/56/525408256.db2.gz LIGPQHWCOSFBQL-HNNXBMFYSA-N 0 0 295.382 3.835 10 0 CHAERN C[C@@H]1Cc2cc(-c3ccc4c(c3)CCN4)ccc2O1 ZINC000052898462 525515266 /nfs/dbraw/zinc/51/52/66/525515266.db2.gz CPYICBHDCXKZBY-LLVKDONJSA-N 0 0 251.329 3.645 10 0 CHAERN C[C@H](Nc1ccc(N)nc1)c1ccc(Br)cc1 ZINC000049525075 525656375 /nfs/dbraw/zinc/65/63/75/525656375.db2.gz IFVVDOCKRIERPH-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN C[C@H](Nc1ccccc1-n1cncn1)c1ccsc1 ZINC000050341837 525671730 /nfs/dbraw/zinc/67/17/30/525671730.db2.gz JNKWMPJYSGKAIX-NSHDSACASA-N 0 0 270.361 3.502 10 0 CHAERN C[C@H](Nc1ncnc(N)c1Cl)c1ccc(Cl)cc1 ZINC000227842517 525684793 /nfs/dbraw/zinc/68/47/93/525684793.db2.gz AJTHNSAYOUAMIK-ZETCQYMHSA-N 0 0 283.162 3.539 10 0 CHAERN C[C@H](Nc1ncnc(N)c1Cl)c1cccc(Cl)c1 ZINC000227842464 525686159 /nfs/dbraw/zinc/68/61/59/525686159.db2.gz QAQCLEKBQFTONH-ZETCQYMHSA-N 0 0 283.162 3.539 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CCO[C@@H](C)CC(C)C)o1 ZINC000087104779 525693207 /nfs/dbraw/zinc/69/32/07/525693207.db2.gz XMUOAEJJTWQTAR-UONOGXRCSA-N 0 0 281.396 3.607 10 0 CHAERN Cc1ccc([C@@H](C)N[C@H](C)c2nc3ccccc3n2C)o1 ZINC000036960061 525748076 /nfs/dbraw/zinc/74/80/76/525748076.db2.gz MXKNQMICFDXBML-CHWSQXEVSA-N 0 0 283.375 3.887 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cc(C)nc(Cl)n2)o1 ZINC000052814628 525752348 /nfs/dbraw/zinc/75/23/48/525752348.db2.gz SURCNDVUUIZBMJ-SECBINFHSA-N 0 0 251.717 3.513 10 0 CHAERN Cc1c(N)cccc1C[S@@](=O)c1cccc(Cl)c1 ZINC000054186087 525819944 /nfs/dbraw/zinc/81/99/44/525819944.db2.gz IUOWRYZZASYLHN-SFHVURJKSA-N 0 0 279.792 3.538 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCCCC2)c(Br)c1 ZINC000061694699 525867788 /nfs/dbraw/zinc/86/77/88/525867788.db2.gz CNZKSKRSADBZGR-LLVKDONJSA-N 0 0 298.224 3.883 10 0 CHAERN C[C@@H](O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000061694924 525869480 /nfs/dbraw/zinc/86/94/80/525869480.db2.gz JYFJEOPBMGLUMN-SDDRHHMPSA-N 0 0 267.800 3.876 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCCOc2ccccc2)o1 ZINC000057464925 525888333 /nfs/dbraw/zinc/88/83/33/525888333.db2.gz ITMLTNXLMSEKPK-AWEZNQCLSA-N 0 0 287.359 3.624 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)Cc2cccs2)o1 ZINC000077687907 525901349 /nfs/dbraw/zinc/90/13/49/525901349.db2.gz JTCUYKMPYAPQQA-JQWIXIFHSA-N 0 0 292.404 3.641 10 0 CHAERN Cc1ccc([C@H](C)Nc2c(F)c(F)nc(F)c2F)o1 ZINC000094628121 525948492 /nfs/dbraw/zinc/94/84/92/525948492.db2.gz MGGWZCIHBIQMAB-LURJTMIESA-N 0 0 274.217 3.713 10 0 CHAERN Cc1ccc(Br)c(C(=O)N[C@H](C)C(C)C)c1 ZINC000126416924 525979911 /nfs/dbraw/zinc/97/99/11/525979911.db2.gz UXOVYMXDRJMEPD-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN CSc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1Cl ZINC000159330373 526037699 /nfs/dbraw/zinc/03/76/99/526037699.db2.gz JTKAURPDHRDBOM-GZMMTYOYSA-N 0 0 285.796 3.568 10 0 CHAERN Cc1cc(-c2nn(C)c(N)c2-c2cccs2)c(C)o1 ZINC000052901537 526056470 /nfs/dbraw/zinc/05/64/70/526056470.db2.gz FDKFLHQYAVRBGH-UHFFFAOYSA-N 0 0 273.361 3.608 10 0 CHAERN Cc1cc(C(=O)Cc2ccc(F)cc2F)ccc1F ZINC000050885679 526215465 /nfs/dbraw/zinc/21/54/65/526215465.db2.gz PLXUWFAKOJQEEH-UHFFFAOYSA-N 0 0 264.246 3.838 10 0 CHAERN Fc1cc(F)c(F)c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000061098580 526305801 /nfs/dbraw/zinc/30/58/01/526305801.db2.gz YKSRAYHAKRIWLG-KXUCPTDWSA-N 0 0 253.267 3.728 10 0 CHAERN Fc1ccc(C(F)(F)F)cc1NCc1ccc[nH]1 ZINC000062655744 526325975 /nfs/dbraw/zinc/32/59/75/526325975.db2.gz NDGASOPSXIEUSA-UHFFFAOYSA-N 0 0 258.218 3.785 10 0 CHAERN Fc1ccc(Nc2nc(Cl)nc(Cl)n2)c(Cl)c1 ZINC000061517963 526356357 /nfs/dbraw/zinc/35/63/57/526356357.db2.gz JQLBOGIUHJXTSV-UHFFFAOYSA-N 0 0 293.516 3.715 10 0 CHAERN Cc1nnc(N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000077165522 526373203 /nfs/dbraw/zinc/37/32/03/526373203.db2.gz NPWXVPXIHVNDNK-ZETCQYMHSA-N 0 0 253.758 3.673 10 0 CHAERN Cc1nnc(N[C@H](C)c2ccc(F)c(Cl)c2)s1 ZINC000077193185 526373795 /nfs/dbraw/zinc/37/37/95/526373795.db2.gz KALZJBUWDSZLGE-ZCFIWIBFSA-N 0 0 271.748 3.812 10 0 CHAERN O=c1[nH]c2c(cc(Cl)c(Br)c2Cl)o1 ZINC000062558213 526379478 /nfs/dbraw/zinc/37/94/78/526379478.db2.gz RXMAIQPMLJXANQ-UHFFFAOYSA-N 0 0 282.908 3.603 10 0 CHAERN c1n[nH]c2cc(NCc3c[nH]c4ccccc34)ccc12 ZINC000049136670 526590484 /nfs/dbraw/zinc/59/04/84/526590484.db2.gz BWEOKUFRLOGHGU-UHFFFAOYSA-N 0 0 262.316 3.656 10 0 CHAERN Cc1nc(-c2ccccc2Cl)nc(NN)c1C(C)C ZINC000061688988 526606731 /nfs/dbraw/zinc/60/67/31/526606731.db2.gz QPLMSJIWVKIGFC-UHFFFAOYSA-N 0 0 276.771 3.514 10 0 CHAERN O=C(c1ccc(O)cc1)c1cc(Cl)ccc1Cl ZINC000062723645 526703695 /nfs/dbraw/zinc/70/36/95/526703695.db2.gz BVTAAMCWUFECHC-UHFFFAOYSA-N 0 0 267.111 3.930 10 0 CHAERN O=C1CCCC[C@H]1CCOc1ccc(Br)cc1 ZINC000049596757 526972555 /nfs/dbraw/zinc/97/25/55/526972555.db2.gz HGWNETBRKXXDIY-NSHDSACASA-N 0 0 297.192 3.977 10 0 CHAERN Clc1cccc(NCCCn2ccnc2)c1Cl ZINC000049327866 526980984 /nfs/dbraw/zinc/98/09/84/526980984.db2.gz HFQXOAZOBFBLMN-UHFFFAOYSA-N 0 0 270.163 3.692 10 0 CHAERN Cc1nc([C@@H](C)Nc2ccccc2[C@H](C)O)cs1 ZINC000049542887 527036160 /nfs/dbraw/zinc/03/61/60/527036160.db2.gz YRWFLKSWSQIFNJ-ZJUUUORDSA-N 0 0 262.378 3.678 10 0 CHAERN NC(=S)CCCCOc1ccc(C(F)(F)F)cc1 ZINC000049583151 527107654 /nfs/dbraw/zinc/10/76/54/527107654.db2.gz UQKUCQZTDGGACS-UHFFFAOYSA-N 0 0 277.311 3.541 10 0 CHAERN Cn1cc([C@H]2CCCN2Cc2ccc(Cl)cc2F)cn1 ZINC000189001096 527317199 /nfs/dbraw/zinc/31/71/99/527317199.db2.gz ZWEKTRNHEMPHKV-OAHLLOKOSA-N 0 0 293.773 3.550 10 0 CHAERN O=[N+]([O-])/C(=C\c1ccc(Cl)o1)Cc1ccccc1 ZINC000054687635 527319093 /nfs/dbraw/zinc/31/90/93/527319093.db2.gz XBLLEIWGSCBLTJ-LUAWRHEFSA-N 0 0 263.680 3.793 10 0 CHAERN Nc1cc(Br)ccc1OCc1cccs1 ZINC000049584497 527441911 /nfs/dbraw/zinc/44/19/11/527441911.db2.gz ZCQJSEWDFVEHAT-UHFFFAOYSA-N 0 0 284.178 3.672 10 0 CHAERN Nc1ccc(Br)cc1-c1nc2ccccc2o1 ZINC000050208648 527466691 /nfs/dbraw/zinc/46/66/91/527466691.db2.gz IWTHEJNCRJEXND-UHFFFAOYSA-N 0 0 289.132 3.840 10 0 CHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)o1 ZINC000027897379 527498302 /nfs/dbraw/zinc/49/83/02/527498302.db2.gz XGTXHOKECJGHKC-UHFFFAOYSA-N 0 0 295.688 3.784 10 0 CHAERN Cc1ncsc1[C@@H](C)Nc1ccccc1[C@@H](C)O ZINC000049543107 527517402 /nfs/dbraw/zinc/51/74/02/527517402.db2.gz LKWNADKNAILCCO-GHMZBOCLSA-N 0 0 262.378 3.678 10 0 CHAERN Nc1ccccc1NCc1ccc(C(F)(F)F)cc1 ZINC000061626247 527529350 /nfs/dbraw/zinc/52/93/50/527529350.db2.gz FKMULVHTBMDORC-UHFFFAOYSA-N 0 0 266.266 3.900 10 0 CHAERN Cn1nc(C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1 ZINC000299889638 527547658 /nfs/dbraw/zinc/54/76/58/527547658.db2.gz MDZYRZSDISSXID-UHFFFAOYSA-N 0 0 292.766 3.696 10 0 CHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC2(CCC2)C1 ZINC000157875007 527628819 /nfs/dbraw/zinc/62/88/19/527628819.db2.gz MSXZDOSILZRIBK-BQYQJAHWSA-N 0 0 292.382 3.651 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1NCc1c[nH]cn1 ZINC000054763137 527680263 /nfs/dbraw/zinc/68/02/63/527680263.db2.gz NSAJKCIYIJIGSJ-UHFFFAOYSA-N 0 0 275.661 3.694 10 0 CHAERN O[C@@]1(c2cc(F)ccc2F)CCCc2ccccc21 ZINC000055242432 527682342 /nfs/dbraw/zinc/68/23/42/527682342.db2.gz HAXMFPLHAFQZOG-INIZCTEOSA-N 0 0 260.283 3.537 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(N(C)C)c(Cl)c1 ZINC000087409108 527700304 /nfs/dbraw/zinc/70/03/04/527700304.db2.gz SJPNMBPWNLQAAP-JTQLQIEISA-N 0 0 292.814 3.621 10 0 CHAERN CC1(c2nc(CC3=CCCCC3)no2)CCC(=O)CC1 ZINC000333830661 528064911 /nfs/dbraw/zinc/06/49/11/528064911.db2.gz LMLJEAUNCLYVAI-UHFFFAOYSA-N 0 0 274.364 3.513 10 0 CHAERN CC(C)n1cc(Nc2ccc(-c3ccc(F)cc3)nn2)cn1 ZINC000301142212 528571694 /nfs/dbraw/zinc/57/16/94/528571694.db2.gz GSKWCZRNLBPRQP-UHFFFAOYSA-N 0 0 297.337 3.804 10 0 CHAERN CCCc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113889176 528616661 /nfs/dbraw/zinc/61/66/61/528616661.db2.gz ONUCMIYKVWWVHH-KRWDZBQOSA-N 0 0 297.402 3.730 10 0 CHAERN C[C@@H]1CCn2cc(-c3ccc(Br)cc3)nc2C1 ZINC000258457755 567931114 /nfs/dbraw/zinc/93/11/14/567931114.db2.gz PSXALDWMJDTNMX-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN C[C@H]1CC[C@](O)(c2ccccc2Br)CS1 ZINC000521401880 570340381 /nfs/dbraw/zinc/34/03/81/570340381.db2.gz SCYGLWVKKBFGFW-JOYOIKCWSA-N 0 0 287.222 3.552 10 0 CHAERN CC(C)c1nn2c(c1Br)NCC[C@H]2C1CC1 ZINC000232804394 570411061 /nfs/dbraw/zinc/41/10/61/570411061.db2.gz PTRBGIFTEOZUQM-VIFPVBQESA-N 0 0 284.201 3.536 10 0 CHAERN COC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000065748267 566880175 /nfs/dbraw/zinc/88/01/75/566880175.db2.gz CKASUARKSBQLEP-LFYQSXPISA-N 0 0 282.424 3.543 10 0 in-vitro CHAERN CC(C)(C)OC(=O)CC1(ON)CCC(C(C)(C)C)CC1 ZINC000675053690 566938297 /nfs/dbraw/zinc/93/82/97/566938297.db2.gz KGKSNABJFXKMAZ-UHFFFAOYSA-N 0 0 285.428 3.584 10 0 CHAERN Clc1cccc(NC2CCOCC2)c1N1CCCC1 ZINC000065429699 567007752 /nfs/dbraw/zinc/00/77/52/567007752.db2.gz SUGRXOGKERQNIR-UHFFFAOYSA-N 0 0 280.799 3.531 10 0 CHAERN C[C@H]1CO[C@@]2(C1)OC(=O)c1c2ccc2c1CCCC2(C)C ZINC000013411137 567019859 /nfs/dbraw/zinc/01/98/59/567019859.db2.gz HUTQFIYQAWCICW-ZMZPIMSZSA-N 0 0 286.371 3.680 10 0 biogenic CHAERN CC(C)n1cc(O[C@@H]2CCC[C@@H]3C[C@H]3CCC[C@@H]2O)cn1 ZINC000675061107 567022990 /nfs/dbraw/zinc/02/29/90/567022990.db2.gz XWDZVMXEJSXYQR-TXCZRRACSA-N 0 0 292.423 3.563 10 0 CHAERN Nc1ccc(-c2ccc(Br)cc2)c(F)c1 ZINC000083826746 567028222 /nfs/dbraw/zinc/02/82/22/567028222.db2.gz ZORNFPSLQHWWJU-UHFFFAOYSA-N 0 0 266.113 3.837 10 0 CHAERN C=C/C(=C\C=C(/C)OC)C(=O)NCc1ccc(C)cc1C ZINC000048533146 567090720 /nfs/dbraw/zinc/09/07/20/567090720.db2.gz SYQWREXDEOLHDK-FAYHMPLTSA-N 0 0 285.387 3.582 10 0 CHAERN CCOC(=O)/C(C#N)=C/c1ccc(-c2ccsc2)s1 ZINC000048545082 567091009 /nfs/dbraw/zinc/09/10/09/567091009.db2.gz PGDUIWMEMVZMLX-YRNVUSSQSA-N 0 0 289.381 3.947 10 0 CHAERN CC(=O)Oc1cc2c(c3ccccc13)-c1ccccc1C2=O ZINC000048533888 567091320 /nfs/dbraw/zinc/09/13/20/567091320.db2.gz VYZREIBHZVBUGK-UHFFFAOYSA-N 0 0 288.302 3.977 10 0 CHAERN Cn1c(-c2ccccc2)csc1=NC1CCCCC1 ZINC000000073124 567817589 /nfs/dbraw/zinc/81/75/89/567817589.db2.gz BAEAXTMZMNLILA-UHFFFAOYSA-O 0 0 273.425 3.984 10 0 CHAERN Cc1nn(C(=O)C2CC2)c(C)c1Oc1ccc(Cl)cc1 ZINC000000124151 567819042 /nfs/dbraw/zinc/81/90/42/567819042.db2.gz WRBUGQZESUREMP-UHFFFAOYSA-N 0 0 290.750 3.996 10 0 CHAERN Cc1cc(C(=O)c2ccc(Cl)cc2)c(N)s1 ZINC000000415523 567830028 /nfs/dbraw/zinc/83/00/28/567830028.db2.gz DEKFABDILAWJIA-UHFFFAOYSA-N 0 0 251.738 3.523 10 0 CHAERN Clc1ccc([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000712590900 567851923 /nfs/dbraw/zinc/85/19/23/567851923.db2.gz OZRLKQYZVZQTLN-SNVBAGLBSA-N 0 0 255.795 3.698 10 0 CHAERN CC[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013468196 567866324 /nfs/dbraw/zinc/86/63/24/567866324.db2.gz OKNRTYWYWMOJGO-YDZRNGNQSA-N 0 0 281.399 3.849 10 0 CHAERN CC[C@H]1[C@@H](O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000013468198 567866342 /nfs/dbraw/zinc/86/63/42/567866342.db2.gz OKNRTYWYWMOJGO-CADBVGFASA-N 0 0 281.399 3.849 10 0 CHAERN O[C@@]1(c2ccccc2)CC[C@H]2[C@H]1CC[C@@]2(O)c1ccccc1 ZINC000013464283 567866448 /nfs/dbraw/zinc/86/64/48/567866448.db2.gz BGPALYKOUQFTBY-IYWMVGAKSA-N 0 0 294.394 3.582 10 0 CHAERN O[C@]1(c2ccccc2)CC[C@H]2[C@@H]1CC[C@@]2(O)c1ccccc1 ZINC000017837528 567876276 /nfs/dbraw/zinc/87/62/76/567876276.db2.gz BGPALYKOUQFTBY-LWYYNNOASA-N 0 0 294.394 3.582 10 0 CHAERN Fc1cccc(-c2cn3cccc(Br)c3n2)c1 ZINC000136550527 567899664 /nfs/dbraw/zinc/89/96/64/567899664.db2.gz YLLWXYFZZDBODW-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN Cc1c(Br)c(-c2cccnc2)nn1CC(C)C ZINC000409442767 567899898 /nfs/dbraw/zinc/89/98/98/567899898.db2.gz ADVJDFILJYDMQL-UHFFFAOYSA-N 0 0 294.196 3.672 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCCS2)n1 ZINC000299748119 567905726 /nfs/dbraw/zinc/90/57/26/567905726.db2.gz GCUHYKVVONWIBB-AXFHLTTASA-N 0 0 282.409 3.556 10 0 CHAERN CC1(C)CC(=O)c2cc(Br)cc(Cl)c2O1 ZINC000082163837 567906890 /nfs/dbraw/zinc/90/68/90/567906890.db2.gz RLTCBQVTTCJCJV-UHFFFAOYSA-N 0 0 289.556 3.846 10 0 CHAERN C[Si](C)(C)CCSCc1nccn1C(F)F ZINC000725245292 567908342 /nfs/dbraw/zinc/90/83/42/567908342.db2.gz GNZKHYIYMUDIMD-UHFFFAOYSA-N 0 0 264.417 3.850 10 0 CHAERN CCc1c(C)cc2nc([C@H](C)CC)nn2c1Br ZINC000725247905 567908429 /nfs/dbraw/zinc/90/84/29/567908429.db2.gz CSLIPVOOUUWRLK-MRVPVSSYSA-N 0 0 296.212 3.876 10 0 CHAERN CCc1cc2nc(C[C@H](C)CC)nn2c(Cl)c1 ZINC000725246507 567908516 /nfs/dbraw/zinc/90/85/16/567908516.db2.gz OJCINMHMGSCECO-SECBINFHSA-N 0 0 251.761 3.534 10 0 CHAERN CC(C)c1ccc(-n2ccc(Br)n2)cc1 ZINC000725247745 567908519 /nfs/dbraw/zinc/90/85/19/567908519.db2.gz WJJYOSZOOGXRRC-UHFFFAOYSA-N 0 0 265.154 3.758 10 0 CHAERN CCCCn1nc2c(c1N)C[C@H](C(C)(C)CC)CC2 ZINC000725265415 567923335 /nfs/dbraw/zinc/92/33/35/567923335.db2.gz AOVSBJTXMSTUMP-GFCCVEGCSA-N 0 0 263.429 3.807 10 0 CHAERN CCc1cccc2c1N[C@@H](C1CCCCC1)[C@H](O)C2 ZINC000725268329 567924072 /nfs/dbraw/zinc/92/40/72/567924072.db2.gz MMJNZUVJGYYFJI-WBVHZDCISA-N 0 0 259.393 3.527 10 0 CHAERN CCc1ccc2c(c1)C[C@@H](O)[C@@H](C1CCCCC1)N2 ZINC000725267992 567924228 /nfs/dbraw/zinc/92/42/28/567924228.db2.gz DVSLHNXDKYOHBH-IAGOWNOFSA-N 0 0 259.393 3.527 10 0 CHAERN CCn1cc(C(F)F)c(-c2ccc(F)c(F)c2)n1 ZINC000725270433 567924847 /nfs/dbraw/zinc/92/48/47/567924847.db2.gz MXHTXVSDYOAKHI-UHFFFAOYSA-N 0 0 258.218 3.786 10 0 CHAERN CC(C)(C)NC(=O)[C@@H]1c2ccccc2N[C@H]2CCCC[C@@H]21 ZINC000097955310 567943546 /nfs/dbraw/zinc/94/35/46/567943546.db2.gz VYMJEYTYHHZTTH-CWRNSKLLSA-N 0 0 286.419 3.669 10 0 CHAERN CC(=O)c1cc(F)ccc1Oc1cncc(Cl)c1 ZINC000081699681 567953697 /nfs/dbraw/zinc/95/36/97/567953697.db2.gz SDAZCOKSNOYBHF-UHFFFAOYSA-N 0 0 265.671 3.869 10 0 CHAERN COc1cccc(-c2cnc(F)c(C(F)(F)F)c2)c1 ZINC000584880444 570228666 /nfs/dbraw/zinc/22/86/66/570228666.db2.gz BWZUXSVZAJOLPF-UHFFFAOYSA-N 0 0 271.213 3.915 10 0 CHAERN Cc1cc(Br)c2ncc(N)cc2c1Cl ZINC000584882166 570229444 /nfs/dbraw/zinc/22/94/44/570229444.db2.gz QYNJUJRHXALQGN-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN Cc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1 ZINC000409432699 570245168 /nfs/dbraw/zinc/24/51/68/570245168.db2.gz XJIPKEXAWYMSLF-UHFFFAOYSA-N 0 0 253.132 3.683 10 0 CHAERN CCc1c(C)cc2nc(C(C)(C)C)nn2c1Cl ZINC000725243007 570255154 /nfs/dbraw/zinc/25/51/54/570255154.db2.gz FMIXGDCHYHYGPA-UHFFFAOYSA-N 0 0 251.761 3.551 10 0 CHAERN CC[C@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243014 570255172 /nfs/dbraw/zinc/25/51/72/570255172.db2.gz FQDAVXCSUZNRQP-ZETCQYMHSA-N 0 0 291.704 3.990 10 0 CHAERN CCO/C=C(\C)C(=O)c1cccc(Br)c1 ZINC000389613481 570273786 /nfs/dbraw/zinc/27/37/86/570273786.db2.gz PNMMGJAFOBZMIJ-CMDGGOBGSA-N 0 0 269.138 3.572 10 0 CHAERN Nc1ccc2nc(SCc3cccnc3)sc2c1 ZINC000042141722 570272408 /nfs/dbraw/zinc/27/24/08/570272408.db2.gz NRSJUGROITVZMV-UHFFFAOYSA-N 0 0 273.386 3.566 10 0 CHAERN Clc1cccc(-c2cc(Br)ncn2)c1 ZINC000160924408 570301410 /nfs/dbraw/zinc/30/14/10/570301410.db2.gz UVNZRAIKRBCGRP-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1ccc(-c2ncc(NC(=O)CC(C)(C)C)cn2)cc1 ZINC000097938514 570317969 /nfs/dbraw/zinc/31/79/69/570317969.db2.gz ZUOIIVZWBFONAU-UHFFFAOYSA-N 0 0 283.375 3.827 10 0 CHAERN CC(C)c1nn(C)cc1-c1ccc(Br)cc1 ZINC000675069949 570366631 /nfs/dbraw/zinc/36/66/31/570366631.db2.gz NGKZYXXEWIIRAC-UHFFFAOYSA-N 0 0 279.181 3.973 10 0 CHAERN CCC[C@@]1(C)C(=O)[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384202 570352844 /nfs/dbraw/zinc/35/28/44/570352844.db2.gz QDDUWRUCAKPVDV-IIYDPXPESA-N 0 0 295.423 3.781 10 0 CHAERN Fc1cc(-c2cnc(Cl)cn2)ccc1Br ZINC000669382952 570352857 /nfs/dbraw/zinc/35/28/57/570352857.db2.gz ONTNFCOPEGIHDD-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN CCOC(=O)/C(F)=C(\F)c1ccc(Br)cc1 ZINC000026897081 570356761 /nfs/dbraw/zinc/35/67/61/570356761.db2.gz FFHLALZOYPQECY-MDZDMXLPSA-N 0 0 291.091 3.620 10 0 CHAERN CCC(CC)N=[S@@](=O)(c1cccc(N)c1)N(CC)CC ZINC000675074649 570367391 /nfs/dbraw/zinc/36/73/91/570367391.db2.gz HDIQWVVDTVBYFZ-FQEVSTJZSA-N 0 0 297.468 3.541 10 0 CHAERN COc1ccccc1-n1cc(-c2ccccc2)sc1=N ZINC000198716591 570380368 /nfs/dbraw/zinc/38/03/68/570380368.db2.gz ZDKNYDFHDFOSCM-UHFFFAOYSA-N 0 0 282.368 3.694 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1/C=C/Br ZINC000606297612 570408387 /nfs/dbraw/zinc/40/83/87/570408387.db2.gz IWRVSZNWWUMXDN-JARNTUPDSA-N 0 0 290.201 3.685 10 0 CHAERN CCC[C@H](C)c1nn2c(c1Br)N[C@@H](C)CC2 ZINC000233342348 570411283 /nfs/dbraw/zinc/41/12/83/570411283.db2.gz LRQUEOFMVNQMPA-IUCAKERBSA-N 0 0 286.217 3.753 10 0 CHAERN CCCc1nn2c(c1Br)NC[C@@H](C)[C@H]2CC ZINC000233389354 570411434 /nfs/dbraw/zinc/41/14/34/570411434.db2.gz YTTRKBMVIPTCSU-PSASIEDQSA-N 0 0 286.217 3.611 10 0 CHAERN Cc1ccc(Br)c2c(Cl)ccnc12 ZINC000037369349 570411725 /nfs/dbraw/zinc/41/17/25/570411725.db2.gz PMUBCBSGOUMVIZ-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CC(C)(C)OC(=O)O[C@H]1CCCC=C1C(=O)OC(C)(C)C ZINC000950757174 613999472 /nfs/dbraw/zinc/99/94/72/613999472.db2.gz DKHFFNFRWNNACH-LBPRGKRZSA-N 0 0 298.379 3.759 10 0 CHAERN C[C@@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000689152665 976233547 /nfs/dbraw/zinc/23/35/47/976233547.db2.gz GGHHUWJLYVUJBG-SECBINFHSA-N 0 0 295.791 3.951 10 0 CHAERN C[C@H](Cc1cccs1)[N@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000689154399 976233881 /nfs/dbraw/zinc/23/38/81/976233881.db2.gz MJNXRMWRIVFHJS-SNVBAGLBSA-N 0 0 295.429 3.571 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000701825585 977045202 /nfs/dbraw/zinc/04/52/02/977045202.db2.gz HMKHUGFZDWWEBS-LBPRGKRZSA-N 0 0 289.400 3.948 10 0 CHAERN Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])s2)c1 ZINC000706233825 977311170 /nfs/dbraw/zinc/31/11/70/977311170.db2.gz FIWMNGUVRUBYTR-LBPRGKRZSA-N 0 0 289.400 3.914 10 0 CHAERN CCCC[C@@H](C(=O)[O-])[NH+]1CCC(C2CCCCC2)CC1 ZINC000708784527 977443144 /nfs/dbraw/zinc/44/31/44/977443144.db2.gz NIUCPQMFLFUCLT-INIZCTEOSA-N 0 0 281.440 3.922 10 0 CHAERN C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708820941 977444666 /nfs/dbraw/zinc/44/46/66/977444666.db2.gz FFOGOJRACZYHDD-DGCLKSJQSA-N 0 0 277.364 3.551 10 0 CHAERN Cc1nc([C@@H]2CCCN2CCOc2ccccc2)cs1 ZINC000189805412 1126935280 /nfs/dbraw/zinc/93/52/80/1126935280.db2.gz RDEMPYBKXKGYLQ-INIZCTEOSA-N 0 0 288.416 3.667 10 0 CHAERN O=C(c1cccc2[nH]ccc21)N1CCC12CCCCC2 ZINC000373046509 1127821139 /nfs/dbraw/zinc/82/11/39/1127821139.db2.gz AQEVBRDHJHTRLD-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCCC12CCCC2 ZINC000312485548 1118035211 /nfs/dbraw/zinc/03/52/11/1118035211.db2.gz JEXMSRPUZAFGNF-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ncccc1Cl ZINC000588394882 1118524005 /nfs/dbraw/zinc/52/40/05/1118524005.db2.gz YMGINEFZOQVXEJ-KTKRTIGZSA-N 0 0 290.725 3.916 10 0 CHAERN O=C(/C=C\c1ccc(O)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000588416844 1118611066 /nfs/dbraw/zinc/61/10/66/1118611066.db2.gz VHDLIFZLUUWZJZ-KWEPMOPPSA-N 0 0 297.398 3.754 10 0 CHAERN CCC[C@H]1CCCCN1C(=O)/C=C\c1ccnc(Cl)c1 ZINC000588443175 1118751394 /nfs/dbraw/zinc/75/13/94/1118751394.db2.gz FFBJXFCHOJFYSF-DANTVBBOSA-N 0 0 292.810 3.929 10 0 CHAERN CCN(C(=O)/C=C\c1ncccc1C)c1ccc(F)cc1 ZINC000588451635 1118796979 /nfs/dbraw/zinc/79/69/79/1118796979.db2.gz IHFCCGIWJDVOPL-KHPPLWFESA-N 0 0 284.334 3.595 10 0 CHAERN C/C=C(/CC)C(=O)NCc1ccccc1OC1CCC1 ZINC000588572569 1119329747 /nfs/dbraw/zinc/32/97/47/1119329747.db2.gz XUZCPGFZRVIRKC-DXNYSGJVSA-N 0 0 273.376 3.590 10 0 CHAERN Fc1ccc2oc(/C(Cl)=C\c3cocn3)nc2c1 ZINC000588579260 1119378975 /nfs/dbraw/zinc/37/89/75/1119378975.db2.gz PQXOEEXLCBQDSM-RUDMXATFSA-N 0 0 264.643 3.692 10 0 CHAERN Cc1cc(F)ccc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000101588011 1119666155 /nfs/dbraw/zinc/66/61/55/1119666155.db2.gz OMUHYQNYVWSCJL-KRWDZBQOSA-N 0 0 296.345 3.863 10 0 CHAERN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1O ZINC000001903719 1122759081 /nfs/dbraw/zinc/75/90/81/1122759081.db2.gz GGMRDBUNZOEEKX-MDZDMXLPSA-N 0 0 273.719 3.698 10 0 CHAERN O=C(C[C@@H]1C=CCC1)OCc1nc(Cl)ccc1Cl ZINC000102155641 1122886369 /nfs/dbraw/zinc/88/63/69/1122886369.db2.gz MIVMXCAECMYPSF-SECBINFHSA-N 0 0 286.158 3.788 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1CCC12CCCCC2 ZINC000366784006 1122963941 /nfs/dbraw/zinc/96/39/41/1122963941.db2.gz BKPDHVOKWZLDMP-UHFFFAOYSA-N 0 0 268.360 3.717 10 0 CHAERN Cc1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1F ZINC000105414421 1123051018 /nfs/dbraw/zinc/05/10/18/1123051018.db2.gz RVZJTOMIZGAQCA-CQSZACIVSA-N 0 0 290.725 3.642 10 0 CHAERN CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191609425 1123177835 /nfs/dbraw/zinc/17/78/35/1123177835.db2.gz HMYWHOUPABKAJV-SLEUVZQESA-N 0 0 290.407 3.503 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCO1 ZINC000102614171 1123588020 /nfs/dbraw/zinc/58/80/20/1123588020.db2.gz UPFDCIFKXUGNOY-HNNXBMFYSA-N 0 0 295.810 3.648 10 0 CHAERN CC1(C)CCC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000103228241 1123783388 /nfs/dbraw/zinc/78/33/88/1123783388.db2.gz NUMFEBIDNAPROR-UHFFFAOYSA-N 0 0 292.329 3.994 10 0 CHAERN CC1CCC(C)(NC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000192478457 1125333304 /nfs/dbraw/zinc/33/33/04/1125333304.db2.gz XUZMDWLOBTVFGU-DBQDNQAGSA-N 0 0 286.419 3.587 10 0 CHAERN CS[C@@H](C)C(=O)OCCCc1nc2ccccc2s1 ZINC000103336259 1129745526 /nfs/dbraw/zinc/74/55/26/1129745526.db2.gz RXVPDKMRZWMFRW-JTQLQIEISA-N 0 0 295.429 3.524 10 0 CHAERN Cc1cc(C)c2cc(-c3cccs3)c(N)nc2n1 ZINC000082314797 177958687 /nfs/dbraw/zinc/95/86/87/177958687.db2.gz UJSIGMUKZWGWKR-UHFFFAOYSA-N 0 0 255.346 3.557 10 0 CHAERN Nc1cc(OCc2ccccc2)c(F)cc1Br ZINC000095616839 185016679 /nfs/dbraw/zinc/01/66/79/185016679.db2.gz KXXMAKROFFDJKM-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN CC(C)(C)c1cc(Br)c(OC2CC2)cn1 ZINC000095721159 185019670 /nfs/dbraw/zinc/01/96/70/185019670.db2.gz QNXAFCKBQIHZMU-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1c(Br)nccc1OC1CC1 ZINC000095724262 185020532 /nfs/dbraw/zinc/02/05/32/185020532.db2.gz YENDYUZLNREJDW-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CSc1ccc(OC2CC2)c(Br)c1 ZINC000095732970 185023090 /nfs/dbraw/zinc/02/30/90/185023090.db2.gz CMLABEUEBCWHTJ-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN O[C@@H](c1ccccc1)c1cccc(Br)c1F ZINC000095802972 185027930 /nfs/dbraw/zinc/02/79/30/185027930.db2.gz ZYNFGLRVUGHPCA-ZDUSSCGKSA-N 0 0 281.124 3.670 10 0 CHAERN Fc1ccc(Cl)c2sc(Br)nc21 ZINC000095930011 185032053 /nfs/dbraw/zinc/03/20/53/185032053.db2.gz BQDGPLXGYFXZQE-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN Cc1sc(Br)nc1NC(=O)OC(C)(C)C ZINC000095930336 185032945 /nfs/dbraw/zinc/03/29/45/185032945.db2.gz XPPWJRKUJSYDPK-UHFFFAOYSA-N 0 0 293.186 3.561 10 0 CHAERN C/C=C\Oc1nn(Cc2ccccc2)c2ccccc21 ZINC000095934680 185033476 /nfs/dbraw/zinc/03/34/76/185033476.db2.gz FDLLLGFTKUUEAT-OIXVIMQBSA-N 0 0 264.328 3.997 10 0 CHAERN Cc1cc(O)c(-c2ccnn2-c2ccccc2)cc1C ZINC000095935657 185033735 /nfs/dbraw/zinc/03/37/35/185033735.db2.gz QFKLUNREAGLVLJ-UHFFFAOYSA-N 0 0 264.328 3.862 10 0 CHAERN Cc1ccc(-c2nc3c(Cl)cccn3c2N)cc1 ZINC000082695858 178192843 /nfs/dbraw/zinc/19/28/43/178192843.db2.gz XGUWBFYYJRPCMH-UHFFFAOYSA-N 0 0 257.724 3.545 10 0 CHAERN CN[C@H](c1cccc(Cl)c1Cl)C(F)(F)F ZINC000082718605 178233572 /nfs/dbraw/zinc/23/35/72/178233572.db2.gz KEAOPBJDENHZMA-MRVPVSSYSA-N 0 0 258.070 3.816 10 0 CHAERN Cc1cc(N)c2ccnc(NCc3ccccc3)c2c1 ZINC000082754100 178278625 /nfs/dbraw/zinc/27/86/25/178278625.db2.gz UENDARMXJFQTKA-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN Fc1ccc2c(Br)cnc(Cl)c2c1 ZINC000082767443 178281783 /nfs/dbraw/zinc/28/17/83/178281783.db2.gz QMJDYOOSBFYAQD-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Cc1ccc2c(Br)cnc(Cl)c2c1 ZINC000082767439 178281786 /nfs/dbraw/zinc/28/17/86/178281786.db2.gz RLZBFEFWWHJZNE-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1ccc(F)cc1CNc1cnccc1Cl ZINC000083383922 178387259 /nfs/dbraw/zinc/38/72/59/178387259.db2.gz QOULOGBHHJLVHM-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN Brc1nc2c(s1)CCc1sccc1-2 ZINC000096944475 185134528 /nfs/dbraw/zinc/13/45/28/185134528.db2.gz QNEOLYOMKQSQAT-UHFFFAOYSA-N 0 0 272.192 3.733 10 0 CHAERN O=Cc1cc(-c2cccc(Br)c2)cs1 ZINC000096947579 185136754 /nfs/dbraw/zinc/13/67/54/185136754.db2.gz HCSPVNHBHQQBNO-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN CC[C@H](Cc1ccc(C)cc1)Nc1nccc(C)n1 ZINC000301463309 529425280 /nfs/dbraw/zinc/42/52/80/529425280.db2.gz KCJDRVQBXJRYRZ-OAHLLOKOSA-N 0 0 255.365 3.527 10 0 CHAERN CCn1ccnc1CNc1cc(Cl)c(F)c(Cl)c1 ZINC000191701914 529580593 /nfs/dbraw/zinc/58/05/93/529580593.db2.gz RQWGWWUZBZJQNJ-UHFFFAOYSA-N 0 0 288.153 3.961 10 0 CHAERN CCc1ccc(NCc2c(C)nn(C)c2OC)cc1Cl ZINC000353081899 529688049 /nfs/dbraw/zinc/68/80/49/529688049.db2.gz GDMZDECJUWPJHX-UHFFFAOYSA-N 0 0 293.798 3.565 10 0 CHAERN Cc1ocnc1C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000128072681 187349158 /nfs/dbraw/zinc/34/91/58/187349158.db2.gz LQEKOKVBACHYEL-LBPRGKRZSA-N 0 0 286.375 3.673 10 0 CHAERN CCn1c(N)c(-c2ccccc2)nc1C1CCCC1 ZINC000103502552 185846641 /nfs/dbraw/zinc/84/66/41/185846641.db2.gz MANFZBZDZKFCIA-UHFFFAOYSA-N 0 0 255.365 3.810 10 0 CHAERN Cc1nc(Cl)c(C)c(NCCc2ccccc2F)n1 ZINC000104207002 185931192 /nfs/dbraw/zinc/93/11/92/185931192.db2.gz RKZMTSXBKSYKCL-UHFFFAOYSA-N 0 0 279.746 3.541 10 0 CHAERN CCc1c(Cl)ncnc1Nc1ccc(OC)c(C)c1 ZINC000104215526 185933634 /nfs/dbraw/zinc/93/36/34/185933634.db2.gz GZTGLODYGYNLNX-UHFFFAOYSA-N 0 0 277.755 3.753 10 0 CHAERN Cc1c(Cl)ncnc1Nc1cccc2cccnc21 ZINC000104219801 185934352 /nfs/dbraw/zinc/93/43/52/185934352.db2.gz PCLUDUGXNWIERQ-UHFFFAOYSA-N 0 0 270.723 3.730 10 0 CHAERN CCCCCN(C)c1ncnc(Cl)c1CCC ZINC000104222858 185935338 /nfs/dbraw/zinc/93/53/38/185935338.db2.gz RZZIFJXNGJJTOW-UHFFFAOYSA-N 0 0 255.793 3.709 10 0 CHAERN COc1cc(NCc2ccc(Cl)cc2)ccc1N ZINC000104249157 185943674 /nfs/dbraw/zinc/94/36/74/185943674.db2.gz UCAVNJQQVNPPSW-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN O=Cc1cc(F)ccc1Sc1nc2ccccc2[nH]1 ZINC000104296382 185958651 /nfs/dbraw/zinc/95/86/51/185958651.db2.gz YNECELPTJSTWDH-UHFFFAOYSA-N 0 0 272.304 3.666 10 0 CHAERN Cc1ccc2sc(COc3ccccc3N)nc2c1 ZINC000104323436 185969092 /nfs/dbraw/zinc/96/90/92/185969092.db2.gz FFQYUIXJXAHPES-UHFFFAOYSA-N 0 0 270.357 3.766 10 0 CHAERN CSc1ccccc1OCc1c(N)cccc1F ZINC000104331337 185972349 /nfs/dbraw/zinc/97/23/49/185972349.db2.gz JDGNRVTVTIYWKD-UHFFFAOYSA-N 0 0 263.337 3.709 10 0 CHAERN Cc1ccc([C@@H](C)O)c(OCc2ccccc2C)c1 ZINC000104332231 185972452 /nfs/dbraw/zinc/97/24/52/185972452.db2.gz GENPSVUONSNWDU-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN CSc1ccc(OCc2ccc(C(N)=S)cc2)cc1 ZINC000104336803 185974198 /nfs/dbraw/zinc/97/41/98/185974198.db2.gz FSPDOGJPXJBKOP-UHFFFAOYSA-N 0 0 289.425 3.622 10 0 CHAERN C[C@H]1CCC[C@@H](Sc2ncc(Br)cn2)C1 ZINC000104384589 185987854 /nfs/dbraw/zinc/98/78/54/185987854.db2.gz MUYBKOIFXYVQGJ-WCBMZHEXSA-N 0 0 287.226 3.910 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1n1nc(C)c([C@@H](C)O)c1C ZINC000104387182 185989604 /nfs/dbraw/zinc/98/96/04/185989604.db2.gz OLNJRIDPNUCFJC-MCIONIFRSA-N 0 0 250.386 3.695 10 0 CHAERN COc1ncc(-c2ccc(F)cc2)c2c(O)cccc12 ZINC000090555767 180003856 /nfs/dbraw/zinc/00/38/56/180003856.db2.gz HECDAANTYIADAL-UHFFFAOYSA-N 0 0 269.275 3.755 10 0 CHAERN Cc1ccc2sc(NCCOC3CCCC3)nc2c1 ZINC000104439096 186002132 /nfs/dbraw/zinc/00/21/32/186002132.db2.gz KHKOMGCJUCRMKM-UHFFFAOYSA-N 0 0 276.405 3.976 10 0 CHAERN CCC(CC)[C@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000104442039 186002823 /nfs/dbraw/zinc/00/28/23/186002823.db2.gz HMHVBTIATLRZFA-VIFPVBQESA-N 0 0 269.772 3.600 10 0 CHAERN O=C([O-])c1cn(-c2cc[nH+]c3ccccc32)cc1C1CC1 ZINC000090693653 180026223 /nfs/dbraw/zinc/02/62/23/180026223.db2.gz IQBLFRLZQFLYLP-UHFFFAOYSA-N 0 0 278.311 3.601 10 0 CHAERN C[C@H](Cc1cc(N)n(-c2ccccc2)n1)C(C)(C)C ZINC000104444122 186004372 /nfs/dbraw/zinc/00/43/72/186004372.db2.gz QMBMTDBOZUXQTD-GFCCVEGCSA-N 0 0 257.381 3.679 10 0 CHAERN CCCC[C@H](O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000091352046 180137509 /nfs/dbraw/zinc/13/75/09/180137509.db2.gz ROBLUPDKFXQRLI-ZDUSSCGKSA-N 0 0 255.745 3.522 10 0 CHAERN Fc1ccc([C@H]2COCc3c(Cl)nc(Cl)nc32)cc1 ZINC000091690825 180227579 /nfs/dbraw/zinc/22/75/79/180227579.db2.gz AQONFDQPFZLULI-SECBINFHSA-N 0 0 299.132 3.585 10 0 CHAERN Cc1cccc(-c2nc(Cl)c(C=O)c(Cl)n2)c1 ZINC000091691551 180227667 /nfs/dbraw/zinc/22/76/67/180227667.db2.gz OMNQOPSLYSRBAF-UHFFFAOYSA-N 0 0 267.115 3.571 10 0 CHAERN O=C1c2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000091691753 180228409 /nfs/dbraw/zinc/22/84/09/180228409.db2.gz SUYKVPJSYFCEFI-UHFFFAOYSA-N 0 0 277.245 3.866 10 0 CHAERN CC(=O)c1cc2cc(Br)sc2nc1Cl ZINC000113384432 186575180 /nfs/dbraw/zinc/57/51/80/186575180.db2.gz ZBFHZGLBIAMALV-UHFFFAOYSA-N 0 0 290.569 3.915 10 0 CHAERN CC(=O)c1c(Br)ccc(C(F)(F)F)c1F ZINC000261507085 190039593 /nfs/dbraw/zinc/03/95/93/190039593.db2.gz FDACWHZKZCRNGE-UHFFFAOYSA-N 0 0 285.034 3.810 10 0 CHAERN Fc1c(Br)c(Cl)cc2c(Cl)ncnc12 ZINC000261507954 190040008 /nfs/dbraw/zinc/04/00/08/190040008.db2.gz OETZGFXDAJQFQG-UHFFFAOYSA-N 0 0 295.926 3.838 10 0 CHAERN CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000000141360 169551824 /nfs/dbraw/zinc/55/18/24/169551824.db2.gz VBPUHQSYDZQJKL-SUNKGSAMSA-N 0 0 276.767 3.768 10 0 CHAERN CC(C)=CCC[C@H](C)CC(=O)N1CCC[C@H]1CCCO ZINC000400809971 260003032 /nfs/dbraw/zinc/00/30/32/260003032.db2.gz WLKZMGURKCHVEM-HOTGVXAUSA-N 0 0 281.440 3.523 10 0 CHAERN Cn1cccc1C(=O)c1ccc(Cl)cc1Cl ZINC000000851947 169681047 /nfs/dbraw/zinc/68/10/47/169681047.db2.gz MIPFWJHHRGEQBR-UHFFFAOYSA-N 0 0 254.116 3.563 10 0 CHAERN C=CC(=O)OCCSc1cccc2ccccc21 ZINC000095080597 184937397 /nfs/dbraw/zinc/93/73/97/184937397.db2.gz RYKGTWUEXPSRMP-UHFFFAOYSA-N 0 0 258.342 3.661 10 0 CHAERN CCOc1ccc(C(=O)c2ccccc2)cc1OCC ZINC000001455708 169706723 /nfs/dbraw/zinc/70/67/23/169706723.db2.gz LMMTZUMRKWLOSJ-UHFFFAOYSA-N 0 0 270.328 3.715 10 0 CHAERN CO[C@@H]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000301804031 533385565 /nfs/dbraw/zinc/38/55/65/533385565.db2.gz XPBLNWLMNOLFQO-ZIAGYGMSSA-N 0 0 256.349 3.604 10 0 CHAERN CC(C)(C)NC(=O)/C=C\c1cccc(Cl)c1Cl ZINC000212501600 130753840 /nfs/dbraw/zinc/75/38/40/130753840.db2.gz FREWXHCDFGFULZ-FPLPWBNLSA-N 0 0 272.175 3.921 10 0 CHAERN CC[C@@H]1CCCCN1c1cc(Br)ccc1CO ZINC000037083581 134831746 /nfs/dbraw/zinc/83/17/46/134831746.db2.gz RYDNBMYTLASMFD-CYBMUJFWSA-N 0 0 298.224 3.710 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1cccc(F)c1N ZINC000037419099 134843127 /nfs/dbraw/zinc/84/31/27/134843127.db2.gz MGXYUDYZDAKFDG-UHFFFAOYSA-N 0 0 256.324 3.801 10 0 CHAERN CCOc1cccc(-c2cncn2CC(C)(C)C)c1 ZINC000005114903 170067112 /nfs/dbraw/zinc/06/71/12/170067112.db2.gz JUGNINIQPVTRDT-UHFFFAOYSA-N 0 0 258.365 3.995 10 0 CHAERN CSc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000005414348 170096386 /nfs/dbraw/zinc/09/63/86/170096386.db2.gz REXRHWIVTHYSTO-SSDOTTSWSA-N 0 0 250.392 3.538 10 0 CHAERN Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O ZINC000005485874 170104005 /nfs/dbraw/zinc/10/40/05/170104005.db2.gz PNZULBMZBJPHBN-UHFFFAOYSA-N 0 0 296.395 3.541 10 0 CHAERN Cc1nc2ccccc2n1C(=O)CCc1ccccc1 ZINC000005588570 170116807 /nfs/dbraw/zinc/11/68/07/170116807.db2.gz WDWMAPJMPQHDKH-UHFFFAOYSA-N 0 0 264.328 3.618 10 0 CHAERN CC[C@@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000005666240 170125648 /nfs/dbraw/zinc/12/56/48/170125648.db2.gz RKANVJLYNBTSBW-OFQRWUPVSA-N 0 0 259.393 3.685 10 0 CHAERN COc1cc(/C=C\c2ccccc2)cc(OC)c1OC ZINC000005808068 170142146 /nfs/dbraw/zinc/14/21/46/170142146.db2.gz CMQGCWMEXQRWSS-KTKRTIGZSA-N 0 0 270.328 3.883 10 0 CHAERN CCc1cc(CCc2ccc3ccccc3n2)c(=O)[nH]c1C ZINC000005847347 170146821 /nfs/dbraw/zinc/14/68/21/170146821.db2.gz AXDMPGHDHQGFJU-UHFFFAOYSA-N 0 0 292.382 3.579 10 0 CHAERN CC1CCN(C(=O)/C(Cl)=C\c2ccccc2)CC1 ZINC000005855167 170147355 /nfs/dbraw/zinc/14/73/55/170147355.db2.gz ZJAIRHYBUPSENZ-SDNWHVSQSA-N 0 0 263.768 3.525 10 0 CHAERN CCc1c(CC)c(OC(C)=O)c2ccccc2c1OC ZINC000005956017 170162040 /nfs/dbraw/zinc/16/20/40/170162040.db2.gz GWWSPIQPIHPIJE-UHFFFAOYSA-N 0 0 272.344 3.899 10 0 CHAERN COc1ccc(-c2nc(-c3ccccc3)c(C)n2O)cc1 ZINC000006025142 170169969 /nfs/dbraw/zinc/16/99/69/170169969.db2.gz SNMQEAUYTKCMIE-UHFFFAOYSA-N 0 0 280.327 3.771 10 0 CHAERN Cc1cc(=S)n2ncc(-c3ccc(Cl)cc3)c2[nH]1 ZINC000006167558 170180448 /nfs/dbraw/zinc/18/04/48/170180448.db2.gz YYGKUSYKYOJAQK-UHFFFAOYSA-N 0 0 275.764 3.647 10 0 CHAERN c1ccc([C@H]2CC=NC(=Nc3nc4ccccc4o3)N2)cc1 ZINC000006242143 170184789 /nfs/dbraw/zinc/18/47/89/170184789.db2.gz BJPJARRFIYPVOJ-CYBMUJFWSA-N 0 0 290.326 3.812 10 0 CHAERN CCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCC)cc1 ZINC000006396688 170197990 /nfs/dbraw/zinc/19/79/90/170197990.db2.gz WDTSEBCKVJBIFD-ZDUSSCGKSA-N 0 0 290.407 3.734 10 0 CHAERN O=C(Nc1nc(-c2cccnc2)cs1)Nc1ccccc1 ZINC000006399699 170198279 /nfs/dbraw/zinc/19/82/79/170198279.db2.gz WFZNXHUYEZEBJM-UHFFFAOYSA-N 0 0 296.355 3.849 10 0 CHAERN CCCOc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006398395 170198301 /nfs/dbraw/zinc/19/83/01/170198301.db2.gz CNWUBRQZRNZJFO-OKILXGFUSA-N 0 0 275.392 3.594 10 0 CHAERN O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1 ZINC000006493956 170206458 /nfs/dbraw/zinc/20/64/58/170206458.db2.gz BHJKTBUGWNYLLO-UHFFFAOYSA-N 0 0 297.745 3.982 10 0 CHAERN C[NH+](C)Cc1ccccc1Sc1cccc(C(=O)[O-])c1 ZINC000006637839 170220872 /nfs/dbraw/zinc/22/08/72/170220872.db2.gz GBKVNNGGYNIQST-UHFFFAOYSA-N 0 0 287.384 3.598 10 0 CHAERN CCCCCCc1nc2c(o1)c1ccccc1n(C)c2=O ZINC000006756421 170241307 /nfs/dbraw/zinc/24/13/07/170241307.db2.gz LODORQDRJQTQTL-UHFFFAOYSA-N 0 0 284.359 3.803 10 0 CHAERN COc1ccc(-c2csc(NCC(C)C)n2)cc1 ZINC000007844337 170304749 /nfs/dbraw/zinc/30/47/49/170304749.db2.gz VPWSFJZAHLIXNS-UHFFFAOYSA-N 0 0 262.378 3.887 10 0 CHAERN COc1cccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)c1 ZINC000008162995 170322119 /nfs/dbraw/zinc/32/21/19/170322119.db2.gz ANXGNCAVETUDFP-AWEZNQCLSA-N 0 0 299.370 3.718 10 0 CHAERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1 ZINC000008162750 170322240 /nfs/dbraw/zinc/32/22/40/170322240.db2.gz ZXVLENBJRXFIOG-AWEZNQCLSA-N 0 0 269.344 3.709 10 0 CHAERN Cc1cccc(/C=C/C(=O)Nc2cccc(F)c2)c1 ZINC000008287759 170329164 /nfs/dbraw/zinc/32/91/64/170329164.db2.gz NDSCSZKPOYBBGU-CMDGGOBGSA-N 0 0 255.292 3.786 10 0 CHAERN Nc1ncnc2nc(-c3ccccc3)cc(-c3ccco3)c12 ZINC000009694653 170384573 /nfs/dbraw/zinc/38/45/73/170384573.db2.gz RMSSJVRTWWUAHO-UHFFFAOYSA-N 0 0 288.310 3.534 10 0 CHAERN Cc1nc2ncnc(N)c2c(-c2ccccc2)c1C(C)C ZINC000009694671 170384604 /nfs/dbraw/zinc/38/46/04/170384604.db2.gz XELIGZLJCHKUCW-UHFFFAOYSA-N 0 0 278.359 3.706 10 0 CHAERN COc1ccc(C)cc1C(=O)c1ccc(C)c(C)c1 ZINC000011631638 170429485 /nfs/dbraw/zinc/42/94/85/170429485.db2.gz DXWNSZPOMKIIDE-UHFFFAOYSA-N 0 0 254.329 3.851 10 0 CHAERN COc1ccc(C)c2sc(NC(=O)c3ccccc3)nc21 ZINC000012063141 170468669 /nfs/dbraw/zinc/46/86/69/170468669.db2.gz IAJSNSKOMLOTEC-UHFFFAOYSA-N 0 0 298.367 3.866 10 0 CHAERN Cc1ccc(-c2cc(CC(=O)N3CCCC[C@@H]3C)no2)cc1 ZINC000012862275 170515226 /nfs/dbraw/zinc/51/52/26/170515226.db2.gz UAKHUFKJHSPUHF-AWEZNQCLSA-N 0 0 298.386 3.594 10 0 CHAERN Nc1cccc(SCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000014293158 170631374 /nfs/dbraw/zinc/63/13/74/170631374.db2.gz YDABQNTUUJVEGU-UHFFFAOYSA-N 0 0 292.791 3.653 10 0 CHAERN CCCC(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1 ZINC000014563522 170637596 /nfs/dbraw/zinc/63/75/96/170637596.db2.gz JHCRELGOVUTDKA-UHFFFAOYSA-N 0 0 296.370 3.986 10 0 CHAERN CCCCCC(=O)Nc1cccc(C(=O)NCCCC)c1 ZINC000014834912 170647009 /nfs/dbraw/zinc/64/70/09/170647009.db2.gz GMXLNCQGGNKANY-UHFFFAOYSA-N 0 0 290.407 3.735 10 0 CHAERN O=C1C(Cl)=C(C2CCCCC2)C(=O)N1c1ccccc1 ZINC000015015171 170653898 /nfs/dbraw/zinc/65/38/98/170653898.db2.gz GGNOFEXKGURWJK-UHFFFAOYSA-N 0 0 289.762 3.633 10 0 CHAERN Cc1cccc(N2C(=N)S/C(=C\c3ccco3)C2=O)c1 ZINC000015053171 170655086 /nfs/dbraw/zinc/65/50/86/170655086.db2.gz UUQBWFPSCQEHJV-MXEOFEFRSA-N 0 0 284.340 3.644 10 0 CHAERN CC1CCC(NC(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000015723656 170675740 /nfs/dbraw/zinc/67/57/40/170675740.db2.gz AROAFOMOUNDYGY-UHFFFAOYSA-N 0 0 287.190 3.697 10 0 CHAERN COc1ccc(OC)c(C(=O)[C@H]2C[C@H]2c2ccccc2)c1 ZINC000016901515 170714184 /nfs/dbraw/zinc/71/41/84/170714184.db2.gz PFNWLJGBQTVVJE-GJZGRUSLSA-N 0 0 282.339 3.690 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@H]1CCc2ccccc2N1 ZINC000019515046 170822683 /nfs/dbraw/zinc/82/26/83/170822683.db2.gz CWNDGRZDAOKTCU-MRXNPFEDSA-N 0 0 280.371 3.669 10 0 CHAERN CCc1ccc(C(=O)Nc2cccc3c2CCCN3)cc1 ZINC000019803846 170873259 /nfs/dbraw/zinc/87/32/59/170873259.db2.gz ZIPSQTNOKZCKJL-UHFFFAOYSA-N 0 0 280.371 3.859 10 0 CHAERN Nc1cc(Cl)ccc1OCc1ccccc1F ZINC000019805175 170874378 /nfs/dbraw/zinc/87/43/78/170874378.db2.gz BIYGHBVVYHIYDD-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN Cc1csc(Sc2ccc(Cl)cc2N)n1 ZINC000019845686 170894043 /nfs/dbraw/zinc/89/40/43/170894043.db2.gz ZGCUBRFPCCLSOO-UHFFFAOYSA-N 0 0 256.783 3.838 10 0 CHAERN COc1ccc(N[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000019877881 170906556 /nfs/dbraw/zinc/90/65/56/170906556.db2.gz AAQQUNQSIPAJLA-JTQLQIEISA-N 0 0 285.372 3.873 10 0 CHAERN CSc1cccc(NC2CCC3(CC2)OCCO3)c1 ZINC000019900662 170912656 /nfs/dbraw/zinc/91/26/56/170912656.db2.gz MRMVHWBJJFVRAA-UHFFFAOYSA-N 0 0 279.405 3.506 10 0 CHAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1cccnc1 ZINC000019907611 170919508 /nfs/dbraw/zinc/91/95/08/170919508.db2.gz NZLDKWYWOQTREA-MRVPVSSYSA-N 0 0 252.239 3.672 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)OCCO3)o1 ZINC000019916202 170925405 /nfs/dbraw/zinc/92/54/05/170925405.db2.gz VOQRRNBCQZZMKS-NSHDSACASA-N 0 0 259.305 3.532 10 0 CHAERN C[C@@H](Nc1ccccc1F)c1nc2ccccc2n1C ZINC000019944640 170935901 /nfs/dbraw/zinc/93/59/01/170935901.db2.gz SWPLHQIFWLAOGE-LLVKDONJSA-N 0 0 269.323 3.886 10 0 CHAERN COc1cc([C@@H](C)Nc2ccc(F)cc2F)ccc1O ZINC000019952230 170940043 /nfs/dbraw/zinc/94/00/43/170940043.db2.gz IPQHHYMBDYCONP-SECBINFHSA-N 0 0 279.286 3.852 10 0 CHAERN CCc1cccc(NC(=O)c2ccc(Cl)cc2N)c1 ZINC000020081212 170986388 /nfs/dbraw/zinc/98/63/88/170986388.db2.gz QCCYXUUEYXCFEL-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN Cc1nc([C@@H](C)N[C@H](C)c2ccncc2)c(C)s1 ZINC000020121847 171001107 /nfs/dbraw/zinc/00/11/07/171001107.db2.gz KGYNSRWARFVZSW-NXEZZACHSA-N 0 0 261.394 3.567 10 0 CHAERN Fc1cccc(F)c1CNCc1nc2ccccc2s1 ZINC000020135954 171023390 /nfs/dbraw/zinc/02/33/90/171023390.db2.gz USAJCELIVUGDOO-UHFFFAOYSA-N 0 0 290.338 3.864 10 0 CHAERN Cc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3 ZINC000020156897 171039497 /nfs/dbraw/zinc/03/94/97/171039497.db2.gz LMUMUCMJMKNQQO-UHFFFAOYSA-N 0 0 290.432 3.691 10 0 CHAERN CCN(Cc1cc(N)ccc1Cl)c1ccccc1 ZINC000020192526 171058309 /nfs/dbraw/zinc/05/83/09/171058309.db2.gz WCTMIOGGRARBBT-UHFFFAOYSA-N 0 0 260.768 3.949 10 0 CHAERN CCN(CCc1cccc(N)c1)c1cccc(C)c1 ZINC000020192035 171058457 /nfs/dbraw/zinc/05/84/57/171058457.db2.gz HFUKUDOGKAOMGX-UHFFFAOYSA-N 0 0 254.377 3.646 10 0 CHAERN CCOc1ccc([C@@H](C)Nc2cccc(O)c2)cc1 ZINC000020193694 171059425 /nfs/dbraw/zinc/05/94/25/171059425.db2.gz DQNYCSQSDSZHPA-GFCCVEGCSA-N 0 0 257.333 3.964 10 0 CHAERN c1ccc2nc(CNc3ccc4c(c3)OCO4)ccc2c1 ZINC000020246343 171099268 /nfs/dbraw/zinc/09/92/68/171099268.db2.gz XLSWKFZWUYDVIJ-UHFFFAOYSA-N 0 0 278.311 3.576 10 0 CHAERN Cc1nn(C)c(C)c1CNc1cccc(Cl)c1Cl ZINC000020245791 171099370 /nfs/dbraw/zinc/09/93/70/171099370.db2.gz WXKYLXWAAHAGOP-UHFFFAOYSA-N 0 0 284.190 3.956 10 0 CHAERN Cc1cccc(N2C(=S)N=NC2c2cccs2)c1C ZINC000020303859 171140426 /nfs/dbraw/zinc/14/04/26/171140426.db2.gz NBKPCJQGYKZWRC-UHFFFAOYSA-N 0 0 287.413 3.901 10 0 CHAERN COc1cc(C=O)cc(Cl)c1OCCC(C)C ZINC000020303925 171141161 /nfs/dbraw/zinc/14/11/61/171141161.db2.gz JHWXQZCZYHZYCY-UHFFFAOYSA-N 0 0 256.729 3.586 10 0 CHAERN CCc1ccc(NC(=O)c2c(F)cccc2Cl)cc1N ZINC000020344275 171154146 /nfs/dbraw/zinc/15/41/46/171154146.db2.gz AXAWFJLPZJBQOC-UHFFFAOYSA-N 0 0 292.741 3.876 10 0 CHAERN COc1ccccc1COc1ccc(C(F)(F)F)cc1N ZINC000020352055 171156305 /nfs/dbraw/zinc/15/63/05/171156305.db2.gz CGHGZKZGIRDWMG-UHFFFAOYSA-N 0 0 297.276 3.875 10 0 CHAERN CC(C)c1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000020358533 171157196 /nfs/dbraw/zinc/15/71/96/171157196.db2.gz WSUZOINHNHJVPD-GFCCVEGCSA-N 0 0 262.397 3.525 10 0 CHAERN Cn1cccc1CNc1ccccc1C(F)(F)F ZINC000020359080 171158076 /nfs/dbraw/zinc/15/80/76/171158076.db2.gz HPQIAFHKOJYYCU-UHFFFAOYSA-N 0 0 254.255 3.656 10 0 CHAERN CC(C)CNC(=O)[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020359414 171158246 /nfs/dbraw/zinc/15/82/46/171158246.db2.gz IZCMCKBKMQXPPI-VIFPVBQESA-N 0 0 289.206 3.566 10 0 CHAERN CCC[C@@H](C)NC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020365046 171163403 /nfs/dbraw/zinc/16/34/03/171163403.db2.gz GVMQXLGYXRPPAL-NEPJUHHUSA-N 0 0 280.437 3.514 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccccc1C(C)C ZINC000020368045 171166279 /nfs/dbraw/zinc/16/62/79/171166279.db2.gz RBMHXHSRBVCVSI-CYBMUJFWSA-N 0 0 276.424 3.915 10 0 CHAERN CCCN(CCC)c1ccc(NC(=O)c2ccccc2)cn1 ZINC000020372403 171169205 /nfs/dbraw/zinc/16/92/05/171169205.db2.gz JCZLWRKFFVKEKO-UHFFFAOYSA-N 0 0 297.402 3.960 10 0 CHAERN Nc1cc(Cl)ccc1NCc1ccc(F)cc1 ZINC000020383601 171174115 /nfs/dbraw/zinc/17/41/15/171174115.db2.gz OYOOLGZZKOIJEP-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN O=C1NC(=S)SC1=Cc1ccc2cccnc2c1 ZINC000020413992 171182898 /nfs/dbraw/zinc/18/28/98/171182898.db2.gz DZOALIVNWSIAQK-XFFZJAGNSA-N 0 0 272.354 3.564 10 0 CHAERN CC(C)N(Cc1ccccc1)c1ccccc1CO ZINC000020434946 171200473 /nfs/dbraw/zinc/20/04/73/171200473.db2.gz YHZNCXNXJBLVIX-UHFFFAOYSA-N 0 0 255.361 3.594 10 0 CHAERN C[C@H]1Cc2ccccc2N1c1cccc(Cl)c1CO ZINC000020434968 171200495 /nfs/dbraw/zinc/20/04/95/171200495.db2.gz IKPJPRCSZRRZMV-NSHDSACASA-N 0 0 273.763 3.915 10 0 CHAERN OCc1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000020435277 171201492 /nfs/dbraw/zinc/20/14/92/171201492.db2.gz ZENRNXLCAYXBAR-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN Nc1cc(Cl)ccc1NCc1cccc(F)c1 ZINC000020473495 171217427 /nfs/dbraw/zinc/21/74/27/171217427.db2.gz GLOMASUWKXINAU-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Nc1ccccc1Oc1ccc(Br)cc1F ZINC000020473984 171218131 /nfs/dbraw/zinc/21/81/31/171218131.db2.gz BMMVLFWFMYQESR-UHFFFAOYSA-N 0 0 282.112 3.963 10 0 CHAERN Nc1ccc(NCc2ccccc2Cl)c(F)c1 ZINC000020474851 171219013 /nfs/dbraw/zinc/21/90/13/171219013.db2.gz JZCVLKTZLZOCNI-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000020502422 171227925 /nfs/dbraw/zinc/22/79/25/171227925.db2.gz FXLGMWZSLRJKCT-GFCCVEGCSA-N 0 0 288.778 3.843 10 0 CHAERN C[C@@H]1CCC[C@H](Oc2ccc(Br)cc2N)C1 ZINC000020507264 171228915 /nfs/dbraw/zinc/22/89/15/171228915.db2.gz IEDHNUJHLZSXEF-KOLCDFICSA-N 0 0 284.197 3.989 10 0 CHAERN CCCCCCN(CCC(N)=S)c1ccccc1 ZINC000020519769 171233447 /nfs/dbraw/zinc/23/34/47/171233447.db2.gz LUQQSCZLCYHJPU-UHFFFAOYSA-N 0 0 264.438 3.750 10 0 CHAERN CCCCCCc1sc(N)c(C(=O)OCC)c1C ZINC000020519884 171233468 /nfs/dbraw/zinc/23/34/68/171233468.db2.gz NXVJKZJYUWSQED-UHFFFAOYSA-N 0 0 269.410 3.938 10 0 CHAERN CC1CCC(NC(=O)c2ccc3ccccc3c2O)CC1 ZINC000020558505 171250729 /nfs/dbraw/zinc/25/07/29/171250729.db2.gz HOSVZLCBLSAYRA-UHFFFAOYSA-N 0 0 283.371 3.854 10 0 CHAERN CC(C)C1N=NC(=S)N1c1cccc(Cl)c1Cl ZINC000020590803 171260773 /nfs/dbraw/zinc/26/07/73/171260773.db2.gz REMPJMFCYVJDPH-UHFFFAOYSA-N 0 0 288.203 3.986 10 0 CHAERN Cc1cc(C)cc(N2C(=S)N=NC2c2cccs2)c1 ZINC000020591269 171261263 /nfs/dbraw/zinc/26/12/63/171261263.db2.gz YLIMVOHSSLAMEK-UHFFFAOYSA-N 0 0 287.413 3.901 10 0 CHAERN Fc1ccc(N2C(=S)N=NC2c2cccs2)c(F)c1 ZINC000020591218 171261370 /nfs/dbraw/zinc/26/13/70/171261370.db2.gz UIFOSOLAWNEEEW-UHFFFAOYSA-N 0 0 295.339 3.563 10 0 CHAERN Cc1ccc(C2(c3noc([C@H]4CCOC4)n3)CCCC2)cc1 ZINC000020877833 171277710 /nfs/dbraw/zinc/27/77/10/171277710.db2.gz SMTYAEGRPNXEEQ-AWEZNQCLSA-N 0 0 298.386 3.742 10 0 CHAERN CCOc1ccc(OCC)c(N[C@H](C)C(C)C)c1 ZINC000021008656 171285461 /nfs/dbraw/zinc/28/54/61/171285461.db2.gz WNMDOCQDWYLOHO-GFCCVEGCSA-N 0 0 251.370 3.940 10 0 CHAERN O=C(Nc1ccccc1)c1cccc2c1SCCC2=O ZINC000021103188 171297859 /nfs/dbraw/zinc/29/78/59/171297859.db2.gz UAHKNGVLNZLRBL-UHFFFAOYSA-N 0 0 283.352 3.617 10 0 CHAERN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)C(C)C)cc1 ZINC000021334976 171302484 /nfs/dbraw/zinc/30/24/84/171302484.db2.gz AZUOEVLNUPORMH-OLZOCXBDSA-N 0 0 283.437 3.523 10 0 CHAERN CC(C)N(Cc1ccccc1)c1ccccc1C=O ZINC000021506228 171308054 /nfs/dbraw/zinc/30/80/54/171308054.db2.gz HOWYYCBYHNINNR-UHFFFAOYSA-N 0 0 253.345 3.914 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2cccc(F)c2)c(F)c1 ZINC000021509570 171309864 /nfs/dbraw/zinc/30/98/64/171309864.db2.gz MECAWDWZVBNEDE-UHFFFAOYSA-N 0 0 275.298 3.804 10 0 CHAERN NC(=S)c1ccnc(Nc2ccc(Cl)c(Cl)c2)c1 ZINC000021519055 171314999 /nfs/dbraw/zinc/31/49/99/171314999.db2.gz LNIOZELZDKRGIA-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1ccccc1C(N)=S ZINC000021791609 171324223 /nfs/dbraw/zinc/32/42/23/171324223.db2.gz FIXWAUXPXCDGCX-AAEUAGOBSA-N 0 0 263.406 3.668 10 0 CHAERN C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021807079 171327770 /nfs/dbraw/zinc/32/77/70/171327770.db2.gz JAXQVMOECKJKCL-GXSJLCMTSA-N 0 0 269.291 3.999 10 0 CHAERN Cc1cc(C)cc(Nc2ccccc2C(N)=S)c1 ZINC000021813657 171331017 /nfs/dbraw/zinc/33/10/17/171331017.db2.gz KCXPLVCHKUBOKV-UHFFFAOYSA-N 0 0 256.374 3.681 10 0 CHAERN COc1ccc(NC(=O)Nc2cc(Cl)ccc2N)cc1 ZINC000021960794 171342627 /nfs/dbraw/zinc/34/26/27/171342627.db2.gz QQKOECQYEDDIQH-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN COc1ccccc1NC(=O)Nc1ccc(Cl)c(N)c1 ZINC000021966434 171343629 /nfs/dbraw/zinc/34/36/29/171343629.db2.gz YCGPKZIOTQUAHR-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1 ZINC000021993577 171346566 /nfs/dbraw/zinc/34/65/66/171346566.db2.gz NILTWSDFGPHFMF-UHFFFAOYSA-N 0 0 282.673 3.858 10 0 CHAERN Cc1ccc([C@H](O)[C@H](C)C(=O)c2ccccc2)cc1 ZINC000021996843 171347686 /nfs/dbraw/zinc/34/76/86/171347686.db2.gz VMHIDNSPRCRSKI-CXAGYDPISA-N 0 0 254.329 3.547 10 0 CHAERN COc1ccc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 ZINC000022148044 171357731 /nfs/dbraw/zinc/35/77/31/171357731.db2.gz VQUSJLUIRXBVFM-NWANDNLSSA-N 0 0 262.397 3.963 10 0 CHAERN Cc1cccc(NC(=O)Nc2ccc(N)cc2C)c1 ZINC000022149255 171357900 /nfs/dbraw/zinc/35/79/00/171357900.db2.gz HVEGNTAORBPISP-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccsc1 ZINC000022149939 171358241 /nfs/dbraw/zinc/35/82/41/171358241.db2.gz GRODYZHBKMJJDU-UHFFFAOYSA-N 0 0 286.278 3.601 10 0 CHAERN Cc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)c(C)c1 ZINC000022172446 171368528 /nfs/dbraw/zinc/36/85/28/171368528.db2.gz JAXFQJWVSORIGQ-UHFFFAOYSA-N 0 0 297.383 3.748 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)CCC1CCCC1 ZINC000022209590 171373097 /nfs/dbraw/zinc/37/30/97/171373097.db2.gz SLZSQYLWXWWHQY-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN Nc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1 ZINC000022221293 171378452 /nfs/dbraw/zinc/37/84/52/171378452.db2.gz IICYULGWDNPKDS-UHFFFAOYSA-N 0 0 284.344 3.523 10 0 CHAERN Cc1cc2nc(-c3ccc4c(c3)OCO4)oc2c(C)c1 ZINC000022622425 171394850 /nfs/dbraw/zinc/39/48/50/171394850.db2.gz AQHLDXLNNLWLCO-UHFFFAOYSA-N 0 0 267.284 3.840 10 0 CHAERN Nc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccccc1 ZINC000026511466 171490565 /nfs/dbraw/zinc/49/05/65/171490565.db2.gz NAOSUXNVVUKUAW-UHFFFAOYSA-N 0 0 269.735 3.979 10 0 CHAERN Nc1nc2ccc(C(F)(F)C(F)(F)F)cc2s1 ZINC000026728720 171497000 /nfs/dbraw/zinc/49/70/00/171497000.db2.gz CJWCTHWNOZFXBZ-UHFFFAOYSA-N 0 0 268.210 3.533 10 0 CHAERN CCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21 ZINC000029227762 171591032 /nfs/dbraw/zinc/59/10/32/171591032.db2.gz ZTHNRSICUJTQHL-UHFFFAOYSA-N 0 0 253.301 3.739 10 0 CHAERN Cc1ccc(OCc2c(F)cccc2Cl)cc1N ZINC000032114291 171707825 /nfs/dbraw/zinc/70/78/25/171707825.db2.gz VPVZWGYRLNXPNX-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1ccnc(Sc2ccc(N)c(C(F)(F)F)c2)n1 ZINC000032271743 171723313 /nfs/dbraw/zinc/72/33/13/171723313.db2.gz PBCRZQPJPLSKIV-UHFFFAOYSA-N 0 0 285.294 3.537 10 0 CHAERN COc1ccc(C=O)cc1-c1ccc2ncccc2c1 ZINC000033428614 171795715 /nfs/dbraw/zinc/79/57/15/171795715.db2.gz OKMMMDWYHULOED-UHFFFAOYSA-N 0 0 263.296 3.723 10 0 CHAERN CC(=O)Oc1c2cc[nH]c2ccc1OCc1ccccc1 ZINC000034149832 171832777 /nfs/dbraw/zinc/83/27/77/171832777.db2.gz UFPHIXJFRVHVDL-UHFFFAOYSA-N 0 0 281.311 3.672 10 0 CHAERN CCOC(=O)c1ccc(C(F)(F)F)cc1Br ZINC000034742989 171864912 /nfs/dbraw/zinc/86/49/12/171864912.db2.gz JNUHNIMYSOUQLO-UHFFFAOYSA-N 0 0 297.070 3.645 10 0 CHAERN COC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000035014325 171931086 /nfs/dbraw/zinc/93/10/86/171931086.db2.gz KUYFXEYBTWKJCE-KBPBESRZSA-N 0 0 283.371 3.566 10 0 CHAERN C[C@@H](Nc1ccc2n[nH]cc2c1)c1ccc(F)cc1 ZINC000035019236 171937719 /nfs/dbraw/zinc/93/77/19/171937719.db2.gz MRDXANRCKKINEH-SNVBAGLBSA-N 0 0 255.296 3.875 10 0 CHAERN O=C(CN1CCc2ccccc21)c1ccc(Cl)s1 ZINC000035022368 171941689 /nfs/dbraw/zinc/94/16/89/171941689.db2.gz NPRPDVKJSSALBZ-UHFFFAOYSA-N 0 0 277.776 3.647 10 0 CHAERN COC(=O)c1ccc(Cl)cc1NCc1cccc(F)c1 ZINC000035041435 171946077 /nfs/dbraw/zinc/94/60/77/171946077.db2.gz CNLOECBPHFATDJ-UHFFFAOYSA-N 0 0 293.725 3.878 10 0 CHAERN CCOc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134584 172000855 /nfs/dbraw/zinc/00/08/55/172000855.db2.gz LLJPGBUMCJNRDF-UHFFFAOYSA-N 0 0 280.327 3.819 10 0 CHAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 ZINC000035134595 172001629 /nfs/dbraw/zinc/00/16/29/172001629.db2.gz MIJAAWLSPYITAO-UHFFFAOYSA-N 0 0 250.301 3.729 10 0 CHAERN Cc1cc(C)c(C)c(OCc2nnsc2Cl)c1 ZINC000035163640 172024946 /nfs/dbraw/zinc/02/49/46/172024946.db2.gz CXMLJYSFHSXVHJ-UHFFFAOYSA-N 0 0 268.769 3.696 10 0 CHAERN Cc1ccc(C(=O)COc2ccc(C)cc2C)cc1 ZINC000035181838 172035322 /nfs/dbraw/zinc/03/53/22/172035322.db2.gz RFBVWQYVMHCIPR-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN O=C(COc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000035181747 172035501 /nfs/dbraw/zinc/03/55/01/172035501.db2.gz SPCPFDXKGGXIDD-UHFFFAOYSA-N 0 0 270.303 3.576 10 0 CHAERN COc1cccc(OCC(=O)c2cccc(Cl)c2)c1 ZINC000035182844 172035921 /nfs/dbraw/zinc/03/59/21/172035921.db2.gz WCXYZCFZUBRCSM-UHFFFAOYSA-N 0 0 276.719 3.610 10 0 CHAERN COc1cccc(OCC(=O)c2c(C)cc(C)cc2C)c1 ZINC000035182790 172035950 /nfs/dbraw/zinc/03/59/50/172035950.db2.gz BVLCABYZMREMSR-UHFFFAOYSA-N 0 0 284.355 3.882 10 0 CHAERN O=C(COc1cccc(F)c1)c1ccccc1Cl ZINC000035184080 172037662 /nfs/dbraw/zinc/03/76/62/172037662.db2.gz GRFKAYBEKWMHIR-UHFFFAOYSA-N 0 0 264.683 3.741 10 0 CHAERN Cc1cccc(O[C@H](C)C(=O)c2ccccc2)c1C ZINC000035184324 172038234 /nfs/dbraw/zinc/03/82/34/172038234.db2.gz WXKLGHPDAKXOFT-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1cccc(O[C@@H](C)C(=O)c2ccccc2)c1C ZINC000035184323 172038302 /nfs/dbraw/zinc/03/83/02/172038302.db2.gz WXKLGHPDAKXOFT-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN CCc1ccc(C(=O)Nc2ccccc2[C@@H](C)O)cc1 ZINC000035199588 172045340 /nfs/dbraw/zinc/04/53/40/172045340.db2.gz AGVXCGSSRMHKOS-GFCCVEGCSA-N 0 0 269.344 3.555 10 0 CHAERN Cc1cc(C)nc(Oc2cccc(Br)c2)n1 ZINC000035206227 172050264 /nfs/dbraw/zinc/05/02/64/172050264.db2.gz QMPAHPFHQDNGJX-UHFFFAOYSA-N 0 0 279.137 3.648 10 0 CHAERN FC(F)(F)Oc1ccccc1NC[C@@H]1CCCCO1 ZINC000035216828 172057521 /nfs/dbraw/zinc/05/75/21/172057521.db2.gz ZYCWNMHOHJFDPA-JTQLQIEISA-N 0 0 275.270 3.566 10 0 CHAERN C[C@@H]1C[C@@H](C)CN(c2n[nH]c(=S)n2C2CCCCC2)C1 ZINC000035222133 172065684 /nfs/dbraw/zinc/06/56/84/172065684.db2.gz JQEGTETWLXYOEW-VXGBXAGGSA-N 0 0 294.468 3.928 10 0 CHAERN Cc1ccc(C(=O)Cn2c(C)nc3ccccc32)s1 ZINC000035230332 172070960 /nfs/dbraw/zinc/07/09/60/172070960.db2.gz BIKSREULIYUESM-UHFFFAOYSA-N 0 0 270.357 3.598 10 0 CHAERN Cc1ccc(NC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000035282659 172101199 /nfs/dbraw/zinc/10/11/99/172101199.db2.gz QIQWNCHMERSJOP-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN O=C(c1ccc(Br)o1)c1ccc2c(c1)CCC2 ZINC000035369045 172160727 /nfs/dbraw/zinc/16/07/27/172160727.db2.gz BHFJCWVZHFXKES-UHFFFAOYSA-N 0 0 291.144 3.762 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)o2)s1 ZINC000035368981 172160796 /nfs/dbraw/zinc/16/07/96/172160796.db2.gz BSEJGLBSSMHXRQ-UHFFFAOYSA-N 0 0 271.135 3.643 10 0 CHAERN COc1cc(Cl)c(C(=O)c2ccc(C)s2)cc1OC ZINC000035369594 172161297 /nfs/dbraw/zinc/16/12/97/172161297.db2.gz CZBLYHGYEONBBQ-UHFFFAOYSA-N 0 0 296.775 3.958 10 0 CHAERN Cc1occc1C(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000035369743 172161404 /nfs/dbraw/zinc/16/14/04/172161404.db2.gz FLRACQSGDVTUCU-UHFFFAOYSA-N 0 0 259.692 3.954 10 0 CHAERN COc1ccc(C(=O)Cc2ccccc2C)cc1F ZINC000035423934 172192978 /nfs/dbraw/zinc/19/29/78/172192978.db2.gz AAQFMLGAWANYOV-UHFFFAOYSA-N 0 0 258.292 3.568 10 0 CHAERN CN[C@@H](c1cc(F)ccc1F)c1ccccc1Cl ZINC000035468615 172217864 /nfs/dbraw/zinc/21/78/64/172217864.db2.gz DVOXBDPOGPAMSG-CQSZACIVSA-N 0 0 267.706 3.927 10 0 CHAERN C[C@@H](O)c1ccc2ccccc2c1OCc1cccnc1 ZINC000035628034 172306872 /nfs/dbraw/zinc/30/68/72/172306872.db2.gz CXZMXJSHZLSLLL-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN Cc1cc(COc2c3ccccc3ccc2[C@H](C)O)on1 ZINC000035627958 172306936 /nfs/dbraw/zinc/30/69/36/172306936.db2.gz MXPJSRBEASVRCT-LBPRGKRZSA-N 0 0 283.327 3.769 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N(C)Cc1ccccc1 ZINC000035631206 172313164 /nfs/dbraw/zinc/31/31/64/172313164.db2.gz OWKYOIOUDVYBGZ-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN CC(=O)Nc1ccccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035631863 172313829 /nfs/dbraw/zinc/31/38/29/172313829.db2.gz LXVOXMFIZVDIME-SNVBAGLBSA-N 0 0 289.306 3.630 10 0 CHAERN CCOc1ccc(Oc2ccc([C@H](C)O)cc2)cc1 ZINC000035632063 172314544 /nfs/dbraw/zinc/31/45/44/172314544.db2.gz PCVBIKYEEZDJOV-LBPRGKRZSA-N 0 0 258.317 3.931 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(F)cc1 ZINC000035632277 172314939 /nfs/dbraw/zinc/31/49/39/172314939.db2.gz VWQGVOQTVVBVSR-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COc1ccc(CSc2cc(F)ccc2F)cc1N ZINC000035676229 172346447 /nfs/dbraw/zinc/34/64/47/172346447.db2.gz ICWMXYQLXVGSPD-UHFFFAOYSA-N 0 0 281.327 3.848 10 0 CHAERN Nc1ccc(Sc2ccc3ccccc3c2)nc1 ZINC000035676440 172347153 /nfs/dbraw/zinc/34/71/53/172347153.db2.gz VYKSKMLWBNWKNT-UHFFFAOYSA-N 0 0 252.342 3.968 10 0 CHAERN Cc1ccc(N)cc1OCc1ccccc1Br ZINC000035678231 172349388 /nfs/dbraw/zinc/34/93/88/172349388.db2.gz WVTKULLZMUUGHX-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN O=C(CC1CCCCC1)Nc1cccc(Br)n1 ZINC000035678800 172349499 /nfs/dbraw/zinc/34/94/99/172349499.db2.gz GGGXSSPXTALMAJ-UHFFFAOYSA-N 0 0 297.196 3.753 10 0 CHAERN CN(Cc1ccsc1)c1ccc(N)c2cccnc21 ZINC000035718663 172372811 /nfs/dbraw/zinc/37/28/11/172372811.db2.gz YOSOAVPBZNWBGY-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN CCS(=O)(=O)c1ccc(N[C@@H](C)c2cccs2)cc1 ZINC000035737142 172390454 /nfs/dbraw/zinc/39/04/54/172390454.db2.gz QVUPWNUKAPXDBQ-NSHDSACASA-N 0 0 295.429 3.715 10 0 CHAERN C[C@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccco1 ZINC000035738794 172392606 /nfs/dbraw/zinc/39/26/06/172392606.db2.gz TWDKACNBCZRFAJ-RYUDHWBXSA-N 0 0 269.348 3.578 10 0 CHAERN COC(=O)[C@@H](C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000035757814 172397437 /nfs/dbraw/zinc/39/74/37/172397437.db2.gz WPZDZNACDLDGJN-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN COC(=O)N1CCc2cc(C)ccc2[C@H]1c1ccccc1 ZINC000036114378 172444294 /nfs/dbraw/zinc/44/42/94/172444294.db2.gz KYKLCSVLAPALKL-QGZVFWFLSA-N 0 0 281.355 3.709 10 0 CHAERN Oc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000036194710 172506364 /nfs/dbraw/zinc/50/63/64/172506364.db2.gz OGIOCXKTYWPDMD-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN CCc1ccc(Oc2ncc(Br)cc2N)cc1 ZINC000036243143 172540401 /nfs/dbraw/zinc/54/04/01/172540401.db2.gz QHXCPALIBCPZLV-UHFFFAOYSA-N 0 0 293.164 3.781 10 0 CHAERN Cc1n[nH]c(C)c1NCc1c(Cl)cccc1Cl ZINC000036734743 172666197 /nfs/dbraw/zinc/66/61/97/172666197.db2.gz AOQKNLUEGGJJSW-UHFFFAOYSA-N 0 0 270.163 3.945 10 0 CHAERN NC(=S)c1ccc(NC2CCCCCCC2)c(F)c1 ZINC000036887188 172782892 /nfs/dbraw/zinc/78/28/92/172782892.db2.gz CUWZBDDGWXEVFF-UHFFFAOYSA-N 0 0 280.412 3.985 10 0 CHAERN CCC[C@H](C)CNc1ccc(OCC(F)(F)F)nc1 ZINC000036935208 172815263 /nfs/dbraw/zinc/81/52/63/172815263.db2.gz CGFCAVSSKJZIIE-JTQLQIEISA-N 0 0 276.302 3.871 10 0 CHAERN c1cnn(-c2ccc(NCC3CCCCC3)cc2)c1 ZINC000036977786 172844625 /nfs/dbraw/zinc/84/46/25/172844625.db2.gz NAKVVRNBCLASLO-UHFFFAOYSA-N 0 0 255.365 3.865 10 0 CHAERN CC(C)C[C@H](C)Oc1ccc(N)c(OC(C)(C)C)n1 ZINC000037069216 172931435 /nfs/dbraw/zinc/93/14/35/172931435.db2.gz JUUQHQJARREKEQ-NSHDSACASA-N 0 0 266.385 3.655 10 0 CHAERN COC(=O)c1ccc(F)cc1NCC1CCCCC1 ZINC000037119331 172968706 /nfs/dbraw/zinc/96/87/06/172968706.db2.gz VFIZYYVJVOLMQQ-UHFFFAOYSA-N 0 0 265.328 3.605 10 0 CHAERN CCCCCN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037171709 173005967 /nfs/dbraw/zinc/00/59/67/173005967.db2.gz DGKOZFYATXNNBV-UHFFFAOYSA-N 0 0 275.179 3.651 10 0 CHAERN CC(C)(C)c1noc(CSc2c(N)cccc2Cl)n1 ZINC000037195409 173024254 /nfs/dbraw/zinc/02/42/54/173024254.db2.gz WGRLYGFIONQTKD-UHFFFAOYSA-N 0 0 297.811 3.895 10 0 CHAERN CC(C)Oc1ccc(CNc2cccc(O)c2)cc1 ZINC000037237783 173055296 /nfs/dbraw/zinc/05/52/96/173055296.db2.gz OTSWXFJQGGYCKR-UHFFFAOYSA-N 0 0 257.333 3.792 10 0 CHAERN Cc1n[nH]c(C)c1N[C@@H](C)c1c(C)cc(C)nc1C ZINC000037261712 173071248 /nfs/dbraw/zinc/07/12/48/173071248.db2.gz QYLWHWOGRMQVOW-NSHDSACASA-N 0 0 258.369 3.520 10 0 CHAERN COc1cc(C)ccc1[C@H](C)Nc1c(C)n[nH]c1C ZINC000037261698 173071933 /nfs/dbraw/zinc/07/19/33/173071933.db2.gz ONCBGCGUXWTASI-JTQLQIEISA-N 0 0 259.353 3.517 10 0 CHAERN Cc1ccc(C)c(SCc2ccc(O)c(N)c2)c1 ZINC000037285752 173091841 /nfs/dbraw/zinc/09/18/41/173091841.db2.gz VWTKVMOFJGYMOI-UHFFFAOYSA-N 0 0 259.374 3.884 10 0 CHAERN CC(C)COc1c(N)cc(Cl)cc1Br ZINC000037288200 173093978 /nfs/dbraw/zinc/09/39/78/173093978.db2.gz MDJAWALGBXPYFE-UHFFFAOYSA-N 0 0 278.577 3.720 10 0 CHAERN CCCC[C@@H](C)Nc1ccccc1S(=O)(=O)C(F)F ZINC000037304689 173109762 /nfs/dbraw/zinc/10/97/62/173109762.db2.gz KBFWVUJRMAWFMO-SNVBAGLBSA-N 0 0 291.363 3.674 10 0 CHAERN C[C@H]1Cc2ccccc2N1Cc1ccc2c(c1)CCN2 ZINC000037323420 173124067 /nfs/dbraw/zinc/12/40/67/173124067.db2.gz MMCYSNWUVGPOHV-ZDUSSCGKSA-N 0 0 264.372 3.606 10 0 CHAERN C[C@@H]1CCC[C@H](OCCC(=O)c2ccc(F)cc2)C1 ZINC000037330649 173131689 /nfs/dbraw/zinc/13/16/89/173131689.db2.gz HWJFWEQJNABHRP-DOMZBBRYSA-N 0 0 264.340 3.994 10 0 CHAERN C[C@@H]1CCC[C@@H](OCCC(=O)c2ccc(F)cc2)C1 ZINC000037330654 173131771 /nfs/dbraw/zinc/13/17/71/173131771.db2.gz HWJFWEQJNABHRP-IUODEOHRSA-N 0 0 264.340 3.994 10 0 CHAERN Cc1ccoc1-c1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000037348718 173144033 /nfs/dbraw/zinc/14/40/33/173144033.db2.gz QRLREPUYDYXGDU-UHFFFAOYSA-N 0 0 273.723 3.881 10 0 CHAERN Cc1ccccc1-c1c(N)n(C)nc1-c1ccsc1 ZINC000037351277 173144433 /nfs/dbraw/zinc/14/44/33/173144433.db2.gz IWCFYLXOCUIDIG-UHFFFAOYSA-N 0 0 269.373 3.706 10 0 CHAERN COc1ccc(C(=O)Cc2ccc(F)cc2)cc1Cl ZINC000037362673 173151344 /nfs/dbraw/zinc/15/13/44/173151344.db2.gz AIKQVYCJUMTZNQ-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN COc1ccc(F)cc1C(=O)c1cc(C)ccc1C ZINC000037362342 173151935 /nfs/dbraw/zinc/15/19/35/173151935.db2.gz BRNJLKLHHUKMBW-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN Nc1cc(F)ccc1Sc1ccc(F)c(F)c1 ZINC000037380753 173167411 /nfs/dbraw/zinc/16/74/11/173167411.db2.gz IQGJJKCNQHDMEI-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN COc1cccc(COCc2cc(N)ccc2Cl)c1 ZINC000037403436 173179265 /nfs/dbraw/zinc/17/92/65/173179265.db2.gz USJZHIWYMGLNMD-UHFFFAOYSA-N 0 0 277.751 3.648 10 0 CHAERN C/C=C/c1ccccc1OCc1c(C)nn(C)c1Cl ZINC000037408819 173185204 /nfs/dbraw/zinc/18/52/04/173185204.db2.gz BQZWHOFQFQRWFZ-QPJJXVBHSA-N 0 0 276.767 3.994 10 0 CHAERN O[C@@]1(c2cccc(F)c2)CCCCc2ccccc21 ZINC000037529098 173252189 /nfs/dbraw/zinc/25/21/89/173252189.db2.gz XPSXKKAJVGRFAF-QGZVFWFLSA-N 0 0 256.320 3.788 10 0 CHAERN C[C@@](O)(Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000037530557 173252695 /nfs/dbraw/zinc/25/26/95/173252695.db2.gz KXPBJSUMQXFFHW-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN O[C@]1(CCc2ccccc2)CCc2ccccc2C1 ZINC000037531683 173253384 /nfs/dbraw/zinc/25/33/84/173253384.db2.gz VGUOLSSYAXKQFI-GOSISDBHSA-N 0 0 252.357 3.539 10 0 CHAERN C[C@](O)(Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037530832 173253454 /nfs/dbraw/zinc/25/34/54/173253454.db2.gz DEBMUDCCAMGTJL-HNNXBMFYSA-N 0 0 264.727 3.929 10 0 CHAERN Fc1cccc2[nH]c(CNc3cccc(Cl)c3)nc21 ZINC000037599989 173553586 /nfs/dbraw/zinc/55/35/86/173553586.db2.gz UJMLWWNOAKKGBX-UHFFFAOYSA-N 0 0 275.714 3.968 10 0 CHAERN Cc1ccc(NCc2nc3c(cccc3F)[nH]2)cc1 ZINC000037599978 173553825 /nfs/dbraw/zinc/55/38/25/173553825.db2.gz WDQKEEZXHDQDPF-UHFFFAOYSA-N 0 0 255.296 3.623 10 0 CHAERN C[C@@](O)(c1ccc(Cl)cc1)c1ccccc1F ZINC000037658037 173606042 /nfs/dbraw/zinc/60/60/42/173606042.db2.gz QYNXTJNPHMWWEP-CQSZACIVSA-N 0 0 250.700 3.735 10 0 CHAERN CN(c1ccc(N)cc1C(F)(F)F)C1CCCC1 ZINC000037754519 173677961 /nfs/dbraw/zinc/67/79/61/173677961.db2.gz LWNMTCRCEIAIDY-UHFFFAOYSA-N 0 0 258.287 3.666 10 0 CHAERN CSCCCNc1cccc(Cl)c1-n1cccn1 ZINC000037774974 173707137 /nfs/dbraw/zinc/70/71/37/173707137.db2.gz RPNDLUURDLSQDZ-UHFFFAOYSA-N 0 0 281.812 3.691 10 0 CHAERN CNC(=O)c1cc(NC2CCCCCC2)ccc1Cl ZINC000037778761 173709765 /nfs/dbraw/zinc/70/97/65/173709765.db2.gz FBTCYYHBGKQXAB-UHFFFAOYSA-N 0 0 280.799 3.834 10 0 CHAERN CNC(=O)c1cc(N[C@H]2CCCC[C@@H]2C)ccc1Cl ZINC000037778772 173709918 /nfs/dbraw/zinc/70/99/18/173709918.db2.gz FRXIRZRMHWBJQC-HZMBPMFUSA-N 0 0 280.799 3.690 10 0 CHAERN COC(=O)[C@@]1(Nc2ccccc2Cl)CCCC[C@@H]1C ZINC000037955115 173896409 /nfs/dbraw/zinc/89/64/09/173896409.db2.gz UWBFUOQKUKBRGA-XHDPSFHLSA-N 0 0 281.783 3.874 10 0 CHAERN Cc1cc(C)c([C@H]([NH2+]C2CCCCC2)C(=O)[O-])c(C)c1 ZINC000037971720 173922854 /nfs/dbraw/zinc/92/28/54/173922854.db2.gz ZYFPCFIITKVNDZ-INIZCTEOSA-N 0 0 275.392 3.660 10 0 CHAERN CC[C@H](C)C[C@@](CC)([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971690 173923160 /nfs/dbraw/zinc/92/31/60/173923160.db2.gz VREIHTBSIIUKLZ-SWLSCSKDSA-N 0 0 255.402 3.578 10 0 CHAERN Nc1ccc(Cl)c(Nc2ccc(Br)cn2)c1 ZINC000038033900 174032335 /nfs/dbraw/zinc/03/23/35/174032335.db2.gz MPOYHJKZGCGDGU-UHFFFAOYSA-N 0 0 298.571 3.823 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1c(F)cc(N)cc1F ZINC000038039840 174039565 /nfs/dbraw/zinc/03/95/65/174039565.db2.gz GOMVIPLOOGYVMC-UHFFFAOYSA-N 0 0 274.314 3.940 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1c(F)cc(N)cc1F ZINC000038040305 174040351 /nfs/dbraw/zinc/04/03/51/174040351.db2.gz WJHPEHZDGPQEKX-NOZJJQNGSA-N 0 0 255.308 3.895 10 0 CHAERN CCCn1c(CN[C@H](C)c2ccco2)nc2ccccc21 ZINC000038046772 174056065 /nfs/dbraw/zinc/05/60/65/174056065.db2.gz MYXRVWCJAWZSCN-CYBMUJFWSA-N 0 0 283.375 3.890 10 0 CHAERN Cc1ccc(C(C)C)cc1OCc1csc(N)n1 ZINC000038053044 174064684 /nfs/dbraw/zinc/06/46/84/174064684.db2.gz KJOHOGJZIMQZKM-UHFFFAOYSA-N 0 0 262.378 3.736 10 0 CHAERN Cc1ccccc1COc1cccc2c1NCCC2 ZINC000038056320 174067575 /nfs/dbraw/zinc/06/75/75/174067575.db2.gz WZIQTSRXWSYZHV-UHFFFAOYSA-N 0 0 253.345 3.932 10 0 CHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1cccc(Cl)c1 ZINC000038067737 174079816 /nfs/dbraw/zinc/07/98/16/174079816.db2.gz XGUMBNNNKXBJOC-XHDPSFHLSA-N 0 0 283.799 3.506 10 0 CHAERN Nc1ccc(NC(=O)Nc2cccc(F)c2)c(Cl)c1 ZINC000038076188 174086640 /nfs/dbraw/zinc/08/66/40/174086640.db2.gz DOCLLBLIENHYAI-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN CCCOc1ccc(Oc2nsnc2Cl)cc1 ZINC000038082382 174091099 /nfs/dbraw/zinc/09/10/99/174091099.db2.gz XVSHHLRPBBPMIR-UHFFFAOYSA-N 0 0 270.741 3.773 10 0 CHAERN Cc1nn2c(nc(C)cc2Cl)c1-c1cccc(C)c1 ZINC000038478140 174142154 /nfs/dbraw/zinc/14/21/54/174142154.db2.gz MEKMWDDYOMQGNF-UHFFFAOYSA-N 0 0 271.751 3.975 10 0 CHAERN CCCCc1ccncc1NC(=O)c1ccccc1 ZINC000039073226 174162566 /nfs/dbraw/zinc/16/25/66/174162566.db2.gz RNBSPBYBMUUXPD-UHFFFAOYSA-N 0 0 254.333 3.677 10 0 CHAERN O=c1c(Cl)c2n(c3ccccc13)Cc1ccccc1O2 ZINC000039123898 174163831 /nfs/dbraw/zinc/16/38/31/174163831.db2.gz MAWBAAFCYQYINO-UHFFFAOYSA-N 0 0 283.714 3.809 10 0 CHAERN CCSc1nn2cc(-c3ccc(OC)cc3)nc2s1 ZINC000039239037 174166762 /nfs/dbraw/zinc/16/67/62/174166762.db2.gz IASDLRMDYVPQSE-UHFFFAOYSA-N 0 0 291.401 3.578 10 0 CHAERN C=C(c1ccccc1)n1c2ccccc2n(C(C)C)c1=O ZINC000039270840 174167879 /nfs/dbraw/zinc/16/78/79/174167879.db2.gz VFZMNLNXUDYFQY-UHFFFAOYSA-N 0 0 278.355 3.903 10 0 CHAERN CCCOC(=O)CSc1cc(C)c2ccccc2n1 ZINC000040166062 174197662 /nfs/dbraw/zinc/19/76/62/174197662.db2.gz LIXQFYKQSLQDCB-UHFFFAOYSA-N 0 0 275.373 3.589 10 0 CHAERN OCc1ccc(O[C@H]2CCCc3ccccc32)c(F)c1 ZINC000040176622 174202320 /nfs/dbraw/zinc/20/23/20/174202320.db2.gz NMFJKMJRTMXYCJ-INIZCTEOSA-N 0 0 272.319 3.774 10 0 CHAERN CCOc1ccccc1OCCn1c(C)nc2ccccc21 ZINC000040224644 174208255 /nfs/dbraw/zinc/20/82/55/174208255.db2.gz OUDKZWYMMCJBRJ-UHFFFAOYSA-N 0 0 296.370 3.822 10 0 CHAERN CCOc1ccccc1CNc1cccc(F)c1F ZINC000040229871 174209464 /nfs/dbraw/zinc/20/94/64/174209464.db2.gz DFZLKLGOCGYPJU-UHFFFAOYSA-N 0 0 263.287 3.976 10 0 CHAERN CC[C@H](O)c1cc(Cl)cc(Br)c1OC ZINC000040241916 174213745 /nfs/dbraw/zinc/21/37/45/174213745.db2.gz OEWUJQBWDHDLSX-VIFPVBQESA-N 0 0 279.561 3.555 10 0 CHAERN Cc1cc2nc(CO)n(C/C=C/c3ccccc3)c2cc1C ZINC000040308910 174229674 /nfs/dbraw/zinc/22/96/74/174229674.db2.gz AWFXBVIQAPJGOS-RMKNXTFCSA-N 0 0 292.382 3.859 10 0 CHAERN CC[C@@H](Oc1ccccc1N)C(=O)c1ccc(C)cc1 ZINC000040352514 174245131 /nfs/dbraw/zinc/24/51/31/174245131.db2.gz DGYCRBBZSWLYHO-OAHLLOKOSA-N 0 0 269.344 3.618 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2cc(C)ccc2C)c(N)c1 ZINC000040354406 174245399 /nfs/dbraw/zinc/24/53/99/174245399.db2.gz VYHRPEODRBRKEX-CQSZACIVSA-N 0 0 283.371 3.844 10 0 CHAERN CC(C)c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402119 174253035 /nfs/dbraw/zinc/25/30/35/174253035.db2.gz QVPYFUUWFGIXMP-UHFFFAOYSA-N 0 0 286.297 3.561 10 0 CHAERN COCCn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040404811 174254174 /nfs/dbraw/zinc/25/41/74/174254174.db2.gz OOMYXUDIGKQYHB-UHFFFAOYSA-N 0 0 276.723 3.596 10 0 CHAERN CCOCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040405260 174254214 /nfs/dbraw/zinc/25/42/14/174254214.db2.gz YMXGMDWYNLMCPX-UHFFFAOYSA-N 0 0 290.750 3.986 10 0 CHAERN CCc1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409795 174254658 /nfs/dbraw/zinc/25/46/58/174254658.db2.gz HAVOZDUHIAVILC-UHFFFAOYSA-N 0 0 260.724 3.893 10 0 CHAERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2N)cc1C ZINC000040680396 174374776 /nfs/dbraw/zinc/37/47/76/174374776.db2.gz JXFBYJXLAAHHKY-UHFFFAOYSA-N 0 0 285.395 3.630 10 0 CHAERN Cc1ccc(C)c(Nc2ncnc(NC3CCCC3)c2N)c1 ZINC000040704703 174378978 /nfs/dbraw/zinc/37/89/78/174378978.db2.gz MNGWCDCXTWHCDE-UHFFFAOYSA-N 0 0 297.406 3.774 10 0 CHAERN Nc1c(NC2CCCCC2)ncnc1Oc1ccccc1 ZINC000040708677 174380098 /nfs/dbraw/zinc/38/00/98/174380098.db2.gz ADSYBOGVOUEQDZ-UHFFFAOYSA-N 0 0 284.363 3.596 10 0 CHAERN C[C@@H](O)c1ccc(Oc2cccc(N(C)C)c2)cc1 ZINC000040714789 174382348 /nfs/dbraw/zinc/38/23/48/174382348.db2.gz CQKVWDKVGJATJH-GFCCVEGCSA-N 0 0 257.333 3.598 10 0 CHAERN CCOc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040778699 174403693 /nfs/dbraw/zinc/40/36/93/174403693.db2.gz LTSVIOUGJKMMSE-UHFFFAOYSA-N 0 0 299.161 3.508 10 0 CHAERN Cc1ccc(COc2ccc([C@H](C)O)cc2C)cc1 ZINC000041326748 174523011 /nfs/dbraw/zinc/52/30/11/174523011.db2.gz QEGFQQLMVYCIGB-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN CC(C)c1ccc([C@@H](O)c2ccc(N(C)C)cc2)cc1 ZINC000041390157 174544607 /nfs/dbraw/zinc/54/46/07/174544607.db2.gz MEJWJPTUPPMCHE-GOSISDBHSA-N 0 0 269.388 3.958 10 0 CHAERN O=C1Nc2ccc(Br)cc2[C@H]1C1CCCC1 ZINC000041435344 174552085 /nfs/dbraw/zinc/55/20/85/174552085.db2.gz QQKOGEXZNFEXFR-GFCCVEGCSA-N 0 0 280.165 3.675 10 0 CHAERN COc1ccc(C[C@H](CO)Cc2ccccc2Cl)cc1 ZINC000041477934 174559196 /nfs/dbraw/zinc/55/91/96/174559196.db2.gz PBAMNRBQTYXGNN-AWEZNQCLSA-N 0 0 290.790 3.742 10 0 CHAERN OC[C@H](Cc1cccc(Br)c1)c1ccccc1 ZINC000041478524 174559282 /nfs/dbraw/zinc/55/92/82/174559282.db2.gz IHZFOYOBWCHKPW-AWEZNQCLSA-N 0 0 291.188 3.768 10 0 CHAERN COc1ccc(OC)c([C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000041482854 174560169 /nfs/dbraw/zinc/56/01/69/174560169.db2.gz ROSNIZYHXSPWAP-HNNXBMFYSA-N 0 0 292.762 3.633 10 0 CHAERN COc1ccc([C@@H](O)Cc2cccc(Cl)c2)c(OC)c1 ZINC000041482856 174560330 /nfs/dbraw/zinc/56/03/30/174560330.db2.gz YRQQVBXHUGJOPF-HNNXBMFYSA-N 0 0 292.762 3.633 10 0 CHAERN C[C@@H]1CCC[C@H](OC(=O)c2ccc(N)cc2Cl)C1 ZINC000042290016 174675180 /nfs/dbraw/zinc/67/51/80/174675180.db2.gz ABRNHUWXISTKCD-KOLCDFICSA-N 0 0 267.756 3.658 10 0 CHAERN C[C@H]1CCCC[C@@H]1N(C)c1c(F)cc(N)cc1F ZINC000042603280 174818583 /nfs/dbraw/zinc/81/85/83/174818583.db2.gz MDJOQZQLLLXLPS-ZANVPECISA-N 0 0 254.324 3.562 10 0 CHAERN FC(F)(F)c1[nH]nc2c1CSc1ccccc1-2 ZINC000043463748 175052557 /nfs/dbraw/zinc/05/25/57/175052557.db2.gz ICVALCAMHYINHH-UHFFFAOYSA-N 0 0 256.252 3.701 10 0 CHAERN COc1ccc(C)cc1NCc1ccc(O)c(Cl)c1 ZINC000043476777 175054558 /nfs/dbraw/zinc/05/45/58/175054558.db2.gz JIAKDEXDPOLZBJ-UHFFFAOYSA-N 0 0 277.751 3.975 10 0 CHAERN CC(C)(C)C(=O)C1=C(O)CC[C@H](c2ccccc2)C1 ZINC000043651803 175085444 /nfs/dbraw/zinc/08/54/44/175085444.db2.gz LZAOMFQNAWJGIW-UONOGXRCSA-N 0 0 258.361 3.755 10 0 CHAERN Cc1nn([C@H](C)c2ccc(Cl)s2)c(N)c1Cl ZINC000043667901 175086889 /nfs/dbraw/zinc/08/68/89/175086889.db2.gz YGQFFIATQGKIIR-ZCFIWIBFSA-N 0 0 276.192 3.751 10 0 CHAERN Brc1ccc(COCc2ccco2)s1 ZINC000043679148 175089812 /nfs/dbraw/zinc/08/98/12/175089812.db2.gz YNAFYHJXRLTCQF-UHFFFAOYSA-N 0 0 273.151 3.820 10 0 CHAERN Cc1cc(C)c([C@H](O)CN(C)c2ccccc2)c(C)c1 ZINC000044116743 175141821 /nfs/dbraw/zinc/14/18/21/175141821.db2.gz SKOHSKOKLMBXPB-QGZVFWFLSA-N 0 0 269.388 3.782 10 0 CHAERN Fc1cccc(-c2ncc(Br)s2)c1 ZINC000044120437 175142844 /nfs/dbraw/zinc/14/28/44/175142844.db2.gz IEKUAMMKJANLGT-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN CCN(C[C@H](O)c1cc(C)ccc1C)c1ccccc1 ZINC000044122056 175143406 /nfs/dbraw/zinc/14/34/06/175143406.db2.gz QUDHYDCEOVPJHL-SFHVURJKSA-N 0 0 269.388 3.863 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N)cc1 ZINC000044135411 175145607 /nfs/dbraw/zinc/14/56/07/175145607.db2.gz USGKAXIJKNBDSV-CQSZACIVSA-N 0 0 276.380 3.731 10 0 CHAERN Cc1ccc(C[C@@H](O)Cc2ccccc2Cl)cc1 ZINC000044266397 175158066 /nfs/dbraw/zinc/15/80/66/175158066.db2.gz CMNUCOXLCZWILI-OAHLLOKOSA-N 0 0 260.764 3.795 10 0 CHAERN Cc1csc(CNc2ccc(C(F)(F)F)cc2N)n1 ZINC000044388642 175170476 /nfs/dbraw/zinc/17/04/76/175170476.db2.gz MESDKQNUIDKMPC-UHFFFAOYSA-N 0 0 287.310 3.665 10 0 CHAERN CCC(O)(CC)c1cccc(C(O)(CC)CC)c1 ZINC000045028206 175293512 /nfs/dbraw/zinc/29/35/12/175293512.db2.gz DBVBDLSFXMYKIU-UHFFFAOYSA-N 0 0 250.382 3.702 10 0 CHAERN COc1ccc(-c2nc(C(C)C)sc2N)cc1C ZINC000050597666 175518211 /nfs/dbraw/zinc/51/82/11/175518211.db2.gz PNILQIRUJMHOCG-UHFFFAOYSA-N 0 0 262.378 3.833 10 0 CHAERN C[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCS1 ZINC000171579713 335071849 /nfs/dbraw/zinc/07/18/49/335071849.db2.gz UTCFCUGFLYHPES-QMMMGPOBSA-N 0 0 290.215 3.571 10 0 CHAERN COc1ccc(-c2cc(F)cc(Cl)c2)cc1O ZINC000065342636 175712301 /nfs/dbraw/zinc/71/23/01/175712301.db2.gz PGNQRLGHMCTIPC-UHFFFAOYSA-N 0 0 252.672 3.860 10 0 CHAERN C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCS1 ZINC000171580306 335071893 /nfs/dbraw/zinc/07/18/93/335071893.db2.gz SPELIVDHJFRPMB-QMMMGPOBSA-N 0 0 290.215 3.571 10 0 CHAERN Clc1ccccc1-c1cc2c(Cl)nccn2n1 ZINC000070459096 175941726 /nfs/dbraw/zinc/94/17/26/175941726.db2.gz ZLINLONWFSDURX-UHFFFAOYSA-N 0 0 264.115 3.703 10 0 CHAERN CCC(CC)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000070705377 176002684 /nfs/dbraw/zinc/00/26/84/176002684.db2.gz CSXHAUZAOYQITP-JTQLQIEISA-N 0 0 253.773 3.953 10 0 CHAERN Fc1ccc(NCCOc2cc(F)ccc2F)cc1 ZINC000071168949 176050073 /nfs/dbraw/zinc/05/00/73/176050073.db2.gz ZQISYOASHVWEPW-UHFFFAOYSA-N 0 0 267.250 3.595 10 0 CHAERN COc1ccc(Sc2nnc(Cl)c(C)c2C)cc1 ZINC000071187213 176060818 /nfs/dbraw/zinc/06/08/18/176060818.db2.gz LSLZLGJOQBXBDH-UHFFFAOYSA-N 0 0 280.780 3.907 10 0 CHAERN Cc1nc2cc(N[C@@H]3CCC[C@@H]3C)c(N)cc2s1 ZINC000071206906 176080526 /nfs/dbraw/zinc/08/05/26/176080526.db2.gz FAAZSSZRMZZTSJ-GZMMTYOYSA-N 0 0 261.394 3.787 10 0 CHAERN C[C@@H]1CCC[C@H]1Nc1nnc(Cl)c2ccccc21 ZINC000071210659 176082809 /nfs/dbraw/zinc/08/28/09/176082809.db2.gz JNSNAAJTPQQOAI-BXKDBHETSA-N 0 0 261.756 3.884 10 0 CHAERN NC(=S)c1cc(F)ccc1COc1ccccc1Cl ZINC000071266437 176099757 /nfs/dbraw/zinc/09/97/57/176099757.db2.gz RBEZXYYCOOOCMQ-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN Cc1ccc(N2Cc3ccc(F)cc3C2=N)cc1F ZINC000071268617 176102315 /nfs/dbraw/zinc/10/23/15/176102315.db2.gz VPLYILKVQLSAIK-UHFFFAOYSA-N 0 0 258.271 3.619 10 0 CHAERN CCOc1ccc([C@@H](C)Nc2cnccc2C)cc1 ZINC000071413255 176158465 /nfs/dbraw/zinc/15/84/65/176158465.db2.gz ANYXIDMUNJYSIX-CYBMUJFWSA-N 0 0 256.349 3.962 10 0 CHAERN COc1ccc(C)cc1CC(C)(C)Br ZINC000071424260 176160878 /nfs/dbraw/zinc/16/08/78/176160878.db2.gz HHAJKXMLIYXHOU-UHFFFAOYSA-N 0 0 257.171 3.720 10 0 CHAERN CCCc1ccc2c(ccnc2Br)c1 ZINC000071482578 176188997 /nfs/dbraw/zinc/18/89/97/176188997.db2.gz ORKHCJIFWSUBIS-UHFFFAOYSA-N 0 0 250.139 3.950 10 0 CHAERN CCc1cccc2c(Br)c(C)n(C)c21 ZINC000071494970 176191792 /nfs/dbraw/zinc/19/17/92/176191792.db2.gz YASPHPAUCSVOSX-UHFFFAOYSA-N 0 0 252.155 3.812 10 0 CHAERN Cc1cccc(Nc2ncc(Br)cn2)c1C ZINC000071628970 176235882 /nfs/dbraw/zinc/23/58/82/176235882.db2.gz UPCIWFZLHZXKCH-UHFFFAOYSA-N 0 0 278.153 3.600 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000072094888 176315065 /nfs/dbraw/zinc/31/50/65/176315065.db2.gz IYSUSEOBKDROMA-SKDRFNHKSA-N 0 0 285.309 3.508 10 0 CHAERN Fc1ccc(-c2nc(Cl)cc(Cl)n2)cc1F ZINC000072193245 176336637 /nfs/dbraw/zinc/33/66/37/176336637.db2.gz WQXIERIJINIMQW-UHFFFAOYSA-N 0 0 261.058 3.729 10 0 CHAERN CC(C)(C)c1ccc(-n2cc(Br)cn2)cc1 ZINC000072193400 176336716 /nfs/dbraw/zinc/33/67/16/176336716.db2.gz RXHKMHVEVFAOTB-UHFFFAOYSA-N 0 0 279.181 3.932 10 0 CHAERN Clc1ccc(-c2cccc(Br)n2)nc1 ZINC000072204074 176341839 /nfs/dbraw/zinc/34/18/39/176341839.db2.gz AMQDZQCRSJFPCT-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1cccc(/C=C/c2ccnc(N3CCCC3)n2)c1 ZINC000072443590 176404011 /nfs/dbraw/zinc/40/40/11/176404011.db2.gz NBOOQYHVEUVZEN-BQYQJAHWSA-N 0 0 265.360 3.556 10 0 CHAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Nc1ccccc1 ZINC000073654798 176483244 /nfs/dbraw/zinc/48/32/44/176483244.db2.gz DCZVOOVPKQECMV-UKRRQHHQSA-N 0 0 290.407 3.744 10 0 CHAERN O=C1CCC[C@H](c2cc(Br)cs2)C1 ZINC000076317980 176984690 /nfs/dbraw/zinc/98/46/90/176984690.db2.gz WJKFJYLWKXNAOW-ZETCQYMHSA-N 0 0 259.168 3.737 10 0 CHAERN OCc1cn(CCCc2ccccc2)c2ccccc12 ZINC000077009341 177145390 /nfs/dbraw/zinc/14/53/90/177145390.db2.gz OYSRZGVSKCUBKR-UHFFFAOYSA-N 0 0 265.356 3.766 10 0 CHAERN OCc1cn(Cc2ccccc2)c2ccc(Cl)cc12 ZINC000077012145 177147295 /nfs/dbraw/zinc/14/72/95/177147295.db2.gz BLNZLJVXYRBKDX-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)C(C)C)cc2)n1 ZINC000078755227 177382358 /nfs/dbraw/zinc/38/23/58/177382358.db2.gz AUOIAOQQNNMPKC-CYBMUJFWSA-N 0 0 298.390 3.618 10 0 CHAERN O=C(C1CCCCCC1)N1CCC(c2nccs2)CC1 ZINC000334961983 225377326 /nfs/dbraw/zinc/37/73/26/225377326.db2.gz XTOOJDAAZAXPFY-UHFFFAOYSA-N 0 0 292.448 3.820 10 0 CHAERN CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171748708 335077451 /nfs/dbraw/zinc/07/74/51/335077451.db2.gz DUPLAHNHYPBKPK-CHWSQXEVSA-N 0 0 293.357 3.907 10 0 CHAERN C[C@H](COc1ccc(F)cc1)Nc1ncnc2ccccc21 ZINC000301064126 227436658 /nfs/dbraw/zinc/43/66/58/227436658.db2.gz CYMKVEODNCARSZ-GFCCVEGCSA-N 0 0 297.333 3.648 10 0 CHAERN Cc1cc(N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)nnc1C ZINC000302250243 227833834 /nfs/dbraw/zinc/83/38/34/227833834.db2.gz AGALMHQUTDOPJR-BLLLJJGKSA-N 0 0 297.402 3.979 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000336183748 228208453 /nfs/dbraw/zinc/20/84/53/228208453.db2.gz PDBJPHBUWZTEPV-ZWNOBZJWSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1nc(C(C)C)oc1COc1ccc2c(c1)CCC2=O ZINC000333235800 228194536 /nfs/dbraw/zinc/19/45/36/228194536.db2.gz HQEYDXORNTUBAK-UHFFFAOYSA-N 0 0 285.343 3.814 10 0 CHAERN Cc1coc(-c2ccc(C)c(NC(=O)N3CC4(CC4)C3)c2)n1 ZINC000333513239 228202476 /nfs/dbraw/zinc/20/24/76/228202476.db2.gz MKNVVHOOLUICGG-UHFFFAOYSA-N 0 0 297.358 3.586 10 0 CHAERN C[C@@H]1CCC[C@@H]1C(=O)N1Cc2cccc(Cl)c2C1 ZINC000336241238 228220296 /nfs/dbraw/zinc/22/02/96/228220296.db2.gz SISQSLICKZRIOV-PWSUYJOCSA-N 0 0 263.768 3.618 10 0 CHAERN Cc1ccc([C@H](C)Nc2cc(-n3cnnn3)ccc2C)s1 ZINC000037011873 260061833 /nfs/dbraw/zinc/06/18/33/260061833.db2.gz BKKZNOAWFYAYFC-LBPRGKRZSA-N 0 0 299.403 3.514 10 0 CHAERN CC(C)N(C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CCOCC1 ZINC000180693077 260108815 /nfs/dbraw/zinc/10/88/15/260108815.db2.gz WSPLVKKAXKVGRD-HUUCEWRRSA-N 0 0 295.467 3.865 10 0 CHAERN CCCc1nc(CN2CCCc3c(N)cccc32)cs1 ZINC000037906043 260120059 /nfs/dbraw/zinc/12/00/59/260120059.db2.gz INQVNPMMCHUYKO-UHFFFAOYSA-N 0 0 287.432 3.631 10 0 CHAERN Cc1ccsc1[C@@H](C)Nc1cc(-n2cnnn2)ccc1C ZINC000070090827 260151917 /nfs/dbraw/zinc/15/19/17/260151917.db2.gz SPSJOVOQWIELTN-GFCCVEGCSA-N 0 0 299.403 3.514 10 0 CHAERN FC(F)(F)c1cccc(N[C@H]2COc3ccccc32)n1 ZINC000070199118 260154244 /nfs/dbraw/zinc/15/42/44/260154244.db2.gz VPPLNBDHTVKXGO-JTQLQIEISA-N 0 0 280.249 3.646 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1nccc(C(F)(F)F)n1 ZINC000070275871 260155538 /nfs/dbraw/zinc/15/55/38/260155538.db2.gz MRTORLNHWFELDJ-JTQLQIEISA-N 0 0 281.281 3.977 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000070443334 260157905 /nfs/dbraw/zinc/15/79/05/260157905.db2.gz RNSKVVOCKIHESC-VIFPVBQESA-N 0 0 269.270 3.612 10 0 CHAERN CC[C@@H](Nc1nccc(C(F)(F)F)n1)c1nccs1 ZINC000077898316 260167309 /nfs/dbraw/zinc/16/73/09/260167309.db2.gz SLJOOFABSNXZMC-SSDOTTSWSA-N 0 0 288.298 3.515 10 0 CHAERN CC[C@@H](NCc1ccc2ccccc2n1)c1nccs1 ZINC000078004537 260167889 /nfs/dbraw/zinc/16/78/89/260167889.db2.gz RXPLBMNIJRVMKS-CQSZACIVSA-N 0 0 283.400 3.932 10 0 CHAERN COc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)cc1 ZINC000312607908 260179838 /nfs/dbraw/zinc/17/98/38/260179838.db2.gz PUEACJYKMCYEIE-GFCCVEGCSA-N 0 0 273.380 3.725 10 0 CHAERN Cc1ccc(Br)cc1C(=O)N[C@H](C)C(C)C ZINC000087743264 260224031 /nfs/dbraw/zinc/22/40/31/260224031.db2.gz OQLDOMBHOYYJKQ-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN Cc1ccc(C(=O)N(C)C)cc1NCC1CCC(C)CC1 ZINC000089575926 260237750 /nfs/dbraw/zinc/23/77/50/260237750.db2.gz PSBZKPBMQNWLPL-UHFFFAOYSA-N 0 0 288.435 3.935 10 0 CHAERN CCCn1ccc(CNc2ccc(-n3cccn3)cc2)c1 ZINC000091010751 260264702 /nfs/dbraw/zinc/26/47/02/260264702.db2.gz RRRSVLHQENFIOP-UHFFFAOYSA-N 0 0 280.375 3.696 10 0 CHAERN CCCn1ccc(CNc2ccc(F)c(NC(C)=O)c2)c1 ZINC000091012311 260264771 /nfs/dbraw/zinc/26/47/71/260264771.db2.gz LOZWPAUQYFQMQW-UHFFFAOYSA-N 0 0 289.354 3.608 10 0 CHAERN CCn1cccc1CNc1ccc(N2CCCC2)cc1 ZINC000091024759 260265226 /nfs/dbraw/zinc/26/52/26/260265226.db2.gz GECWBUCHWVNGBG-UHFFFAOYSA-N 0 0 269.392 3.720 10 0 CHAERN Cc1ncccc1N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000091496095 260266332 /nfs/dbraw/zinc/26/63/32/260266332.db2.gz XKZPCVJIRSIGQB-GFCCVEGCSA-N 0 0 284.359 3.724 10 0 CHAERN COc1ccc([C@@H](C)Nc2cccnc2C)c(OC)c1 ZINC000091495925 260266535 /nfs/dbraw/zinc/26/65/35/260266535.db2.gz AGVNGILPZFQXLG-LLVKDONJSA-N 0 0 272.348 3.580 10 0 CHAERN C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)C(C)(C)C ZINC000092672939 260271799 /nfs/dbraw/zinc/27/17/99/260271799.db2.gz ABEJLPKLNRXVFO-VIFPVBQESA-N 0 0 291.363 3.529 10 0 CHAERN NN[C@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000161793337 260304691 /nfs/dbraw/zinc/30/46/91/260304691.db2.gz GKSCWJZQEMZYLM-CYBMUJFWSA-N 0 0 267.159 3.546 10 0 CHAERN Cc1cc(CN[C@@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000211744815 260309171 /nfs/dbraw/zinc/30/91/71/260309171.db2.gz KOYZWFBJRCVYOW-BDJLRTHQSA-N 0 0 256.349 3.711 10 0 CHAERN CCn1ccnc1CSCc1coc(-c2ccccc2)n1 ZINC000083632195 260353906 /nfs/dbraw/zinc/35/39/06/260353906.db2.gz DDHPLQYUJFRLKT-UHFFFAOYSA-N 0 0 299.399 3.991 10 0 CHAERN O=C(CC1CCCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000130242317 260394298 /nfs/dbraw/zinc/39/42/98/260394298.db2.gz OXGSYCJADFZSBC-WMZOPIPTSA-N 0 0 293.451 3.501 10 0 CHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(C)c(C)cc1C ZINC000090224946 260456864 /nfs/dbraw/zinc/45/68/64/260456864.db2.gz RHAPBMUKPUTAKB-YOEHRIQHSA-N 0 0 298.434 3.697 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1ccccc1C ZINC000091036853 260471610 /nfs/dbraw/zinc/47/16/10/260471610.db2.gz BSKMMIZDIXLPKM-GFCCVEGCSA-N 0 0 275.421 3.909 10 0 CHAERN Cc1oc(-c2cccs2)nc1COc1ccc(C)nc1 ZINC000101541004 260958311 /nfs/dbraw/zinc/95/83/11/260958311.db2.gz OZXUCJMBBMDYKA-UHFFFAOYSA-N 0 0 286.356 3.994 10 0 CHAERN C[C@H](c1cccnc1)N(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152700884 261068416 /nfs/dbraw/zinc/06/84/16/261068416.db2.gz JKWVNZPYQOKMKB-XYPHTWIQSA-N 0 0 286.419 3.817 10 0 CHAERN CCc1onc(C)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000153944805 261085648 /nfs/dbraw/zinc/08/56/48/261085648.db2.gz BJGKZCOLQIYDAP-OLZOCXBDSA-N 0 0 276.380 3.700 10 0 CHAERN CCc1onc(C)c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000153945007 261085715 /nfs/dbraw/zinc/08/57/15/261085715.db2.gz BJGKZCOLQIYDAP-STQMWFEESA-N 0 0 276.380 3.700 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CO[C@H](C)CC)o1 ZINC000155198136 261099554 /nfs/dbraw/zinc/09/95/54/261099554.db2.gz UMAZOFVMZZZQRI-UKRRQHHQSA-N 0 0 293.407 3.711 10 0 CHAERN CCN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000155520483 261103141 /nfs/dbraw/zinc/10/31/41/261103141.db2.gz OKKVUGZGYPZPMO-CVEARBPZSA-N 0 0 272.392 3.651 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccsc2)o1 ZINC000157224700 261142105 /nfs/dbraw/zinc/14/21/05/261142105.db2.gz RHIYWSDZPXGPDP-VIFPVBQESA-N 0 0 250.323 3.532 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000173662581 261168174 /nfs/dbraw/zinc/16/81/74/261168174.db2.gz WCGZMVHAHWKFKY-JTQLQIEISA-N 0 0 288.313 3.957 10 0 CHAERN Cc1ccccc1OCCCC(=O)N1CCCC1(C)C ZINC000102918868 261272483 /nfs/dbraw/zinc/27/24/83/261272483.db2.gz HVACGBXLAKNRNM-UHFFFAOYSA-N 0 0 275.392 3.555 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000176332289 261278831 /nfs/dbraw/zinc/27/88/31/261278831.db2.gz OESOJAIEKWCSDU-UONOGXRCSA-N 0 0 274.408 3.886 10 0 CHAERN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1F ZINC000105414389 261310384 /nfs/dbraw/zinc/31/03/84/261310384.db2.gz LQEUUHOLHPKLFX-QGZVFWFLSA-N 0 0 296.345 3.863 10 0 CHAERN Clc1ccc(SCc2nc(-c3ccoc3)no2)nc1 ZINC000105573336 261312170 /nfs/dbraw/zinc/31/21/70/261312170.db2.gz IPOSZHSTTXKWSB-UHFFFAOYSA-N 0 0 293.735 3.670 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000105852089 261317553 /nfs/dbraw/zinc/31/75/53/261317553.db2.gz SCOVOKGRDAJNTK-OAHLLOKOSA-N 0 0 291.439 3.579 10 0 CHAERN O=C(c1cccc2ccccc21)N1Cc2ccccc2C1 ZINC000105981429 261322156 /nfs/dbraw/zinc/32/21/56/261322156.db2.gz VKLNVZYQVKBYMB-UHFFFAOYSA-N 0 0 273.335 3.996 10 0 CHAERN COc1ccc([C@H](C)Nc2nc3ccccc3[nH]2)cc1OC ZINC000301086819 261329781 /nfs/dbraw/zinc/32/97/81/261329781.db2.gz MDHAEKHNHHOUCJ-NSHDSACASA-N 0 0 297.358 3.753 10 0 CHAERN CS[C@@H]1CC[C@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302526099 261353125 /nfs/dbraw/zinc/35/31/25/261353125.db2.gz BLZVFNROBRFKFV-WCBMZHEXSA-N 0 0 292.326 3.676 10 0 CHAERN CCC[C@H]1C[C@@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302749458 261354833 /nfs/dbraw/zinc/35/48/33/261354833.db2.gz GPVHHLFTPYPZRH-BQBZGAKWSA-N 0 0 250.289 3.762 10 0 CHAERN CC(C)Cc1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164628073 261355906 /nfs/dbraw/zinc/35/59/06/261355906.db2.gz OLFVYKMATVEVGT-WMLDXEAASA-N 0 0 298.434 3.662 10 0 CHAERN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000172693040 261507519 /nfs/dbraw/zinc/50/75/19/261507519.db2.gz ZECGUZPOGGZEBP-WBMJQRKESA-N 0 0 299.345 3.569 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N(CC(F)(F)F)C1CCC1 ZINC000175971762 261632525 /nfs/dbraw/zinc/63/25/25/261632525.db2.gz IKFPRCJIIZLECD-UHFFFAOYSA-N 0 0 296.292 3.725 10 0 CHAERN CC(C)n1ccnc1CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184794307 262029232 /nfs/dbraw/zinc/02/92/32/262029232.db2.gz KTLZBQMWWOHCAL-CYBMUJFWSA-N 0 0 295.386 3.544 10 0 CHAERN O=C(N[C@H]1CCOc2ccccc21)C1=CCCCCC1 ZINC000185446424 262054765 /nfs/dbraw/zinc/05/47/65/262054765.db2.gz XJMFUJLAXQPHKL-HNNXBMFYSA-N 0 0 271.360 3.517 10 0 CHAERN CCSCCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000185587458 262060917 /nfs/dbraw/zinc/06/09/17/262060917.db2.gz SBAZJTZSCPPGTJ-QWHCGFSZSA-N 0 0 297.489 3.739 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(C)cc2C)C12CCOCC2 ZINC000186473233 262094904 /nfs/dbraw/zinc/09/49/04/262094904.db2.gz UNUKJAAGLDRKLU-IRXDYDNUSA-N 0 0 289.419 3.690 10 0 CHAERN Cc1c(CNc2nc3ccc(Cl)cc3s2)cnn1C ZINC000225938095 262305342 /nfs/dbraw/zinc/30/53/42/262305342.db2.gz MWAZADVYSWCNLD-UHFFFAOYSA-N 0 0 292.795 3.604 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000171930430 335085548 /nfs/dbraw/zinc/08/55/48/335085548.db2.gz DVLQFNNLUMNLFF-NXEZZACHSA-N 0 0 271.763 3.948 10 0 CHAERN Cc1nc(Cl)cc(NCCCCC(F)(F)F)n1 ZINC000128949991 264304982 /nfs/dbraw/zinc/30/49/82/264304982.db2.gz GOWUPHVOIVBJCY-UHFFFAOYSA-N 0 0 267.682 3.583 10 0 CHAERN FC(F)(F)CCCCNc1ncnc2sccc21 ZINC000128962739 264312902 /nfs/dbraw/zinc/31/29/02/264312902.db2.gz FJESJVPOCJFJIP-UHFFFAOYSA-N 0 0 275.299 3.836 10 0 CHAERN Clc1cc(N2CC[C@H]3CCCC[C@@H]32)nc(C2CC2)n1 ZINC000163014792 264338898 /nfs/dbraw/zinc/33/88/98/264338898.db2.gz QBNZAUZHRFGDJP-PWSUYJOCSA-N 0 0 277.799 3.776 10 0 CHAERN CCc1cc(C)c(C(=O)N[C@@H]2CCCc3c(O)cccc32)o1 ZINC000190257760 264396325 /nfs/dbraw/zinc/39/63/25/264396325.db2.gz KIRZYXROTNIQCJ-OAHLLOKOSA-N 0 0 299.370 3.663 10 0 CHAERN C[C@H](O)[C@H](C)Oc1ccc2ccccc2c1Br ZINC000094654912 265249016 /nfs/dbraw/zinc/24/90/16/265249016.db2.gz BHBWSPVKWHFMJF-UWVGGRQHSA-N 0 0 295.176 3.750 10 0 CHAERN C[C@@H](O)[C@@H](C)Oc1ccc2cc(Br)ccc2c1 ZINC000094654891 265249067 /nfs/dbraw/zinc/24/90/67/265249067.db2.gz YUKIWERCJVRVOB-NXEZZACHSA-N 0 0 295.176 3.750 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2)cc1F ZINC000094820590 265258434 /nfs/dbraw/zinc/25/84/34/265258434.db2.gz MUGZCNDBRLEIGG-GFCCVEGCSA-N 0 0 257.308 3.625 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1O ZINC000094962044 265279349 /nfs/dbraw/zinc/27/93/49/265279349.db2.gz ZOWNHVRYLFBPPE-LBPRGKRZSA-N 0 0 287.334 3.639 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116048212 267121254 /nfs/dbraw/zinc/12/12/54/267121254.db2.gz LOHRJVOGAOMZQO-LLVKDONJSA-N 0 0 261.346 3.627 10 0 CHAERN Cc1cc(F)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117571219 267216011 /nfs/dbraw/zinc/21/60/11/267216011.db2.gz NIDBIZHMZJAEGX-ZBEGNZNMSA-N 0 0 285.318 3.637 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)o1 ZINC000117755705 267221535 /nfs/dbraw/zinc/22/15/35/267221535.db2.gz AAFBHKQMQFLZPM-KBPBESRZSA-N 0 0 299.370 3.722 10 0 CHAERN CS[C@H](C)CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000119105324 267301743 /nfs/dbraw/zinc/30/17/43/267301743.db2.gz MNHBYSSEPGORNK-LALPHHSUSA-N 0 0 292.448 3.676 10 0 CHAERN CSCCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000122003527 267794880 /nfs/dbraw/zinc/79/48/80/267794880.db2.gz HISGZCUCFHZPMD-ZDUSSCGKSA-N 0 0 293.432 3.548 10 0 CHAERN Fc1ccc(COc2ccc(Cl)cc2)c(F)c1 ZINC000575154698 327653948 /nfs/dbraw/zinc/65/39/48/327653948.db2.gz FIHHYTUFVUSHDB-UHFFFAOYSA-N 0 0 253.655 3.861 10 0 CHAERN CCn1ccnc1CSCCOc1cccc(Cl)c1 ZINC000175272903 327664761 /nfs/dbraw/zinc/66/47/61/327664761.db2.gz RMGPEXWGSIEPTQ-UHFFFAOYSA-N 0 0 296.823 3.869 10 0 CHAERN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1cc2ccccc2s1 ZINC000170956288 327680061 /nfs/dbraw/zinc/68/00/61/327680061.db2.gz IZLRXMVVAXKVBO-JBLDHEPKSA-N 0 0 274.389 3.670 10 0 CHAERN CC/C=C(\C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178240391 327793302 /nfs/dbraw/zinc/79/33/02/327793302.db2.gz FQZZRJJJGDMJQD-SVTZGKHISA-N 0 0 285.309 3.633 10 0 CHAERN CCCC[C@H](CC)CNC(=O)c1ccc2c(c1)CCN2 ZINC000040806431 328019360 /nfs/dbraw/zinc/01/93/60/328019360.db2.gz JWHNENDLGACLQE-ZDUSSCGKSA-N 0 0 274.408 3.601 10 0 CHAERN CC(C)(C)OC(=O)N=c1[nH]cc(-c2ccccc2)o1 ZINC000299889433 328298959 /nfs/dbraw/zinc/29/89/59/328298959.db2.gz JJECLWIJMXGCEQ-UHFFFAOYSA-N 0 0 260.293 3.689 10 0 CHAERN C[C@H](NC(=O)c1cncc(F)c1)c1ccc2ccccc2c1 ZINC000164396618 328302653 /nfs/dbraw/zinc/30/26/53/328302653.db2.gz LZOXRUKWDXXDLW-LBPRGKRZSA-N 0 0 294.329 3.865 10 0 CHAERN CCCC(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000110513143 328305113 /nfs/dbraw/zinc/30/51/13/328305113.db2.gz STKKPNLZAOMACE-CQSZACIVSA-N 0 0 295.810 3.819 10 0 CHAERN COc1ccc(-c2nc([C@@H]3CCC[C@H](C)C3)no2)c(O)c1 ZINC000111689054 328375013 /nfs/dbraw/zinc/37/50/13/328375013.db2.gz OIFOEPXLPSLNHF-WDEREUQCSA-N 0 0 288.347 3.745 10 0 CHAERN COc1ccc(-c2nc(C3CCC(C)CC3)no2)c(O)c1 ZINC000111689598 328375039 /nfs/dbraw/zinc/37/50/39/328375039.db2.gz XOABPOGQEDBELR-UHFFFAOYSA-N 0 0 288.347 3.745 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000230472023 328514203 /nfs/dbraw/zinc/51/42/03/328514203.db2.gz MQEBKAYVMMAFIA-WDEREUQCSA-N 0 0 261.394 3.649 10 0 CHAERN CCCN(CC1CC1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081730 326824065 /nfs/dbraw/zinc/82/40/65/326824065.db2.gz HIFZISOSGTVKSO-ZIAGYGMSSA-N 0 0 293.357 3.717 10 0 CHAERN Cc1ccc(C)c(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000053961502 326992926 /nfs/dbraw/zinc/99/29/26/326992926.db2.gz PXKXGKGYZHAOPW-HNNXBMFYSA-N 0 0 296.370 3.949 10 0 CHAERN CCCC[C@H](CC)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000093470363 327122009 /nfs/dbraw/zinc/12/20/09/327122009.db2.gz LTNJXCVKKZQUKK-NXOAAHMSSA-N 0 0 295.467 3.745 10 0 CHAERN Cc1c(CNc2cc(Cl)cc3cccnc32)cnn1C ZINC000093649417 327132758 /nfs/dbraw/zinc/13/27/58/327132758.db2.gz VMUNOGIJOPZOFI-UHFFFAOYSA-N 0 0 286.766 3.542 10 0 CHAERN COc1cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1Cl ZINC000278792660 327196056 /nfs/dbraw/zinc/19/60/56/327196056.db2.gz MJYVMANAAZWGRK-LERXQTSPSA-N 0 0 281.783 3.574 10 0 CHAERN Brc1oc2ccccc2c1Br ZINC000095496273 327202665 /nfs/dbraw/zinc/20/26/65/327202665.db2.gz JPYBOGFQEPDJRZ-UHFFFAOYSA-N 0 0 275.927 3.958 10 0 CHAERN Cc1ccc([C@H](C)Nc2cnc3ccccc3n2)o1 ZINC000041872912 327232309 /nfs/dbraw/zinc/23/23/09/327232309.db2.gz NISMGZLVTSIPNZ-NSHDSACASA-N 0 0 253.305 3.704 10 0 CHAERN CC(C)CCOc1cccc(NC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000150878515 327394310 /nfs/dbraw/zinc/39/43/10/327394310.db2.gz RPDFCWOBWBMWHW-BBRMVZONSA-N 0 0 291.391 3.618 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000151216037 327458631 /nfs/dbraw/zinc/45/86/31/327458631.db2.gz KZQWLMTUTBFVIM-FZMZJTMJSA-N 0 0 273.401 3.749 10 0 CHAERN CCn1ccnc1CNc1cccc(Cl)c1Cl ZINC000051921368 328636391 /nfs/dbraw/zinc/63/63/91/328636391.db2.gz NGPTZIAIXOLRIH-UHFFFAOYSA-N 0 0 270.163 3.822 10 0 CHAERN COC[C@@H](C)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000114344363 328644308 /nfs/dbraw/zinc/64/43/08/328644308.db2.gz IKGGRFGMEQOPFW-CYBMUJFWSA-N 0 0 284.359 3.651 10 0 CHAERN CCC(CC)Cc1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC000521400530 328673420 /nfs/dbraw/zinc/67/34/20/328673420.db2.gz LGNDCXDIELAOST-UHFFFAOYSA-N 0 0 261.365 3.775 10 0 CHAERN C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116413904 328696097 /nfs/dbraw/zinc/69/60/97/328696097.db2.gz YYGXKIBAHAAZEY-MGPQQGTHSA-N 0 0 276.380 3.705 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)N(C)CC(F)F)cc1 ZINC000103595613 328770489 /nfs/dbraw/zinc/77/04/89/328770489.db2.gz ULMFPUGFJMKIBM-GFCCVEGCSA-N 0 0 298.377 3.853 10 0 CHAERN Cc1ccncc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000104451561 328787344 /nfs/dbraw/zinc/78/73/44/328787344.db2.gz ONMHMNASJZEPGN-UHFFFAOYSA-N 0 0 298.386 3.705 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567196 328804931 /nfs/dbraw/zinc/80/49/31/328804931.db2.gz PEUGUMAPZKDTHP-MRVPVSSYSA-N 0 0 277.261 3.619 10 0 CHAERN C[C@@H](NC(=O)Nc1ccncn1)c1ccc2ccccc2c1 ZINC000194060414 329065472 /nfs/dbraw/zinc/06/54/72/329065472.db2.gz IZIDCMGLPAGCNK-GFCCVEGCSA-N 0 0 292.342 3.513 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC(OC2CCCC2)CC1 ZINC000171420054 329075645 /nfs/dbraw/zinc/07/56/45/329075645.db2.gz UBLQDMNYLLHYBT-AWEZNQCLSA-N 0 0 281.440 3.619 10 0 CHAERN CC(C)c1nccc(N[C@H]2CCOc3ccccc32)n1 ZINC000171811573 329080326 /nfs/dbraw/zinc/08/03/26/329080326.db2.gz MUERVVAINNONOY-ZDUSSCGKSA-N 0 0 269.348 3.536 10 0 CHAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc2ccccc2c1 ZINC000172088237 329081040 /nfs/dbraw/zinc/08/10/40/329081040.db2.gz MUNLZWRNXUGUDB-XKDXWZMYSA-N 0 0 295.382 3.585 10 0 CHAERN C[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1cccs1 ZINC000172346271 329083950 /nfs/dbraw/zinc/08/39/50/329083950.db2.gz QAXMEEYBVXCBHE-JTQLQIEISA-N 0 0 299.355 3.540 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@H](C)C(C)C)no1 ZINC000173439432 329146889 /nfs/dbraw/zinc/14/68/89/329146889.db2.gz CLWZELFMLACVKF-STQMWFEESA-N 0 0 293.411 3.539 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)n1 ZINC000173414046 329147002 /nfs/dbraw/zinc/14/70/02/329147002.db2.gz QHABRASYJMGJSF-UONOGXRCSA-N 0 0 290.432 3.514 10 0 CHAERN CCc1cnc(NC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000173473766 329147225 /nfs/dbraw/zinc/14/72/25/329147225.db2.gz CLVPTGPAHVTFKP-NSHDSACASA-N 0 0 291.376 3.668 10 0 CHAERN CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000173759520 329148122 /nfs/dbraw/zinc/14/81/22/329148122.db2.gz SHCAFHXYVPIDBV-INIZCTEOSA-N 0 0 270.376 3.683 10 0 CHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173520166 329148516 /nfs/dbraw/zinc/14/85/16/329148516.db2.gz UPEMJDYSVWCYSB-GDBMZVCRSA-N 0 0 291.439 3.690 10 0 CHAERN CCCCC[C@H](C)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173631431 329150262 /nfs/dbraw/zinc/15/02/62/329150262.db2.gz LLEOKWNEJSZVRG-AWEZNQCLSA-N 0 0 291.439 3.722 10 0 CHAERN CCc1c(Cl)nc(C)nc1N[C@H](C)c1cccc(O)c1 ZINC000174719303 329161015 /nfs/dbraw/zinc/16/10/15/329161015.db2.gz AOBBGTLTXRJPCJ-SECBINFHSA-N 0 0 291.782 3.880 10 0 CHAERN C[C@@H]1CC[C@@H](CCC(=O)N2CC=C(c3ccccc3)CC2)O1 ZINC000174975243 329162004 /nfs/dbraw/zinc/16/20/04/329162004.db2.gz KSJJCSUVKROACS-QAPCUYQASA-N 0 0 299.414 3.650 10 0 CHAERN Clc1ncc(CN2CCCC[C@H]2c2nccs2)s1 ZINC000175419640 329165610 /nfs/dbraw/zinc/16/56/10/329165610.db2.gz OSYKHAVBXNZHCG-JTQLQIEISA-N 0 0 299.852 3.980 10 0 CHAERN CO[C@H](C)c1nc(CN2CCC[C@@H]2c2ccco2)cs1 ZINC000175238701 329166872 /nfs/dbraw/zinc/16/68/72/329166872.db2.gz YTRATNFJZMDEAF-DGCLKSJQSA-N 0 0 292.404 3.781 10 0 CHAERN O=C(CCC1CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000175878809 329170616 /nfs/dbraw/zinc/17/06/16/329170616.db2.gz GTOSPSWBCSQMAT-NWDGAFQWSA-N 0 0 277.330 3.804 10 0 CHAERN Cc1nnc([C@H](N[C@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547620 329198279 /nfs/dbraw/zinc/19/82/79/329198279.db2.gz MSAWIQXIHDMXHC-IAQYHMDHSA-N 0 0 298.415 3.615 10 0 CHAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1nccs1 ZINC000179422951 329208058 /nfs/dbraw/zinc/20/80/58/329208058.db2.gz WGSINSYBUDGCSD-BBRMVZONSA-N 0 0 295.411 3.978 10 0 CHAERN Cc1cccc(N(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000180602490 329221041 /nfs/dbraw/zinc/22/10/41/329221041.db2.gz LPGJDPPJNBNPCP-TZMCWYRMSA-N 0 0 274.408 3.815 10 0 CHAERN CCCCC[C@H](CC)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000180939577 329224156 /nfs/dbraw/zinc/22/41/56/329224156.db2.gz DASBRMGZXJRPSX-AWEZNQCLSA-N 0 0 291.439 3.722 10 0 CHAERN CC(=O)c1ccc(N2CC=C(c3cccs3)CC2)nc1 ZINC000181147690 329232935 /nfs/dbraw/zinc/23/29/35/329232935.db2.gz QBYPOKSFNWGWLK-UHFFFAOYSA-N 0 0 284.384 3.639 10 0 CHAERN CC(C)OCCCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000182335421 329241744 /nfs/dbraw/zinc/24/17/44/329241744.db2.gz FBYNBFVEPZBKGY-JKSUJKDBSA-N 0 0 281.440 3.524 10 0 CHAERN C[C@@H](N[C@H](C)c1ccncc1)c1nc(-c2ccccc2)no1 ZINC000182863121 329245620 /nfs/dbraw/zinc/24/56/20/329245620.db2.gz MWUCBZPHUZNMCO-CHWSQXEVSA-N 0 0 294.358 3.543 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccncc2)n1 ZINC000183442098 329247773 /nfs/dbraw/zinc/24/77/73/329247773.db2.gz KLLYAXXFDIGEIL-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN CC[C@@H](C)[C@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000183713263 329249781 /nfs/dbraw/zinc/24/97/81/329249781.db2.gz LHXGBWNVVNUGPW-CABCVRRESA-N 0 0 288.435 3.545 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccncc2F)cc1F ZINC000184161330 329256916 /nfs/dbraw/zinc/25/69/16/329256916.db2.gz HBXQJJIITRCHNO-JTQLQIEISA-N 0 0 291.301 3.551 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccncc1F)[C@@H](C)C2 ZINC000184241612 329258213 /nfs/dbraw/zinc/25/82/13/329258213.db2.gz KTPNBCDZKDKBQB-ZBEGNZNMSA-N 0 0 299.349 3.584 10 0 CHAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000184814631 329262944 /nfs/dbraw/zinc/26/29/44/329262944.db2.gz ORBMENWBTBVAJR-SJORKVTESA-N 0 0 269.388 3.594 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)CC(C)C)C2)n1 ZINC000184828420 329263257 /nfs/dbraw/zinc/26/32/57/329263257.db2.gz DGZMFBGVXMYNIB-GXTWGEPZSA-N 0 0 294.464 3.840 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2ncc(Cl)cc2F)C1 ZINC000227079716 329268352 /nfs/dbraw/zinc/26/83/52/329268352.db2.gz PZMBRUXQENSSAU-NXEZZACHSA-N 0 0 274.792 3.960 10 0 CHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccco1 ZINC000186049932 329336779 /nfs/dbraw/zinc/33/67/79/329336779.db2.gz QVQQYDZWAFPYPM-CYBMUJFWSA-N 0 0 279.343 3.587 10 0 CHAERN Cc1ccc(NCc2cc[nH]c2)cc1Br ZINC000085579904 329338507 /nfs/dbraw/zinc/33/85/07/329338507.db2.gz CPZPLFOIMTYUSD-UHFFFAOYSA-N 0 0 265.154 3.698 10 0 CHAERN CN1Cc2cc(N[C@H]3CCCC3(C)C)ccc2NC1=O ZINC000186534185 329344809 /nfs/dbraw/zinc/34/48/09/329344809.db2.gz VCHVICVZVZQHOB-AWEZNQCLSA-N 0 0 273.380 3.655 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186546551 329345161 /nfs/dbraw/zinc/34/51/61/329345161.db2.gz MGPATLGMZKHXCR-YPMHNXCESA-N 0 0 273.380 3.655 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C(C)(C)C ZINC000186542560 329345215 /nfs/dbraw/zinc/34/52/15/329345215.db2.gz JNPBFTUOUTZNFM-JTQLQIEISA-N 0 0 261.369 3.510 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1F ZINC000186553037 329345513 /nfs/dbraw/zinc/34/55/13/329345513.db2.gz RGDRCGKXLKOLTB-NSHDSACASA-N 0 0 299.349 3.976 10 0 CHAERN Cc1ccc(CN[C@H]2CCOc3c(C)cccc32)o1 ZINC000188950060 329375949 /nfs/dbraw/zinc/37/59/49/329375949.db2.gz YEUYASKFABQIHS-HNNXBMFYSA-N 0 0 257.333 3.510 10 0 CHAERN Cc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)co1 ZINC000189152847 329376445 /nfs/dbraw/zinc/37/64/45/329376445.db2.gz LSXZIYLFLPJATK-UHFFFAOYSA-N 0 0 285.318 3.657 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CC2(C)C)n1 ZINC000190379854 329395753 /nfs/dbraw/zinc/39/57/53/329395753.db2.gz WCPDQIWFILFVHY-AXFHLTTASA-N 0 0 264.369 3.502 10 0 CHAERN CCCCCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190613397 329399834 /nfs/dbraw/zinc/39/98/34/329399834.db2.gz ROIFDMLEMFAASF-AWEZNQCLSA-N 0 0 261.365 3.515 10 0 CHAERN C[C@H]1CN(C(=O)c2ccc(C3CCC3)cc2)CCS1 ZINC000191256942 329411521 /nfs/dbraw/zinc/41/15/21/329411521.db2.gz DYMRJVAXEUPRRD-LBPRGKRZSA-N 0 0 275.417 3.532 10 0 CHAERN CC(C)=CCNc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000192332188 329431450 /nfs/dbraw/zinc/43/14/50/329431450.db2.gz BHYQRODBNSNKMG-UHFFFAOYSA-N 0 0 282.391 3.660 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1F ZINC000116042058 329544343 /nfs/dbraw/zinc/54/43/43/329544343.db2.gz SEELNZBLSHTSCI-AWEZNQCLSA-N 0 0 273.307 3.704 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)C(C)(C)C ZINC000116551109 329545222 /nfs/dbraw/zinc/54/52/22/329545222.db2.gz XHUVGVBZNPNUDK-NEPJUHHUSA-N 0 0 264.369 3.561 10 0 CHAERN Cc1cc(CN[C@H](C)c2cccc(Br)c2)no1 ZINC000044692247 329593088 /nfs/dbraw/zinc/59/30/88/329593088.db2.gz RBNNHUPREAFKJW-SNVBAGLBSA-N 0 0 295.180 3.596 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccoc2C)o1 ZINC000127435010 329599860 /nfs/dbraw/zinc/59/98/60/329599860.db2.gz SJPAGDQUXCZSQJ-CQSZACIVSA-N 0 0 273.332 3.857 10 0 CHAERN C[C@@H]1CC[C@H](c2nc(Cc3ccccc3Cl)no2)O1 ZINC000129180938 329615531 /nfs/dbraw/zinc/61/55/31/329615531.db2.gz NFIBCEJYKQHZEO-BXKDBHETSA-N 0 0 278.739 3.554 10 0 CHAERN Cc1cc([C@H](C)NC(=O)N[C@@H](C)C(C)C)c(C)s1 ZINC000047685400 329620202 /nfs/dbraw/zinc/62/02/02/329620202.db2.gz BFMIKRSPJXWMTI-QWRGUYRKSA-N 0 0 268.426 3.770 10 0 CHAERN CC(C)c1ncc(C(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000133702136 329654851 /nfs/dbraw/zinc/65/48/51/329654851.db2.gz KIVYYTNISQBNMH-LLVKDONJSA-N 0 0 290.388 3.837 10 0 CHAERN Cc1ccccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000053961510 329668456 /nfs/dbraw/zinc/66/84/56/329668456.db2.gz RTRGYPHAVXCXKN-HNNXBMFYSA-N 0 0 282.343 3.640 10 0 CHAERN CCn1c(C)nnc1CSc1cc(C)c2ccccc2n1 ZINC000194663003 329687825 /nfs/dbraw/zinc/68/78/25/329687825.db2.gz QDQQIFYMXBICNH-UHFFFAOYSA-N 0 0 298.415 3.755 10 0 CHAERN C[C@@H](CNc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000194719190 329688664 /nfs/dbraw/zinc/68/86/64/329688664.db2.gz RSFVNOCJJVIIQQ-ZDUSSCGKSA-N 0 0 295.386 3.880 10 0 CHAERN c1csc([C@H]2CCCCN2Cc2cn3ccccc3n2)n1 ZINC000195440161 329692022 /nfs/dbraw/zinc/69/20/22/329692022.db2.gz DEYLCYHTQNQRCP-CQSZACIVSA-N 0 0 298.415 3.518 10 0 CHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nccs1 ZINC000245470720 329699602 /nfs/dbraw/zinc/69/96/02/329699602.db2.gz WSENETCLWCFEOM-RQJABVFESA-N 0 0 290.432 3.633 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048377 329850366 /nfs/dbraw/zinc/85/03/66/329850366.db2.gz AHVWMNZTCRHSGD-CHWSQXEVSA-N 0 0 280.437 3.675 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccco2)o1 ZINC000069103509 329853910 /nfs/dbraw/zinc/85/39/10/329853910.db2.gz QIDSTTFGCJAIBR-NEPJUHHUSA-N 0 0 276.336 3.645 10 0 CHAERN O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909278 329865636 /nfs/dbraw/zinc/86/56/36/329865636.db2.gz LHDPFUKZVVXZDL-LBPRGKRZSA-N 0 0 292.791 3.774 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)o1 ZINC000246641271 329868595 /nfs/dbraw/zinc/86/85/95/329868595.db2.gz CFRVDAZWVQNLIH-AXHNFQJDSA-N 0 0 295.382 3.669 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@]23CCc2ccccc23)o1 ZINC000246641289 329868623 /nfs/dbraw/zinc/86/86/23/329868623.db2.gz CFRVDAZWVQNLIH-CRFBAAHOSA-N 0 0 295.382 3.669 10 0 CHAERN C[C@@H]1c2cccn2CCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247210811 329877507 /nfs/dbraw/zinc/87/75/07/329877507.db2.gz CGTRYNGTOYZITP-VNQPRFMTSA-N 0 0 286.419 3.608 10 0 CHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)O[C@H]1CCc2cccnc21 ZINC000248873510 329901311 /nfs/dbraw/zinc/90/13/11/329901311.db2.gz BSGDYEOPUXURCO-MCIONIFRSA-N 0 0 299.395 3.786 10 0 CHAERN C[C@H](NC(=O)c1ccncc1F)c1ccc(F)c(Cl)c1 ZINC000078095450 329943171 /nfs/dbraw/zinc/94/31/71/329943171.db2.gz TWWBCOHDTCKBNV-QMMMGPOBSA-N 0 0 296.704 3.504 10 0 CHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CCCC3)C2)cc1 ZINC000078187614 329947200 /nfs/dbraw/zinc/94/72/00/329947200.db2.gz JSLADQSPYMNHMS-CJNGLKHVSA-N 0 0 287.403 3.590 10 0 CHAERN Cc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1O ZINC000078231799 329947523 /nfs/dbraw/zinc/94/75/23/329947523.db2.gz CKCKVMWQNDMLKU-UHFFFAOYSA-N 0 0 293.366 3.630 10 0 CHAERN Cc1cccc([C@H](NC(=O)C[C@H](O)C(C)C)C(C)(C)C)c1 ZINC000161993662 329964276 /nfs/dbraw/zinc/96/42/76/329964276.db2.gz CPOUDXVPIQHQTR-RDJZCZTQSA-N 0 0 291.435 3.605 10 0 CHAERN CCC(CC)(C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C)C(=O)[O-] ZINC000263058614 330041292 /nfs/dbraw/zinc/04/12/92/330041292.db2.gz MDHBVJGLNPISBM-CJNGLKHVSA-N 0 0 289.419 3.709 10 0 CHAERN CCCC[C@@H]([NH2+][C@H](C)c1ccc(SC)c(F)c1)C(=O)[O-] ZINC000263451560 330056559 /nfs/dbraw/zinc/05/65/59/330056559.db2.gz ZUPQNTQCGJIHQI-ZWNOBZJWSA-N 0 0 299.411 3.842 10 0 CHAERN C[C@@H](NC(=O)CC1CCC1)c1ccc(F)c(Cl)c1 ZINC000079727079 330056774 /nfs/dbraw/zinc/05/67/74/330056774.db2.gz CSJIMFHLSGEOMO-SECBINFHSA-N 0 0 269.747 3.847 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)C2CCCC2)c2ccccc21 ZINC000162729180 330110636 /nfs/dbraw/zinc/11/06/36/330110636.db2.gz ONYCOOKOJPUQKT-WBMJQRKESA-N 0 0 257.377 3.931 10 0 CHAERN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000080728523 330148185 /nfs/dbraw/zinc/14/81/85/330148185.db2.gz WIVXJFSBYWKPBA-GDZNZVCISA-N 0 0 295.386 3.517 10 0 CHAERN C[C@@H](NC(=O)NCCC1CCCC1)c1cccs1 ZINC000045566375 330344383 /nfs/dbraw/zinc/34/43/83/330344383.db2.gz DCIVXRLNNHNIIQ-LLVKDONJSA-N 0 0 266.410 3.689 10 0 CHAERN Cc1ccc(/C=C/CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000084750675 330362788 /nfs/dbraw/zinc/36/27/88/330362788.db2.gz VKWSKQTZTAANCM-UBZMYNMCSA-N 0 0 299.414 3.568 10 0 CHAERN C[C@H](NC(=O)Cc1ccsc1)c1ccc(F)c(Cl)c1 ZINC000055743308 330366102 /nfs/dbraw/zinc/36/61/02/330366102.db2.gz RRHYQBJFCLLXBY-VIFPVBQESA-N 0 0 297.782 3.961 10 0 CHAERN CCCN(CC1CC1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000056857179 330368822 /nfs/dbraw/zinc/36/88/22/330368822.db2.gz VWEQEVYANJGCAL-MRXNPFEDSA-N 0 0 290.382 3.645 10 0 CHAERN C[C@H](NC(=O)N1[C@H](C)CC[C@@H]1C)c1cccc(Cl)c1 ZINC000119127425 330371087 /nfs/dbraw/zinc/37/10/87/330371087.db2.gz DTVGOYJVPQWIHT-TUAOUCFPSA-N 0 0 280.799 3.983 10 0 CHAERN CCCCO[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000119430737 330374959 /nfs/dbraw/zinc/37/49/59/330374959.db2.gz GAYKEBARKGLPQK-QWHCGFSZSA-N 0 0 281.371 3.517 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000119514680 330375274 /nfs/dbraw/zinc/37/52/74/330375274.db2.gz UTKFOMFRAUNOOF-VIFPVBQESA-N 0 0 292.379 3.698 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Cc2ccsc2)cc1F ZINC000119479722 330375744 /nfs/dbraw/zinc/37/57/44/330375744.db2.gz IWCNGIZHXBNXHV-NSHDSACASA-N 0 0 277.364 3.616 10 0 CHAERN Cc1ccc(Cl)c(N2CCC[C@@H](C(=O)C(C)C)C2=O)c1 ZINC000536951321 330382397 /nfs/dbraw/zinc/38/23/97/330382397.db2.gz SGGXWBCECRIVBJ-LBPRGKRZSA-N 0 0 293.794 3.617 10 0 CHAERN COc1ccc2c(c1)OC1(CCC(F)(F)CC1)CC2=O ZINC000536952832 330382617 /nfs/dbraw/zinc/38/26/17/330382617.db2.gz FVMAHZLDKAJYJS-UHFFFAOYSA-N 0 0 282.286 3.609 10 0 CHAERN CC1CCC2(C[C@@H](N(C)C(=O)OC(C)(C)C)CO2)CC1 ZINC000536954296 330382892 /nfs/dbraw/zinc/38/28/92/330382892.db2.gz KKIGDARVCNWSQH-MFOWVQHXSA-N 0 0 283.412 3.591 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000121031892 330395197 /nfs/dbraw/zinc/39/51/97/330395197.db2.gz LWPBBECHFAUTTG-QWRGUYRKSA-N 0 0 294.361 3.985 10 0 CHAERN CCn1c(C)nnc1CS[C@@H](C)CCc1ccccc1 ZINC000091028974 330397922 /nfs/dbraw/zinc/39/79/22/330397922.db2.gz BCWOBFXUXGAJAY-ZDUSSCGKSA-N 0 0 289.448 3.861 10 0 CHAERN CCCn1ccc(CN[C@@H](C)c2nc(C)cs2)c1 ZINC000091015885 330397935 /nfs/dbraw/zinc/39/79/35/330397935.db2.gz NHFRLVAWGKKNIU-LBPRGKRZSA-N 0 0 263.410 3.514 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1F ZINC000087026018 330468095 /nfs/dbraw/zinc/46/80/95/330468095.db2.gz URYVCMFGKKJONH-NWDGAFQWSA-N 0 0 266.360 3.539 10 0 CHAERN Cc1ccncc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129957 330489109 /nfs/dbraw/zinc/48/91/09/330489109.db2.gz MHZWTUYTGOHYPL-WDEREUQCSA-N 0 0 258.287 3.923 10 0 CHAERN CC(C)(C)[C@@H](O)CSc1ccccc1Br ZINC000085218826 330489449 /nfs/dbraw/zinc/48/94/49/330489449.db2.gz GKXNKMDXJDWBAM-NSHDSACASA-N 0 0 289.238 3.948 10 0 CHAERN CC(C)(C)[C@@H](O)CSc1cccc(Br)c1 ZINC000085219485 330489551 /nfs/dbraw/zinc/48/95/51/330489551.db2.gz FHSXJOGIUGXYNX-NSHDSACASA-N 0 0 289.238 3.948 10 0 CHAERN COC(=O)c1nc(N[C@@H](C)c2ccccc2C)sc1C ZINC000164645225 331271956 /nfs/dbraw/zinc/27/19/56/331271956.db2.gz CTDJPAASOHZUFX-JTQLQIEISA-N 0 0 290.388 3.720 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1C ZINC000172816018 332948199 /nfs/dbraw/zinc/94/81/99/332948199.db2.gz GCZPUZDTJVAWFN-LSDHHAIUSA-N 0 0 289.423 3.675 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)/C=C\c2ccc[nH]2)o1 ZINC000491957778 332377285 /nfs/dbraw/zinc/37/72/85/332377285.db2.gz CIUTUBSHSNFKGU-WWRUEGTHSA-N 0 0 284.359 3.683 10 0 CHAERN CC(C)(C)[C@@H](O)CSCc1ccccc1Cl ZINC000304233474 332968468 /nfs/dbraw/zinc/96/84/68/332968468.db2.gz LMUKMJWEPKVLSZ-LBPRGKRZSA-N 0 0 258.814 3.980 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000175015696 333013083 /nfs/dbraw/zinc/01/30/83/333013083.db2.gz YREQYEKEJOUBAF-LBPRGKRZSA-N 0 0 270.376 3.938 10 0 CHAERN CCC1(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000175913237 333037561 /nfs/dbraw/zinc/03/75/61/333037561.db2.gz KOVVUVYTSKHRPJ-MNOVXSKESA-N 0 0 292.345 3.739 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1c(C)cccc1Br ZINC000310523324 333059355 /nfs/dbraw/zinc/05/93/55/333059355.db2.gz XILNZLUHYNFCFD-JQWIXIFHSA-N 0 0 296.208 3.676 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1F ZINC000088234158 333087217 /nfs/dbraw/zinc/08/72/17/333087217.db2.gz VVAGGSROMYWRCL-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN Cc1ccoc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233936 333087375 /nfs/dbraw/zinc/08/73/75/333087375.db2.gz LKYKWZXDZGENEA-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235792 333087566 /nfs/dbraw/zinc/08/75/66/333087566.db2.gz IMVMLNUMSJYYIB-RYUDHWBXSA-N 0 0 251.345 3.748 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCCc2ccccc2O)CC(C)(C)C1 ZINC000183310696 333120150 /nfs/dbraw/zinc/12/01/50/333120150.db2.gz VTYYULUFPCSZOJ-HIFRSBDPSA-N 0 0 289.419 3.513 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000183607779 333121287 /nfs/dbraw/zinc/12/12/87/333121287.db2.gz BJJGHPMMIDDWLY-UKRRQHHQSA-N 0 0 289.419 3.622 10 0 CHAERN CC(C)[C@@H](C)NC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000185538540 333143153 /nfs/dbraw/zinc/14/31/53/333143153.db2.gz JFJQFKDPDDEGJR-CYBMUJFWSA-N 0 0 277.383 3.699 10 0 CHAERN CCC1(C(=O)N[C@@H]2COc3ccccc32)CCCCC1 ZINC000185810031 333149460 /nfs/dbraw/zinc/14/94/60/333149460.db2.gz HPQWHEDVWVTUTJ-CQSZACIVSA-N 0 0 273.376 3.597 10 0 CHAERN C[C@@H](N[C@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410881 333170557 /nfs/dbraw/zinc/17/05/57/333170557.db2.gz LQXSHPOKIDVROE-IAQYHMDHSA-N 0 0 293.769 3.863 10 0 CHAERN CC[C@@H](C)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000190605521 333209098 /nfs/dbraw/zinc/20/90/98/333209098.db2.gz FVWAJTHHPQWAIN-MNOVXSKESA-N 0 0 253.773 3.953 10 0 CHAERN CC(=O)CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000192620962 333237163 /nfs/dbraw/zinc/23/71/63/333237163.db2.gz DNMZGFKXDYLONR-OAHLLOKOSA-N 0 0 295.382 3.900 10 0 CHAERN Cc1c(N[C@@H]2CCOC[C@@H]2C)cccc1C(F)(F)F ZINC000195078121 333245033 /nfs/dbraw/zinc/24/50/33/333245033.db2.gz OTKSZPLEVKXBJG-JOYOIKCWSA-N 0 0 273.298 3.851 10 0 CHAERN CSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000194100951 333265420 /nfs/dbraw/zinc/26/54/20/333265420.db2.gz CDFOBVPTTAOSED-NSHDSACASA-N 0 0 275.373 3.801 10 0 CHAERN Clc1ccsc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000194345790 333269638 /nfs/dbraw/zinc/26/96/38/333269638.db2.gz MJQXXEYYSFGSJN-RYUDHWBXSA-N 0 0 271.813 3.545 10 0 CHAERN O=C(N[C@H]1COc2ccccc21)c1ccc2ccccc2c1 ZINC000194854588 333278198 /nfs/dbraw/zinc/27/81/98/333278198.db2.gz HBJZAAMNEIKRGJ-KRWDZBQOSA-N 0 0 289.334 3.703 10 0 CHAERN O=C(N[C@@H]1COc2ccccc21)c1csc2ccccc12 ZINC000194870625 333278400 /nfs/dbraw/zinc/27/84/00/333278400.db2.gz WEQVFBWREVEVMY-CQSZACIVSA-N 0 0 295.363 3.765 10 0 CHAERN Cc1cnc([C@@H](C)NCc2c(C)oc3ccccc32)o1 ZINC000231531050 333325765 /nfs/dbraw/zinc/32/57/65/333325765.db2.gz WYCDXLDZEZXSJT-LLVKDONJSA-N 0 0 270.332 3.888 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(C)CCC2)cc1 ZINC000125340198 333565986 /nfs/dbraw/zinc/56/59/86/333565986.db2.gz OYVUTIQFJNLCSF-HZPDHXFCSA-N 0 0 271.404 3.972 10 0 CHAERN CCC(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000125601115 333568382 /nfs/dbraw/zinc/56/83/82/333568382.db2.gz AJMZBVRWGZUKEG-CYBMUJFWSA-N 0 0 263.381 3.699 10 0 CHAERN COCc1ccccc1N[C@H](C)Cc1ccc(O)cc1 ZINC000126613980 333600900 /nfs/dbraw/zinc/60/09/00/333600900.db2.gz RMQWEXSRWBUICO-CYBMUJFWSA-N 0 0 271.360 3.582 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000128329436 333659771 /nfs/dbraw/zinc/65/97/71/333659771.db2.gz SLXJXCRWKWKYJL-RYUDHWBXSA-N 0 0 267.800 3.679 10 0 CHAERN CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128718249 333702791 /nfs/dbraw/zinc/70/27/91/333702791.db2.gz MSQXFELELMOESF-ZDUSSCGKSA-N 0 0 287.325 3.712 10 0 CHAERN Cc1ccccc1NCCc1nc(CC(C)(C)C)no1 ZINC000068847713 333735372 /nfs/dbraw/zinc/73/53/72/333735372.db2.gz LLQMZKHZFXCZSH-UHFFFAOYSA-N 0 0 273.380 3.621 10 0 CHAERN CCc1ccc(-c2noc([C@@H]3CC[C@H](C)O3)n2)cc1 ZINC000129404875 333762016 /nfs/dbraw/zinc/76/20/16/333762016.db2.gz XRMSYWLIVIBDDG-GWCFXTLKSA-N 0 0 258.321 3.539 10 0 CHAERN CCc1ccc([C@@H](C)N[C@H](C(=O)OC)c2ccccc2)cc1 ZINC000072588648 333944767 /nfs/dbraw/zinc/94/47/67/333944767.db2.gz BGEPBUBTHKNLSG-KDOFPFPSSA-N 0 0 297.398 3.814 10 0 CHAERN CC(=O)c1csc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000131870828 333968001 /nfs/dbraw/zinc/96/80/01/333968001.db2.gz IUMAKJMGYRALTJ-NEPJUHHUSA-N 0 0 292.404 3.501 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)NCc2ccco2)c2ccccc21 ZINC000132827775 334006774 /nfs/dbraw/zinc/00/67/74/334006774.db2.gz KMVYUVWHRYVRJF-BLLLJJGKSA-N 0 0 284.359 3.717 10 0 CHAERN CCC1CCC(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000135120032 334116552 /nfs/dbraw/zinc/11/65/52/334116552.db2.gz MBJAMYRMHKVQID-VCANKDNSSA-N 0 0 291.439 3.605 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000078005471 334120359 /nfs/dbraw/zinc/12/03/59/334120359.db2.gz KCBQISJUAUZDRN-UKRRQHHQSA-N 0 0 272.392 3.586 10 0 CHAERN Cc1c(NC(=O)N[C@H]2C[C@H]2C)cccc1C(F)(F)F ZINC000135243048 334121429 /nfs/dbraw/zinc/12/14/29/334121429.db2.gz NMUZPCXVIJRVDV-HQJQHLMTSA-N 0 0 272.270 3.544 10 0 CHAERN CC[C@H]1CC[C@H](Nc2cccc(N3CCCC3=O)c2)C1 ZINC000080428405 334171304 /nfs/dbraw/zinc/17/13/04/334171304.db2.gz IDZKFGPQEYVRMY-ZFWWWQNUSA-N 0 0 272.392 3.804 10 0 CHAERN CSC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246965366 334272975 /nfs/dbraw/zinc/27/29/75/334272975.db2.gz NGMJYKWMXWUFSZ-KKUMJFAQSA-N 0 0 281.465 3.557 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)C[C@H]2CCCCO2)c2ccccc21 ZINC000246374824 334254163 /nfs/dbraw/zinc/25/41/63/334254163.db2.gz SLWXDYXGEPONHQ-CPUCHLNUSA-N 0 0 287.403 3.700 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000246788679 334269494 /nfs/dbraw/zinc/26/94/94/334269494.db2.gz ZZGXZQAAXZASMF-LPTSXCQYSA-N 0 0 295.452 3.636 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N2CCSCC[C@H]2C)CC(C)(C)C1 ZINC000248841848 334319254 /nfs/dbraw/zinc/31/92/54/334319254.db2.gz LSYLIEKGWNUNRN-MGPQQGTHSA-N 0 0 283.481 3.803 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000250885359 334352641 /nfs/dbraw/zinc/35/26/41/334352641.db2.gz ABEBFJONKOQARV-LERXQTSPSA-N 0 0 265.784 3.874 10 0 CHAERN Cc1c(CNc2ccc3oc(C(C)C)nc3c2)cnn1C ZINC000093649921 334475538 /nfs/dbraw/zinc/47/55/38/334475538.db2.gz PHWNJUKVCMKJDE-UHFFFAOYSA-N 0 0 284.363 3.605 10 0 CHAERN COC[C@@H](C)C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000152678916 334507445 /nfs/dbraw/zinc/50/74/45/334507445.db2.gz MXIZZEGATSBZJD-GFCCVEGCSA-N 0 0 295.810 3.508 10 0 CHAERN O=C(CCc1ccoc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153155451 334563855 /nfs/dbraw/zinc/56/38/55/334563855.db2.gz VXEQYQWOSABNJK-INIZCTEOSA-N 0 0 287.334 3.545 10 0 CHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C1CC1)C1CC1 ZINC000163230583 334692633 /nfs/dbraw/zinc/69/26/33/334692633.db2.gz XYAKQOIKOJWKJJ-NEPJUHHUSA-N 0 0 289.341 3.660 10 0 CHAERN CC(C)OCCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000183193922 335874945 /nfs/dbraw/zinc/87/49/45/335874945.db2.gz CDTRULAGCPUUDC-WMLDXEAASA-N 0 0 289.419 3.946 10 0 CHAERN CCN(CC(F)F)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000185792033 335956932 /nfs/dbraw/zinc/95/69/32/335956932.db2.gz KWZRAUMGTBYXQN-GHMZBOCLSA-N 0 0 261.356 3.562 10 0 CHAERN Cc1ccc(Cl)cc1NCc1nnc(C(C)C)n1C ZINC000194984469 336041766 /nfs/dbraw/zinc/04/17/66/336041766.db2.gz DEBWXRDZWKGJOZ-UHFFFAOYSA-N 0 0 278.787 3.512 10 0 CHAERN CC(C)c1nnc(CNc2cc(Cl)ccc2Cl)n1C ZINC000194981415 336041799 /nfs/dbraw/zinc/04/17/99/336041799.db2.gz GXPTVHGOJSFXCN-UHFFFAOYSA-N 0 0 299.205 3.857 10 0 CHAERN CC(C)c1nnc(CN(C)c2cccc3ccccc32)n1C ZINC000195105946 336045690 /nfs/dbraw/zinc/04/56/90/336045690.db2.gz AQNAMXVZVSZZHE-UHFFFAOYSA-N 0 0 294.402 3.728 10 0 CHAERN CC(C)[N@H+](Cc1cccs1)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062754888 519661641 /nfs/dbraw/zinc/66/16/41/519661641.db2.gz KGNMFDHHBOECAJ-UONOGXRCSA-N 0 0 281.421 3.602 10 0 CHAERN CCCC[C@@H](C)NC(=O)Nc1ccc(C(C)=O)cc1 ZINC000050891112 521004285 /nfs/dbraw/zinc/00/42/85/521004285.db2.gz RFDDJYDWMGSJSM-LLVKDONJSA-N 0 0 262.353 3.589 10 0 CHAERN CCCN(c1nnc(Cl)c2ccccc21)C1CC1 ZINC000050529261 521697726 /nfs/dbraw/zinc/69/77/26/521697726.db2.gz VJVJNXBPROCIKO-UHFFFAOYSA-N 0 0 261.756 3.662 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2ccncc2Cl)C1 ZINC000226804404 521727909 /nfs/dbraw/zinc/72/79/09/521727909.db2.gz BZQLRIFIZZEOFL-VHSXEESVSA-N 0 0 256.802 3.821 10 0 CHAERN CC(=O)c1ccc(N(C)[C@@H](C)C2CC2)c(Br)c1 ZINC000061693712 518343987 /nfs/dbraw/zinc/34/39/87/518343987.db2.gz RDKARTRXLMJHGZ-VIFPVBQESA-N 0 0 296.208 3.886 10 0 CHAERN CC(=O)c1sc(N2CCC[C@H]3CCCC[C@@H]32)nc1C ZINC000054862432 518496364 /nfs/dbraw/zinc/49/63/64/518496364.db2.gz NJPLSQXGFSWRGD-OLZOCXBDSA-N 0 0 278.421 3.813 10 0 CHAERN CC(C)(C)c1ccc(OCc2ccc(N)nc2)cc1 ZINC000050830820 519042073 /nfs/dbraw/zinc/04/20/73/519042073.db2.gz ZJJVNPQLDXNMBP-UHFFFAOYSA-N 0 0 256.349 3.540 10 0 CHAERN CC(C)(C)c1nc2cc(N)ccc2n1Cc1ccccc1 ZINC000052852413 519104985 /nfs/dbraw/zinc/10/49/85/519104985.db2.gz LIIPISDDNICKQE-UHFFFAOYSA-N 0 0 279.387 3.964 10 0 CHAERN CC(C)(C)c1noc(N)c1-c1ccccc1Br ZINC000055334288 519136566 /nfs/dbraw/zinc/13/65/66/519136566.db2.gz BDCNLUJIJRCCSM-UHFFFAOYSA-N 0 0 295.180 3.984 10 0 CHAERN CC(C)C[C@H](CO)Nc1nc(-c2ccccc2)cs1 ZINC000301616269 519362490 /nfs/dbraw/zinc/36/24/90/519362490.db2.gz VUPHMHRVWWLYPU-CYBMUJFWSA-N 0 0 276.405 3.629 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NCc2csnn2)cc1 ZINC000036954634 519444632 /nfs/dbraw/zinc/44/46/32/519444632.db2.gz KMFXCCCCSAJOMU-GFCCVEGCSA-N 0 0 275.421 3.587 10 0 CHAERN CC(C)C/C(=C\c1cccc2cccnc12)[N+](=O)[O-] ZINC000054929797 519547532 /nfs/dbraw/zinc/54/75/32/519547532.db2.gz ORVHRKSWBAXBSR-GXDHUFHOSA-N 0 0 256.305 3.899 10 0 CHAERN CC(C)CCN(C)c1nnc(Cl)c2ccccc21 ZINC000050529708 519651419 /nfs/dbraw/zinc/65/14/19/519651419.db2.gz AEXXWMBIIRJXJD-UHFFFAOYSA-N 0 0 263.772 3.766 10 0 CHAERN CC(C)CNc1nc(-c2cc3ccccc3o2)no1 ZINC000062798069 519749707 /nfs/dbraw/zinc/74/97/07/519749707.db2.gz PVWKXDOZKGSFMG-UHFFFAOYSA-N 0 0 257.293 3.551 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccncc2)cc1 ZINC000126833409 519840302 /nfs/dbraw/zinc/84/03/02/519840302.db2.gz JGBGOCDHYHVHRO-MSOLQXFVSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)c1nn(C)c(N)c1-c1ccccc1Br ZINC000055334139 519882141 /nfs/dbraw/zinc/88/21/41/519882141.db2.gz GRLASHVQWSTSHJ-UHFFFAOYSA-N 0 0 294.196 3.555 10 0 CHAERN CC(C)c1noc(N)c1-c1ccccc1Br ZINC000055334339 519906458 /nfs/dbraw/zinc/90/64/58/519906458.db2.gz MBCJDQPWKJHACA-UHFFFAOYSA-N 0 0 281.153 3.810 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)N[C@H](C)C(C)C ZINC000053000839 520153704 /nfs/dbraw/zinc/15/37/04/520153704.db2.gz KSOWMQYWJTWRFO-CYBMUJFWSA-N 0 0 262.397 3.591 10 0 CHAERN CCCNc1ccc(Cl)c(CO[C@H](C)CC)n1 ZINC000061640487 520164024 /nfs/dbraw/zinc/16/40/24/520164024.db2.gz MNWMBJIUGOVEPM-SNVBAGLBSA-N 0 0 256.777 3.872 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2c(OC)cccc12 ZINC000050868658 520265538 /nfs/dbraw/zinc/26/55/38/520265538.db2.gz YPDYUGPFMMYFQQ-UHFFFAOYSA-N 0 0 270.254 3.694 10 0 CHAERN CCNc1cc(C(F)(F)F)nc2cc(F)cc(F)c21 ZINC000050868746 520266227 /nfs/dbraw/zinc/26/62/27/520266227.db2.gz FBFUXZJKQYMOBP-UHFFFAOYSA-N 0 0 276.208 3.964 10 0 CHAERN CCNc1ccc(COc2ccc(Cl)cc2)cn1 ZINC000050830907 520303222 /nfs/dbraw/zinc/30/32/22/520303222.db2.gz WDMFGDXFNUPKHP-UHFFFAOYSA-N 0 0 262.740 3.746 10 0 CHAERN CCNc1ncccc1COc1ccc(C)cc1C ZINC000052734398 520378020 /nfs/dbraw/zinc/37/80/20/520378020.db2.gz IFJVLXGNGMMEEH-UHFFFAOYSA-N 0 0 256.349 3.709 10 0 CHAERN CCCOc1cccc(-c2nc(CC)sc2N)c1 ZINC000052921519 520438605 /nfs/dbraw/zinc/43/86/05/520438605.db2.gz UDLUXFBIMCIRQA-UHFFFAOYSA-N 0 0 262.378 3.744 10 0 CHAERN CCCCOC(=O)CN[C@H](CCC)c1cccs1 ZINC000049544404 520713707 /nfs/dbraw/zinc/71/37/07/520713707.db2.gz IXBPLYLEPUKZER-GFCCVEGCSA-N 0 0 269.410 3.522 10 0 CHAERN CCC[C@@H](NCc1ncc(Cl)n1C)c1cccs1 ZINC000049544728 520785744 /nfs/dbraw/zinc/78/57/44/520785744.db2.gz GYRNHXROJAVQMG-SNVBAGLBSA-N 0 0 283.828 3.766 10 0 CHAERN CCC[C@@H](Nc1nc(Cl)nc(OC)n1)c1cccs1 ZINC000061514431 520797210 /nfs/dbraw/zinc/79/72/10/520797210.db2.gz GMLBSZCAABUURO-MRVPVSSYSA-N 0 0 298.799 3.548 10 0 CHAERN Cc1nscc1-c1nc(C(C)(C)C2CCC2)no1 ZINC000333289788 534516954 /nfs/dbraw/zinc/51/69/54/534516954.db2.gz ZVYJMDOYRPPEAV-UHFFFAOYSA-N 0 0 263.366 3.579 10 0 CHAERN CCC[C@H](C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103216342 521003420 /nfs/dbraw/zinc/00/34/20/521003420.db2.gz RTEZYRKEDDHQJS-ZDUSSCGKSA-N 0 0 272.392 3.571 10 0 CHAERN CCCC[C@H](C)NC(=O)c1cccc(Br)c1 ZINC000050889670 521147315 /nfs/dbraw/zinc/14/73/15/521147315.db2.gz YKYOIKJLSCBEBH-JTQLQIEISA-N 0 0 284.197 3.758 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000084201809 521392684 /nfs/dbraw/zinc/39/26/84/521392684.db2.gz PMIKSCOQIQESKW-SJORKVTESA-N 0 0 286.419 3.647 10 0 CHAERN CCN(c1nc(C)c([C@H](C)O)s1)c1ccc(F)cc1 ZINC000054927720 521505682 /nfs/dbraw/zinc/50/56/82/521505682.db2.gz BJBDNGHBTPPTJH-JTQLQIEISA-N 0 0 280.368 3.802 10 0 CHAERN CCOc1ccccc1[C@](C)(O)c1ccc(C)cc1 ZINC000055239768 521592117 /nfs/dbraw/zinc/59/21/17/521592117.db2.gz IDZWDSAFQSNIGD-QGZVFWFLSA-N 0 0 256.345 3.650 10 0 CHAERN CCCn1ccc2ccc(NC(=O)[C@H]3CC[C@H](C)O3)cc21 ZINC000158510848 521658885 /nfs/dbraw/zinc/65/88/85/521658885.db2.gz QAZRGJOICATPCM-BLLLJJGKSA-N 0 0 286.375 3.557 10 0 CHAERN CCS[C@@H]1CC[C@H](Nc2nc(C(C)C)ns2)C1 ZINC000226804343 521728061 /nfs/dbraw/zinc/72/80/61/521728061.db2.gz DNLXZVQAYVEZCK-VHSXEESVSA-N 0 0 271.455 3.748 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccccc2C)c1 ZINC000037086625 521804587 /nfs/dbraw/zinc/80/45/87/521804587.db2.gz VVHRHYGHMIFUCK-AWEZNQCLSA-N 0 0 282.387 3.836 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccsc2)c1 ZINC000050342424 521807663 /nfs/dbraw/zinc/80/76/63/521807663.db2.gz XVRFDEZRFAOSSB-LLVKDONJSA-N 0 0 274.389 3.589 10 0 CHAERN CCc1ccccc1Oc1ncc(Br)cn1 ZINC000067119742 521926235 /nfs/dbraw/zinc/92/62/35/521926235.db2.gz XPEDLJAZOFCOBJ-UHFFFAOYSA-N 0 0 279.137 3.594 10 0 CHAERN CC[C@H](C)[C@H](C)Nc1cc(Cl)ccc1C(N)=S ZINC000062788233 521940541 /nfs/dbraw/zinc/94/05/41/521940541.db2.gz JPFOIKCFLNERHH-IUCAKERBSA-N 0 0 270.829 3.821 10 0 CHAERN CC[C@H](C)c1ccccc1NC(=O)c1cscn1 ZINC000062660047 522047213 /nfs/dbraw/zinc/04/72/13/522047213.db2.gz PBSFQSNTHPQMFP-JTQLQIEISA-N 0 0 260.362 3.909 10 0 CHAERN CCc1csc([C@H]2CCCN(C(=O)C[C@H](C)CC)C2)n1 ZINC000191781321 522117225 /nfs/dbraw/zinc/11/72/25/522117225.db2.gz QNISATDYRKLDFS-OLZOCXBDSA-N 0 0 294.464 3.848 10 0 CHAERN COC[C@H](C)C(=O)N([C@H](C)c1ccccc1Cl)C1CC1 ZINC000103372856 522544946 /nfs/dbraw/zinc/54/49/46/522544946.db2.gz IQMKPLKHSRUPLG-NWDGAFQWSA-N 0 0 295.810 3.675 10 0 CHAERN CNc1cc(C(F)F)nc2c(F)cc(F)c(F)c12 ZINC000061629803 522565499 /nfs/dbraw/zinc/56/54/99/522565499.db2.gz UUHKANDMYUTRCE-UHFFFAOYSA-N 0 0 262.181 3.631 10 0 CHAERN CNc1ccc(COc2cc(C)cc(C)c2C)cn1 ZINC000050832722 522613302 /nfs/dbraw/zinc/61/33/02/522613302.db2.gz FTVBFPMZBMXRKL-UHFFFAOYSA-N 0 0 256.349 3.628 10 0 CHAERN CNc1ccc(Cl)cc1C(=O)N(C)Cc1cccs1 ZINC000050751477 522624990 /nfs/dbraw/zinc/62/49/90/522624990.db2.gz OFQAKDDQKAYEKE-UHFFFAOYSA-N 0 0 294.807 3.715 10 0 CHAERN CNc1ccnc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000050719831 522669460 /nfs/dbraw/zinc/66/94/60/522669460.db2.gz ZDSIBBDOMCDCIS-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CNc1nc(-c2ccc([C@@H]3C[C@@H]3C)o2)nc(C)c1C ZINC000050865908 522674551 /nfs/dbraw/zinc/67/45/51/522674551.db2.gz FLEQBOZLDQPCMU-GZMMTYOYSA-N 0 0 257.337 3.519 10 0 CHAERN CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1NC ZINC000050747059 523014037 /nfs/dbraw/zinc/01/40/37/523014037.db2.gz DDVDEVFDFXEZSH-LBPRGKRZSA-N 0 0 280.799 3.786 10 0 CHAERN COc1ccc(-c2nc(C)c(Br)s2)cc1 ZINC000057592965 523194606 /nfs/dbraw/zinc/19/46/06/523194606.db2.gz HDASJTAXVDVIDK-UHFFFAOYSA-N 0 0 284.178 3.890 10 0 CHAERN CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000062753598 523347085 /nfs/dbraw/zinc/34/70/85/523347085.db2.gz WCPSOKBKAQYGSL-REWJHTLYSA-N 0 0 269.429 3.632 10 0 CHAERN CCc1c(C)nc(Cc2cccc(Cl)c2)nc1NC ZINC000050849352 523709723 /nfs/dbraw/zinc/70/97/23/523709723.db2.gz QNZUPIKPYPTHTA-UHFFFAOYSA-N 0 0 275.783 3.633 10 0 CHAERN CCc1cc(NC)nc(-c2cccc(Br)c2)n1 ZINC000050850917 523820112 /nfs/dbraw/zinc/82/01/12/523820112.db2.gz OFPZHTRFMQHNSI-UHFFFAOYSA-N 0 0 292.180 3.510 10 0 CHAERN Cc1ncc(CN[C@@H]2CCCOc3c(C)cc(C)cc32)o1 ZINC000335281531 534743690 /nfs/dbraw/zinc/74/36/90/534743690.db2.gz SVWOVHPYHHRYSF-MRXNPFEDSA-N 0 0 286.375 3.603 10 0 CHAERN CCc1ccc(N(C)c2nc(C)c([C@@H](C)O)s2)cc1 ZINC000054927947 523958853 /nfs/dbraw/zinc/95/88/53/523958853.db2.gz DHQQPQSZRSCROJ-LLVKDONJSA-N 0 0 276.405 3.835 10 0 CHAERN CCc1ccc([C@@H](C)NC(=O)N(C)C2CCC2)cc1 ZINC000073489165 524021933 /nfs/dbraw/zinc/02/19/33/524021933.db2.gz IVSDMYYMDJVASJ-GFCCVEGCSA-N 0 0 260.381 3.504 10 0 CHAERN CCc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1 ZINC000054644706 524061603 /nfs/dbraw/zinc/06/16/03/524061603.db2.gz LCPFXIDQZCVQQC-UHFFFAOYSA-N 0 0 259.349 3.832 10 0 CHAERN Cc1cccc(-c2c(N)onc2-c2ccsc2)c1 ZINC000055332545 524106053 /nfs/dbraw/zinc/10/60/53/524106053.db2.gz XHEVGGVHLFJFBC-UHFFFAOYSA-N 0 0 256.330 3.961 10 0 CHAERN C[C@H]1CCC[C@H](SCc2nc3cc(N)ccc3[nH]2)C1 ZINC000054689617 524212291 /nfs/dbraw/zinc/21/22/91/524212291.db2.gz QZSQQBPWYSWIFU-JQWIXIFHSA-N 0 0 275.421 3.957 10 0 CHAERN COc1ccc(Cl)cc1[C@@H](O)Cc1ccsc1 ZINC000062137426 524251451 /nfs/dbraw/zinc/25/14/51/524251451.db2.gz BNZQVXQQMHAKNV-LBPRGKRZSA-N 0 0 268.765 3.686 10 0 CHAERN COc1ccc(Cl)cc1[C@@H]1CCCCC[C@H]1O ZINC000055230170 524254868 /nfs/dbraw/zinc/25/48/68/524254868.db2.gz WLCRKEMRITZGBG-WCQYABFASA-N 0 0 254.757 3.757 10 0 CHAERN C[C@H](CCc1ccco1)n1c(=S)[nH]nc1C1CC1 ZINC000049569283 524262276 /nfs/dbraw/zinc/26/22/76/524262276.db2.gz SVLPOLIHPASKIW-SECBINFHSA-N 0 0 263.366 3.605 10 0 CHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)O1 ZINC000156381877 524331280 /nfs/dbraw/zinc/33/12/80/524331280.db2.gz FWGQPQPZFIQRHZ-BBRMVZONSA-N 0 0 291.391 3.508 10 0 CHAERN Cc1cc(C)c2c(c1)NC[C@H](c1ccc(F)cc1)O2 ZINC000062538002 524346147 /nfs/dbraw/zinc/34/61/47/524346147.db2.gz XGCFKHDQZWOWBC-OAHLLOKOSA-N 0 0 257.308 3.988 10 0 CHAERN COc1ccccc1COc1ccc(N)c(Cl)c1 ZINC000050471272 524495743 /nfs/dbraw/zinc/49/57/43/524495743.db2.gz CMYLGAHTJPTIOK-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN Cc1cccc(N(C)c2nc3c(s2)C(=O)CCC3)c1 ZINC000054862961 524520849 /nfs/dbraw/zinc/52/08/49/524520849.db2.gz BYSPWAIDLUDISU-UHFFFAOYSA-N 0 0 272.373 3.738 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)O1 ZINC000151486371 524563762 /nfs/dbraw/zinc/56/37/62/524563762.db2.gz FTFXDHCYEAWUIT-RISCZKNCSA-N 0 0 287.384 3.921 10 0 CHAERN Cc1cc(C)nc(N[C@H](c2cccs2)C(C)C)n1 ZINC000049558350 524595489 /nfs/dbraw/zinc/59/54/89/524595489.db2.gz DVEMGFVDKUAHTJ-ZDUSSCGKSA-N 0 0 261.394 3.964 10 0 CHAERN Cc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1Cl ZINC000072580614 524624371 /nfs/dbraw/zinc/62/43/71/524624371.db2.gz BIHAOAITXQCIRT-JTQLQIEISA-N 0 0 284.812 3.618 10 0 CHAERN Cc1ccc(COc2cccc([C@@H](C)O)c2)cc1C ZINC000049668885 524631881 /nfs/dbraw/zinc/63/18/81/524631881.db2.gz HZQMCILUQWTQDO-CQSZACIVSA-N 0 0 256.345 3.936 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2CCC(=O)C[C@@H]2C)c2ccccc21 ZINC000252734741 524697830 /nfs/dbraw/zinc/69/78/30/524697830.db2.gz DOMQKSMQIALADI-IHHFWDAISA-N 0 0 299.414 3.747 10 0 CHAERN Cc1ccc(F)c([C@@H](O)c2ccccc2Br)c1 ZINC000055203402 524836503 /nfs/dbraw/zinc/83/65/03/524836503.db2.gz YXMUIIYBQJFHLH-AWEZNQCLSA-N 0 0 295.151 3.978 10 0 CHAERN Cc1ccc(N(C)Cc2nc(N)ccc2Cl)c(C)c1 ZINC000061638581 524888024 /nfs/dbraw/zinc/88/80/24/524888024.db2.gz CZHAIRCHBQKTKP-UHFFFAOYSA-N 0 0 275.783 3.570 10 0 CHAERN C[C@H](NC(=O)C1CC=CC1)c1ccc2ccccc2c1 ZINC000077733862 524906389 /nfs/dbraw/zinc/90/63/89/524906389.db2.gz RCIUYKRCLBBWIN-ZDUSSCGKSA-N 0 0 265.356 3.983 10 0 CHAERN C[C@H](NC(=O)CCCCCc1cccs1)[C@@H]1CCCO1 ZINC000067135986 524929933 /nfs/dbraw/zinc/92/99/33/524929933.db2.gz AYDKARGGXJQVKK-ZFWWWQNUSA-N 0 0 295.448 3.535 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000075524954 524963633 /nfs/dbraw/zinc/96/36/33/524963633.db2.gz GUDHKOGBWPAPBG-GXFFZTMASA-N 0 0 257.358 3.553 10 0 CHAERN Cc1cc(F)ccc1[C@@H](N)c1cc2ccccc2o1 ZINC000062797524 525005088 /nfs/dbraw/zinc/00/50/88/525005088.db2.gz NLVXXUOPKPVDTE-MRXNPFEDSA-N 0 0 255.292 3.928 10 0 CHAERN Cc1cc(F)ccc1[C@@]1(O)CCCc2ccccc21 ZINC000055190307 525006382 /nfs/dbraw/zinc/00/63/82/525006382.db2.gz CIGSRHCDNMQGGZ-KRWDZBQOSA-N 0 0 256.320 3.706 10 0 CHAERN Cc1cc(F)ccc1[C@]1(O)CCc2ccccc2C1 ZINC000055192220 525010836 /nfs/dbraw/zinc/01/08/36/525010836.db2.gz DKKJYHMMAMCLKF-KRWDZBQOSA-N 0 0 256.320 3.511 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cccc2ccccc21 ZINC000188124179 525012525 /nfs/dbraw/zinc/01/25/25/525012525.db2.gz HTSYBSQXRDFDRQ-PBHICJAKSA-N 0 0 297.398 3.613 10 0 CHAERN Cc1cc(N)cnc1Nc1ccccc1C(F)(F)F ZINC000052812416 525041744 /nfs/dbraw/zinc/04/17/44/525041744.db2.gz DKKRWMOXOMCWSL-UHFFFAOYSA-N 0 0 267.254 3.735 10 0 CHAERN C[C@@H](NC(=O)C1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000194025769 525065112 /nfs/dbraw/zinc/06/51/12/525065112.db2.gz VWYUJESBZKUOFV-MJJDPTRDSA-N 0 0 297.398 3.568 10 0 CHAERN C[C@@H]1CN(c2ccnc3ccc(Cl)cc32)C[C@@H](C)O1 ZINC000041479123 525070742 /nfs/dbraw/zinc/07/07/42/525070742.db2.gz GEQFMYARDDRGJJ-GHMZBOCLSA-N 0 0 276.767 3.502 10 0 CHAERN Cc1ccccc1CNc1cc(Cl)ccc1C(N)=S ZINC000062788143 525170746 /nfs/dbraw/zinc/17/07/46/525170746.db2.gz GLMXPUPCVXRZND-UHFFFAOYSA-N 0 0 290.819 3.895 10 0 CHAERN Cc1ccc(NC(=S)NCC[C@H]2CCCO2)cc1Cl ZINC000055353143 525266485 /nfs/dbraw/zinc/26/64/85/525266485.db2.gz DEYBAHBCWQLIQI-GFCCVEGCSA-N 0 0 298.839 3.504 10 0 CHAERN Cc1ccc(N[C@H](CO)c2ccc(F)cc2C)cc1 ZINC000050580687 525318096 /nfs/dbraw/zinc/31/80/96/525318096.db2.gz AOQHIOXXOWPFIJ-MRXNPFEDSA-N 0 0 259.324 3.588 10 0 CHAERN Cc1cc(SCCNc2ccc(Cl)cc2)n(C)n1 ZINC000053624133 525435414 /nfs/dbraw/zinc/43/54/14/525435414.db2.gz LPFSUHSGMIPSRR-UHFFFAOYSA-N 0 0 281.812 3.586 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000187835054 525554834 /nfs/dbraw/zinc/55/48/34/525554834.db2.gz SPLRHXAJAWEOMO-SOUVJXGZSA-N 0 0 291.391 3.538 10 0 CHAERN C[C@H](Nc1ccc(Cl)cc1C(N)=S)c1cccnc1 ZINC000052858233 525650586 /nfs/dbraw/zinc/65/05/86/525650586.db2.gz GLZBHQBWPHJRDV-VIFPVBQESA-N 0 0 291.807 3.542 10 0 CHAERN CSC[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000066766198 525672837 /nfs/dbraw/zinc/67/28/37/525672837.db2.gz CSTPVXKKVWQRCV-DTWKUNHWSA-N 0 0 289.803 3.655 10 0 CHAERN Cc1c(C)c(C)c([C@H](O)C2CCOCC2)c(C)c1C ZINC000061673182 525676638 /nfs/dbraw/zinc/67/66/38/525676638.db2.gz GQNKQLCIQGYDSB-QGZVFWFLSA-N 0 0 262.393 3.689 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CSc3ccccc32)o1 ZINC000118313604 525713176 /nfs/dbraw/zinc/71/31/76/525713176.db2.gz JYDCPIZMXHEYTQ-YPMHNXCESA-N 0 0 287.384 3.655 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2C)o1 ZINC000119976928 525715602 /nfs/dbraw/zinc/71/56/02/525715602.db2.gz LBXVCBGRELZURX-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN C[C@@](O)(c1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000055236722 525781203 /nfs/dbraw/zinc/78/12/03/525781203.db2.gz LXTZNOBVJAQSRR-CQSZACIVSA-N 0 0 268.690 3.874 10 0 CHAERN CS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000125806041 525822129 /nfs/dbraw/zinc/82/21/29/525822129.db2.gz PHRBPFFHUHCCOX-QWHCGFSZSA-N 0 0 296.436 3.576 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@@H](C)C2CC2)c(Br)c1 ZINC000061695453 525868571 /nfs/dbraw/zinc/86/85/71/525868571.db2.gz IMGOBZDYEGYQMR-VHSXEESVSA-N 0 0 298.224 3.737 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H](C)c2c(C)noc2C)o1 ZINC000130607867 525891545 /nfs/dbraw/zinc/89/15/45/525891545.db2.gz ZUVOUYUMCYXJQF-KOLCDFICSA-N 0 0 290.363 3.564 10 0 CHAERN Cc1ccc([C@H](C)Nc2cc(C)nc(Cl)n2)cc1 ZINC000052814682 525947529 /nfs/dbraw/zinc/94/75/29/525947529.db2.gz PPIZOKKHYPFBSY-NSHDSACASA-N 0 0 261.756 3.920 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)/C=C/c2cccnc2)o1 ZINC000127419109 525992346 /nfs/dbraw/zinc/99/23/46/525992346.db2.gz WPKBNMJCXQPAMD-XAVKZTDYSA-N 0 0 296.370 3.750 10 0 CHAERN C[C@H](c1ccccc1Cl)N(C)CC(=O)c1ccco1 ZINC000062015576 526111150 /nfs/dbraw/zinc/11/11/50/526111150.db2.gz ITDNZJOICYGKIN-LLVKDONJSA-N 0 0 277.751 3.809 10 0 CHAERN C[C@H](c1ccccc1F)N(C)c1ccc(C=O)cc1 ZINC000062015056 526117539 /nfs/dbraw/zinc/11/75/39/526117539.db2.gz MANOUWUATLHGSX-GFCCVEGCSA-N 0 0 257.308 3.836 10 0 CHAERN Cc1ccc2c(c1)[nH]c(=S)n2Cc1nccs1 ZINC000049534141 526214536 /nfs/dbraw/zinc/21/45/36/526214536.db2.gz DRTWIFHFDAQSJZ-UHFFFAOYSA-N 0 0 261.375 3.512 10 0 CHAERN Cc1ccc(C(C)C)c(OCCCCC(N)=S)c1 ZINC000049583089 526247747 /nfs/dbraw/zinc/24/77/47/526247747.db2.gz BCNBLPFGMCIJJU-UHFFFAOYSA-N 0 0 265.422 3.954 10 0 CHAERN Cc1cnoc1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073153428 526269039 /nfs/dbraw/zinc/26/90/39/526269039.db2.gz YBOWBYMXFLNXOC-UHFFFAOYSA-N 0 0 258.321 3.533 10 0 CHAERN FC(F)n1ccnc1CN[C@@H]1CCCc2sccc21 ZINC000061362478 526271588 /nfs/dbraw/zinc/27/15/88/526271588.db2.gz SYMSBFCRSJNEAO-SNVBAGLBSA-N 0 0 283.347 3.507 10 0 CHAERN Cc1coc(-c2cccc(NC(=O)N[C@@H](C)CC3CC3)c2)n1 ZINC000157794908 526277568 /nfs/dbraw/zinc/27/75/68/526277568.db2.gz QXAKVTKJVZUQHH-NSHDSACASA-N 0 0 299.374 3.960 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1ccc(F)cc1Cl ZINC000061845891 526295699 /nfs/dbraw/zinc/29/56/99/526295699.db2.gz GKRACMQRUYZJAF-CQSZACIVSA-N 0 0 268.690 3.894 10 0 CHAERN O=C([O-])[C@H]([NH2+]C1CCCC1)c1csc2ccccc21 ZINC000054465405 526312060 /nfs/dbraw/zinc/31/20/60/526312060.db2.gz WHNXJINLQWFJKH-CQSZACIVSA-N 0 0 275.373 3.559 10 0 CHAERN Cc1csc(CC(=O)Cc2c(C)cc(C)cc2C)n1 ZINC000055266801 526332982 /nfs/dbraw/zinc/33/29/82/526332982.db2.gz OBRXECSSMLTWEI-UHFFFAOYSA-N 0 0 273.401 3.731 10 0 CHAERN Fc1ccc(NCCOc2ccccc2)c(Cl)c1 ZINC000049136566 526353640 /nfs/dbraw/zinc/35/36/40/526353640.db2.gz IOUOOURVXUBTBP-UHFFFAOYSA-N 0 0 265.715 3.970 10 0 CHAERN Cc1csc(CSCc2nccn2C(C)C)n1 ZINC000126901943 526365581 /nfs/dbraw/zinc/36/55/81/526365581.db2.gz PWKGWQQDUOSGSJ-UHFFFAOYSA-N 0 0 267.423 3.662 10 0 CHAERN Fc1ccc2[nH]c(=S)n(CC3CCC3)c2c1F ZINC000053168798 526368224 /nfs/dbraw/zinc/36/82/24/526368224.db2.gz WRRCLVWACMJJAN-UHFFFAOYSA-N 0 0 254.305 3.777 10 0 CHAERN O=c1[nH]c2c(o1)c(Cl)c(Br)cc2Cl ZINC000062558207 526379221 /nfs/dbraw/zinc/37/92/21/526379221.db2.gz MRLJGLPBYHWHGY-UHFFFAOYSA-N 0 0 282.908 3.603 10 0 CHAERN O=C(c1ccc2ncccc2c1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291020611 526738025 /nfs/dbraw/zinc/73/80/25/526738025.db2.gz DHOGRLDEQJDYPG-KRWDZBQOSA-N 0 0 292.382 3.640 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccc(N)c(C)c2)s1 ZINC000049533736 526747155 /nfs/dbraw/zinc/74/71/55/526747155.db2.gz UQLCHBQFWAQSNA-SNVBAGLBSA-N 0 0 261.394 3.824 10 0 CHAERN O=C(c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000062785268 526765678 /nfs/dbraw/zinc/76/56/78/526765678.db2.gz SKHUKSOQEHFLCS-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN Cc1nc(C2(c3ccccc3)CC2)sc1[C@H](C)O ZINC000062782083 526770453 /nfs/dbraw/zinc/77/04/53/526770453.db2.gz YSRILBJSVKHFPL-NSHDSACASA-N 0 0 259.374 3.585 10 0 CHAERN O=C(c1ccccc1F)N1CCCC[C@H]1c1nccs1 ZINC000264129782 526805433 /nfs/dbraw/zinc/80/54/33/526805433.db2.gz INQXGMVQGCKUAH-ZDUSSCGKSA-N 0 0 290.363 3.650 10 0 CHAERN O=C(c1ccn(C2CCCC2)n1)N1CCC[C@H]1c1ccco1 ZINC000155131861 526841032 /nfs/dbraw/zinc/84/10/32/526841032.db2.gz SKKOWVGXONOGAP-HNNXBMFYSA-N 0 0 299.374 3.569 10 0 CHAERN O=C(c1coc2ccccc12)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893805 526899573 /nfs/dbraw/zinc/89/95/73/526899573.db2.gz RVXIYQUPMMZPPV-HNNXBMFYSA-N 0 0 295.342 3.523 10 0 CHAERN Clc1ccc(NCCCn2ccnc2)cc1Cl ZINC000049327727 526956479 /nfs/dbraw/zinc/95/64/79/526956479.db2.gz BNNLBYIFRZKHGE-UHFFFAOYSA-N 0 0 270.163 3.692 10 0 CHAERN O=C1CCCc2c1ccn2[C@@H]1CCCc2sccc21 ZINC000061366760 526985277 /nfs/dbraw/zinc/98/52/77/526985277.db2.gz DGQVGZBBVNWPHL-CQSZACIVSA-N 0 0 271.385 3.994 10 0 CHAERN O=C1CCCc2nc(-c3ccc(F)cc3F)sc21 ZINC000055265986 526986604 /nfs/dbraw/zinc/98/66/04/526986604.db2.gz PTQTZGCGKWMCDX-UHFFFAOYSA-N 0 0 265.284 3.607 10 0 CHAERN Clc1nc(CN2CCCC[C@H]2c2nccs2)cs1 ZINC000297086187 527003080 /nfs/dbraw/zinc/00/30/80/527003080.db2.gz KGKTWLCIGHKPPW-JTQLQIEISA-N 0 0 299.852 3.980 10 0 CHAERN NC(=S)c1ccc(Cl)cc1NCc1ccccc1F ZINC000062787961 527118430 /nfs/dbraw/zinc/11/84/30/527118430.db2.gz MHDWZOLYEZFBMS-UHFFFAOYSA-N 0 0 294.782 3.725 10 0 CHAERN NC(=S)c1ccc(Cl)cc1NC1CCCCC1 ZINC000062787860 527118885 /nfs/dbraw/zinc/11/88/85/527118885.db2.gz YLVVKCCEQSMTOM-UHFFFAOYSA-N 0 0 268.813 3.719 10 0 CHAERN NC(=S)c1ccc(Cl)cc1OC1CCCCC1 ZINC000062788624 527119102 /nfs/dbraw/zinc/11/91/02/527119102.db2.gz CBBMQXUEIHHPCX-UHFFFAOYSA-N 0 0 269.797 3.686 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1cc(C)cc(C)c1 ZINC000052842459 527122001 /nfs/dbraw/zinc/12/20/01/527122001.db2.gz TXKBVCASGLMFNJ-UHFFFAOYSA-N 0 0 251.333 3.533 10 0 CHAERN Nc1n[nH]c(-c2cccc(F)c2)c1-c1cccs1 ZINC000052901247 527421847 /nfs/dbraw/zinc/42/18/47/527421847.db2.gz GSWHUGRDELCJIP-UHFFFAOYSA-N 0 0 259.309 3.527 10 0 CHAERN Nc1n[nH]c(-c2cc(F)cc(F)c2)c1-c1cccs1 ZINC000052901472 527421891 /nfs/dbraw/zinc/42/18/91/527421891.db2.gz GYLCCLQGFOBBOU-UHFFFAOYSA-N 0 0 277.299 3.666 10 0 CHAERN Nc1cc(Cl)ccc1NCCCOc1ccccc1 ZINC000052092102 527451598 /nfs/dbraw/zinc/45/15/98/527451598.db2.gz BIJLNKRQOLXKJR-UHFFFAOYSA-N 0 0 276.767 3.803 10 0 CHAERN Nc1ccc(F)cc1OCc1c(F)cccc1Cl ZINC000049345070 527489270 /nfs/dbraw/zinc/48/92/70/527489270.db2.gz KXRIMRLDJFMZDQ-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Nc1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1 ZINC000052852012 527509716 /nfs/dbraw/zinc/50/97/16/527509716.db2.gz BGUJUGTZXGNCBB-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN Nc1sc(C2CC2)nc1-c1cc(F)c(F)c(F)c1 ZINC000062707193 527581298 /nfs/dbraw/zinc/58/12/98/527581298.db2.gz IGKSBSWENLAFJP-UHFFFAOYSA-N 0 0 270.279 3.687 10 0 CHAERN Cc1nn(C)c(C)c1-c1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689182 527601607 /nfs/dbraw/zinc/60/16/07/527601607.db2.gz WXAJMEULPHOVEM-UHFFFAOYSA-N 0 0 278.787 3.579 10 0 CHAERN O[C@@H](Cc1ccc(Cl)cc1Cl)c1cncc(F)c1 ZINC000049577098 527664446 /nfs/dbraw/zinc/66/44/46/527664446.db2.gz LZEUTZNVJKIHCX-ZDUSSCGKSA-N 0 0 286.133 3.804 10 0 CHAERN O[C@@H](Cc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000053147000 527664749 /nfs/dbraw/zinc/66/47/49/527664749.db2.gz GSYNZDKITNTFNQ-ZDUSSCGKSA-N 0 0 268.143 3.665 10 0 CHAERN O[C@@H](c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703338 527666776 /nfs/dbraw/zinc/66/67/76/527666776.db2.gz FMOJQDNSZVBBOW-LLVKDONJSA-N 0 0 274.263 3.728 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000087406513 527697462 /nfs/dbraw/zinc/69/74/62/527697462.db2.gz CJRVSSJDODBQAA-SECBINFHSA-N 0 0 283.297 3.920 10 0 CHAERN CC1(C)C[C@H]1c1noc([C@@H]2CC23CCSCC3)n1 ZINC000334541519 527767496 /nfs/dbraw/zinc/76/74/96/527767496.db2.gz DGJISUGCQVOVNB-UWVGGRQHSA-N 0 0 264.394 3.584 10 0 CHAERN CCC[C@H]1C[C@H]1Nc1nc(-c2cccnc2)nc(C)c1C ZINC000301434631 528437047 /nfs/dbraw/zinc/43/70/47/528437047.db2.gz KAEYOTIIIHUGSA-DZGCQCFKSA-N 0 0 282.391 3.756 10 0 CHAERN CC1(C)CCCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000334983516 528919399 /nfs/dbraw/zinc/91/93/99/528919399.db2.gz BSCHHXQFJRIELL-GFCCVEGCSA-N 0 0 264.369 3.647 10 0 CHAERN CC(C)c1nc(CSCC[Si](C)(C)C)no1 ZINC000725246306 567908135 /nfs/dbraw/zinc/90/81/35/567908135.db2.gz UDXLTLGBMQQTFU-UHFFFAOYSA-N 0 0 258.463 3.764 10 0 CHAERN CCc1c(C)cc2nc(C(F)(F)C(F)F)nn2c1Cl ZINC000725245398 567908300 /nfs/dbraw/zinc/90/83/00/567908300.db2.gz DCIQBWMKLHYTTK-UHFFFAOYSA-N 0 0 295.667 3.610 10 0 CHAERN FC(F)(Br)c1ccc(Br)cc1 ZINC000066314802 570245398 /nfs/dbraw/zinc/24/53/98/570245398.db2.gz ZOTJZUPHVSVCKX-UHFFFAOYSA-N 0 0 285.913 3.893 10 0 CHAERN Cc1cc(Br)ccc1[C@@]1(O)CCC[C@@H]1C ZINC000521401191 570340159 /nfs/dbraw/zinc/34/01/59/570340159.db2.gz GJSAMPXXGUVEAK-GXFFZTMASA-N 0 0 269.182 3.765 10 0 CHAERN O=C1Nc2cccc(CCCCCc3ccccc3)c2C1=O ZINC000001531432 560181482 /nfs/dbraw/zinc/18/14/82/560181482.db2.gz FHHUFXFTSWTUMR-UHFFFAOYSA-N 0 0 293.366 3.777 10 0 biogenic,in-vitro CHAERN CC(C)=CCCC1=C[C@@H](c2cc(O)ccc2O)OC1 ZINC000013480288 560217239 /nfs/dbraw/zinc/21/72/39/560217239.db2.gz RLSJCCIBFMIPMJ-INIZCTEOSA-N 0 0 260.333 3.842 10 0 in-vitro CHAERN CCOC(=O)[C@@H](O)C1(F)CCCCCCCCCCC1 ZINC000675052969 566932282 /nfs/dbraw/zinc/93/22/82/566932282.db2.gz JOQQFXXFLHRXDS-CQSZACIVSA-N 0 0 288.403 3.923 10 0 CHAERN CC(C)(C)C(=O)[C@@]1(C)C(=O)c2ccccc2C1(C)C ZINC000000405084 566945971 /nfs/dbraw/zinc/94/59/71/566945971.db2.gz DKJPQTIIAWRXFX-QGZVFWFLSA-N 0 0 258.361 3.782 10 0 CHAERN O=C1[C@H]2[C@H](c3ccc(F)cc3)C[C@@H]2CN1Cc1ccccc1 ZINC000669372337 566949380 /nfs/dbraw/zinc/94/93/80/566949380.db2.gz MKUKVMKYVKARPS-BPQIPLTHSA-N 0 0 295.357 3.588 10 0 CHAERN C[C@H]1C(=O)CC[C@H]1Sc1ccc(Br)cc1 ZINC000083000425 566962749 /nfs/dbraw/zinc/96/27/49/566962749.db2.gz KXPMNMYSFJKHNL-QPUJVOFHSA-N 0 0 285.206 3.909 10 0 CHAERN Brc1ccc(-c2cn3ccccc3n2)s1 ZINC000000103714 567035202 /nfs/dbraw/zinc/03/52/02/567035202.db2.gz PCLHOEDIIPVWHU-UHFFFAOYSA-N 0 0 279.162 3.825 10 0 CHAERN CSCCSCC(=O)c1ccccc1Cl ZINC000320401451 567099440 /nfs/dbraw/zinc/09/94/40/567099440.db2.gz QVZULKDVRDPAJW-UHFFFAOYSA-N 0 0 260.811 3.619 10 0 CHAERN Oc1cc2ccc(Br)cc2nc1C(F)F ZINC000685962926 567210574 /nfs/dbraw/zinc/21/05/74/567210574.db2.gz AMQCCEJIVVFYNM-UHFFFAOYSA-N 0 0 274.064 3.641 10 0 CHAERN Clc1ccc(Cl)c(-c2ncn(CC3CC3)n2)c1 ZINC000616579640 567212422 /nfs/dbraw/zinc/21/24/22/567212422.db2.gz VCGUCSYDXJVXHU-UHFFFAOYSA-N 0 0 268.147 3.662 10 0 CHAERN C[C@H](O)c1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000109577779 567219628 /nfs/dbraw/zinc/21/96/28/567219628.db2.gz QRIWWNLWSSFGKK-QWRGUYRKSA-N 0 0 253.773 3.772 10 0 CHAERN CC(C)c1nc2cc(C(F)F)cc(Br)n2n1 ZINC000725248661 567220156 /nfs/dbraw/zinc/22/01/56/567220156.db2.gz ZZQGPHALLMEXPM-UHFFFAOYSA-N 0 0 290.111 3.553 10 0 CHAERN O[C@]1(c2ccccc2)CC[C@H]2[C@@H]1CC[C@]2(O)c1ccccc1 ZINC000004321569 567856572 /nfs/dbraw/zinc/85/65/72/567856572.db2.gz BGPALYKOUQFTBY-MUGJNUQGSA-N 0 0 294.394 3.582 10 0 CHAERN C[C@]12CC[C@H]3c4ccc(N)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004347819 567857149 /nfs/dbraw/zinc/85/71/49/567857149.db2.gz UNBVZLXCQDVEGX-OVWQWFNUSA-N 0 0 269.388 3.694 10 0 CHAERN C[C@@H]1CCn2cc(-c3ccc(Br)s3)nc2C1 ZINC000258628896 567883501 /nfs/dbraw/zinc/88/35/01/567883501.db2.gz WHIIBICVZKGRSQ-MRVPVSSYSA-N 0 0 297.221 3.956 10 0 CHAERN S=c1[nH]c2ccccc2nc1Cc1ccccc1 ZINC000032916891 567886516 /nfs/dbraw/zinc/88/65/16/567886516.db2.gz CCYUPNKMSOMATD-UHFFFAOYSA-N 0 0 252.342 3.883 10 0 CHAERN O=Cc1cncc(-c2cccc(Cl)c2Cl)c1 ZINC000075729119 567894627 /nfs/dbraw/zinc/89/46/27/567894627.db2.gz FRUVBUJOWDPECD-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN Brc1cc(C2C3CC4CC(C3)CC2C4)ncn1 ZINC000409430971 567899754 /nfs/dbraw/zinc/89/97/54/567899754.db2.gz OVZWQPUDORCKGT-UHFFFAOYSA-N 0 0 293.208 3.779 10 0 CHAERN CC(C)(C)c1nc2cc(C(F)F)cc(Cl)n2n1 ZINC000725244930 567908161 /nfs/dbraw/zinc/90/81/61/567908161.db2.gz BUAOSAVUOMGLMM-UHFFFAOYSA-N 0 0 259.687 3.618 10 0 CHAERN CCc1ccc(CC(=O)Cc2ccc(Cl)cc2)nc1 ZINC000094113322 567908716 /nfs/dbraw/zinc/90/87/16/567908716.db2.gz NNBUPYBNYMIZAT-UHFFFAOYSA-N 0 0 273.763 3.652 10 0 CHAERN CC(C)(C)OC(=O)c1c(N)sc2c1CCC(C)(C)C2 ZINC000095884012 567909308 /nfs/dbraw/zinc/90/93/08/567909308.db2.gz UHGIJBKLNXBFLV-UHFFFAOYSA-N 0 0 281.421 3.801 10 0 CHAERN C[C@H]1C[C@@H](CC(=O)OC(C)(C)C)c2cccc(F)c2N1 ZINC000725254011 567912861 /nfs/dbraw/zinc/91/28/61/567912861.db2.gz ZKHCKDIWTZBJSK-QWRGUYRKSA-N 0 0 279.355 3.845 10 0 CHAERN Fc1cc2c(Cl)nsc2cc1Br ZINC000725254233 567912903 /nfs/dbraw/zinc/91/29/03/567912903.db2.gz XOKJAQWMAJPJJG-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN NNc1cc2c(Cl)cccc2nc1C1CCCC1 ZINC000725268509 567923988 /nfs/dbraw/zinc/92/39/88/567923988.db2.gz SVPAQFSOMDNFOQ-UHFFFAOYSA-N 0 0 261.756 3.831 10 0 CHAERN CN(C)c1c(Br)ccc2ccccc21 ZINC000725268734 567924091 /nfs/dbraw/zinc/92/40/91/567924091.db2.gz IRIJGTVHEZETFU-UHFFFAOYSA-N 0 0 250.139 3.668 10 0 CHAERN CC[C@H](C)c1nc2cc(Br)ccc2cc1NN ZINC000725268315 567924144 /nfs/dbraw/zinc/92/41/44/567924144.db2.gz MFARSBAPDOSCJM-QMMMGPOBSA-N 0 0 294.196 3.796 10 0 CHAERN Cc1ccc(Br)cc1-c1nnc(Cl)s1 ZINC000083689391 570252745 /nfs/dbraw/zinc/25/27/45/570252745.db2.gz FIZSJOFHRSVTPE-UHFFFAOYSA-N 0 0 289.585 3.929 10 0 CHAERN CC(C)(C)OC(=O)c1sc(Cl)nc1C(F)F ZINC000584880043 570228622 /nfs/dbraw/zinc/22/86/22/570228622.db2.gz QZADFZKVDGZSKU-UHFFFAOYSA-N 0 0 269.700 3.689 10 0 CHAERN CC(C)COc1cccc(NC(=O)OCC(F)(F)F)c1 ZINC000087304337 570253888 /nfs/dbraw/zinc/25/38/88/570253888.db2.gz PASGAXWSCOKSGH-UHFFFAOYSA-N 0 0 291.269 3.832 10 0 CHAERN COc1ccc(CNc2cn(C(C)C)nc2C)cc1C ZINC000725242470 570254920 /nfs/dbraw/zinc/25/49/20/570254920.db2.gz IMKQOQYNXYLQKE-UHFFFAOYSA-N 0 0 273.380 3.702 10 0 CHAERN CCC(C)(C)c1nc2cc(C)c(C)c(Cl)n2n1 ZINC000725246449 570255798 /nfs/dbraw/zinc/25/57/98/570255798.db2.gz MVGHKFNAIIOJKJ-UHFFFAOYSA-N 0 0 251.761 3.687 10 0 CHAERN CCC[C@H](C)c1nn2c(c1Br)NCC[C@H]2C ZINC000233342435 570411330 /nfs/dbraw/zinc/41/13/30/570411330.db2.gz QEQPYFWTBIVIQS-DTWKUNHWSA-N 0 0 286.217 3.926 10 0 CHAERN CC[C@H]1[C@H](C)CNc2c(Br)c(C(C)C)nn21 ZINC000234082092 570411903 /nfs/dbraw/zinc/41/19/03/570411903.db2.gz PNARRIZHJRWUIF-BDAKNGLRSA-N 0 0 286.217 3.782 10 0 CHAERN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000000001374 581092266 /nfs/dbraw/zinc/09/22/66/581092266.db2.gz DNXHEGUUPJUMQT-LISAXSMJSA-N 0 0 270.372 3.817 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)Cc2ccncc2)CC(C)(C)C1 ZINC000183048690 728638281 /nfs/dbraw/zinc/63/82/81/728638281.db2.gz BSNCFQLPVDSKTE-DZGCQCFKSA-N 0 0 274.408 3.502 10 0 CHAERN CC(C)CCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105070375 1125482790 /nfs/dbraw/zinc/48/27/90/1125482790.db2.gz KRDYEPNDYQRURX-UHFFFAOYSA-N 0 0 278.396 3.780 10 0 CHAERN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000706238296 969014510 /nfs/dbraw/zinc/01/45/10/969014510.db2.gz HLLKDPONDZJLTM-QMMMGPOBSA-N 0 0 297.326 3.575 10 0 CHAERN Cc1ccc(C[N@@H+](C)Cc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000701823269 977045890 /nfs/dbraw/zinc/04/58/90/977045890.db2.gz NRTFEFYHZNWHEH-UHFFFAOYSA-N 0 0 289.400 3.695 10 0 CHAERN CC(C)(C[NH2+]Cc1csc(C(=O)[O-])c1)C1=CCCC1 ZINC000701907305 977053053 /nfs/dbraw/zinc/05/30/53/977053053.db2.gz VALYLLWYLWIRMY-UHFFFAOYSA-N 0 0 279.405 3.672 10 0 CHAERN C[C@H](CC1CCCCC1)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000709929569 977472959 /nfs/dbraw/zinc/47/29/59/977472959.db2.gz DKVOMCCOAMEFJY-GHMZBOCLSA-N 0 0 296.436 3.851 10 0 CHAERN CS[C@H](C)C(=O)OCCc1ccccc1C(F)(F)F ZINC000105776158 1123071289 /nfs/dbraw/zinc/07/12/89/1123071289.db2.gz LWYVPIHTWJYWRO-SECBINFHSA-N 0 0 292.322 3.543 10 0 CHAERN CN(C)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000194156451 1125551178 /nfs/dbraw/zinc/55/11/78/1125551178.db2.gz FJZCGUAKGBEMHZ-BRWVUGGUSA-N 0 0 286.419 3.512 10 0 CHAERN CC[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000368606806 1118058541 /nfs/dbraw/zinc/05/85/41/1118058541.db2.gz FZIWBHUZSMQUDU-RYUDHWBXSA-N 0 0 261.394 3.590 10 0 CHAERN C/C(=C\c1ccc(C)cc1)C(=O)NCCCc1ccccn1 ZINC000588399668 1118544562 /nfs/dbraw/zinc/54/45/62/1118544562.db2.gz QCVVKJMODWPSMD-JQIJEIRASA-N 0 0 294.398 3.542 10 0 CHAERN CCOCCCCOC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000588402014 1118546369 /nfs/dbraw/zinc/54/63/69/1118546369.db2.gz XNBJEQKBGYOOJN-SQFISAMPSA-N 0 0 276.376 3.758 10 0 CHAERN C/C=C(/C)C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000588427588 1118694423 /nfs/dbraw/zinc/69/44/23/1118694423.db2.gz MQJJZJXOMFIVJX-NUKWSGDCSA-N 0 0 257.377 3.586 10 0 CHAERN CC(C)(C)c1ccccc1COC(=O)/C=C\c1ccncn1 ZINC000588440496 1118750457 /nfs/dbraw/zinc/75/04/57/1118750457.db2.gz DKJNGYXJBFKDSX-HJWRWDBZSA-N 0 0 296.370 3.531 10 0 CHAERN C/C(=C/C(=O)OC1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000588448666 1118788397 /nfs/dbraw/zinc/78/83/97/1118788397.db2.gz FVVPDVGRCDBDRD-WDSMJVJCSA-N 0 0 292.350 3.728 10 0 CHAERN Cc1cccnc1/C=C\C(=O)OCc1cc2ccccc2o1 ZINC000588451827 1118798720 /nfs/dbraw/zinc/79/87/20/1118798720.db2.gz VXJPAFPPRIKCLM-HJWRWDBZSA-N 0 0 293.322 3.893 10 0 CHAERN Cc1cccc([C@H](C)NC(=O)/C=C\c2ncccc2C)c1C ZINC000588453007 1118799440 /nfs/dbraw/zinc/79/94/40/1118799440.db2.gz KJOZFEDJFWMAJV-SNGWPZLWSA-N 0 0 294.398 3.897 10 0 CHAERN CSc1ccccc1N(C)C(=O)/C=C\c1ncccc1C ZINC000588453604 1118799873 /nfs/dbraw/zinc/79/98/73/1118799873.db2.gz FMJXCWVZJYXTJA-KHPPLWFESA-N 0 0 298.411 3.788 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000588453509 1118799937 /nfs/dbraw/zinc/79/99/37/1118799937.db2.gz UJZLOEAQRWMSIP-BSQDILAGSA-N 0 0 294.398 3.712 10 0 CHAERN CCc1cc(NC(=O)/C=C\c2ccc[nH]2)ccc1C ZINC000588549755 1119222321 /nfs/dbraw/zinc/22/23/21/1119222321.db2.gz QXMKVVSSFTZJLT-HJWRWDBZSA-N 0 0 254.333 3.537 10 0 CHAERN C/C=C(/CC)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000588565220 1119275237 /nfs/dbraw/zinc/27/52/37/1119275237.db2.gz NDCUKHNMXYYMNH-BJIOATRMSA-N 0 0 251.757 3.874 10 0 CHAERN C/C=C(/CC)C(=O)O[C@H]1CCCc2nc(C)sc21 ZINC000588570128 1119320559 /nfs/dbraw/zinc/32/05/59/1119320559.db2.gz VKVSSUIGNPAPEQ-JOTVYFQTSA-N 0 0 265.378 3.728 10 0 CHAERN Fc1cc2nc(/C(Cl)=C\c3cocn3)[nH]c2cc1F ZINC000588578728 1119376601 /nfs/dbraw/zinc/37/66/01/1119376601.db2.gz GPJGERAJXYVGQU-LREOWRDNSA-N 0 0 281.649 3.566 10 0 CHAERN CCC(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588616439 1119614758 /nfs/dbraw/zinc/61/47/58/1119614758.db2.gz WDFIAWZCLHAKPG-XQRVVYSFSA-N 0 0 258.239 3.672 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@@H](C)c1cccc(F)c1 ZINC000588453332 1120082942 /nfs/dbraw/zinc/08/29/42/1120082942.db2.gz AXGKKESAXKISCE-YXVBKTCISA-N 0 0 285.318 3.847 10 0 CHAERN C[C@@]1(C(=O)N2Cc3ccccc3C2)CCCc2ccccc21 ZINC000105975757 1120085895 /nfs/dbraw/zinc/08/58/95/1120085895.db2.gz AYUFDKODASDQKT-HXUWFJFHSA-N 0 0 291.394 3.823 10 0 CHAERN CCCC[C@H](C)OC(=O)/C=C\c1scnc1C ZINC000588522040 1120096903 /nfs/dbraw/zinc/09/69/03/1120096903.db2.gz PDUYVVMVMMMUMG-DMEOUFDRSA-N 0 0 253.367 3.587 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 ZINC000332830247 1121478662 /nfs/dbraw/zinc/47/86/62/1121478662.db2.gz QCTSKTHGOKUTLP-LJISPDSOSA-N 0 0 290.407 3.767 10 0 CHAERN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 ZINC000102708068 1122939283 /nfs/dbraw/zinc/93/92/83/1122939283.db2.gz ZIDQTYGVCYBSEM-QGZVFWFLSA-N 0 0 296.366 3.746 10 0 CHAERN Cc1nc(C)c(C)c(NC[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000192248118 1123186163 /nfs/dbraw/zinc/18/61/63/1123186163.db2.gz FYWSFIREKQYUCR-IRXDYDNUSA-N 0 0 297.402 3.592 10 0 CHAERN CC1CCC(=Cc2nc(-c3cccnc3)no2)CC1 ZINC000329479531 1123614359 /nfs/dbraw/zinc/61/43/59/1123614359.db2.gz VFLPNMLCDPSNII-UHFFFAOYSA-N 0 0 255.321 3.725 10 0 CHAERN CC1(C)C[C@@H]1c1noc(-c2ccnn2C2CCCC2)n1 ZINC000329576533 1123625905 /nfs/dbraw/zinc/62/59/05/1123625905.db2.gz OIKMYHIOAYKVKX-LLVKDONJSA-N 0 0 272.352 3.562 10 0 CHAERN Cc1nc(C)c(C)c(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n1 ZINC000302837132 1123986104 /nfs/dbraw/zinc/98/61/04/1123986104.db2.gz XETGFACARSNLBL-SECBINFHSA-N 0 0 298.342 3.607 10 0 CHAERN Cc1ccc(C(C)C)cc1OC(=O)c1cscn1 ZINC000103329504 1129748116 /nfs/dbraw/zinc/74/81/16/1129748116.db2.gz JRVNPAGNWMDSFL-UHFFFAOYSA-N 0 0 261.346 3.794 10 0 CHAERN Cc1cc(C)cc(OC(=O)/C=C/c2cccs2)c1 ZINC000000504980 1129759435 /nfs/dbraw/zinc/75/94/35/1129759435.db2.gz RSRZNJCPSBOOSR-AATRIKPKSA-N 0 0 258.342 3.984 10 0 CHAERN CC[C@H](CC(=O)OCC(F)(F)F)c1ccccc1 ZINC000103553398 1130481976 /nfs/dbraw/zinc/48/19/76/1130481976.db2.gz HEKDBTXBMBDMRX-SNVBAGLBSA-N 0 0 260.255 3.676 10 0 CHAERN CC(C)c1ccc(-c2cc(NC3CC3)ncn2)cc1 ZINC000082160503 177925619 /nfs/dbraw/zinc/92/56/19/177925619.db2.gz PJMUJEJDJDLJRE-UHFFFAOYSA-N 0 0 253.349 3.841 10 0 CHAERN CC(=O)Nc1ccc(O)c(-c2ccccc2Cl)c1 ZINC000082316228 177960524 /nfs/dbraw/zinc/96/05/24/177960524.db2.gz ZQSUZGQOEQVDOS-UHFFFAOYSA-N 0 0 261.708 3.671 10 0 CHAERN Nc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1 ZINC000095579975 185011346 /nfs/dbraw/zinc/01/13/46/185011346.db2.gz NMHQKWRSMMITGM-UHFFFAOYSA-N 0 0 286.338 3.874 10 0 CHAERN CC(C)Oc1cccc(Br)c1OC1CC1 ZINC000095725396 185021418 /nfs/dbraw/zinc/02/14/18/185021418.db2.gz KXLOFCHHVHEJJM-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CC(C)(C)c1ncc(Br)cc1OC1CC1 ZINC000095726260 185021494 /nfs/dbraw/zinc/02/14/94/185021494.db2.gz LSCVUOOXVCDWCF-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN Cc1cnc(Cl)nc1NC12CC3CC(CC(C3)C1)C2 ZINC000082501512 178065877 /nfs/dbraw/zinc/06/58/77/178065877.db2.gz ASRSARBMYWJIJD-UHFFFAOYSA-N 0 0 277.799 3.819 10 0 CHAERN CC(C)(C)c1nc(Cl)cc(NC2CCCC2)n1 ZINC000082509711 178076312 /nfs/dbraw/zinc/07/63/12/178076312.db2.gz PQLYCKNTDPITIP-UHFFFAOYSA-N 0 0 253.777 3.782 10 0 CHAERN CCCc1nc(Cl)cc(NCc2ccccc2)n1 ZINC000082509812 178076700 /nfs/dbraw/zinc/07/67/00/178076700.db2.gz NIQVQPKIGHMPKK-UHFFFAOYSA-N 0 0 261.756 3.695 10 0 CHAERN CC[C@@H]1Cc2cccc(NC(=O)OC(C)(C)C)c2O1 ZINC000095775709 185028179 /nfs/dbraw/zinc/02/81/79/185028179.db2.gz WUGOQEFPNLTMRK-LLVKDONJSA-N 0 0 263.337 3.747 10 0 CHAERN Cc1cnc(NC2CCCCC2)c(Br)c1 ZINC000082574692 178115174 /nfs/dbraw/zinc/11/51/74/178115174.db2.gz YVBIENBYTKQIQO-UHFFFAOYSA-N 0 0 269.186 3.897 10 0 CHAERN CC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1CO ZINC000095829995 185029040 /nfs/dbraw/zinc/02/90/40/185029040.db2.gz MACZLMHXNRVEGE-UHFFFAOYSA-N 0 0 280.730 3.552 10 0 CHAERN Brc1ccccc1CCc1nccs1 ZINC000082574197 178114359 /nfs/dbraw/zinc/11/43/59/178114359.db2.gz CUTJKWFIUWASNS-UHFFFAOYSA-N 0 0 268.179 3.691 10 0 CHAERN Nc1ccc(SC(F)(F)F)cc1C(F)(F)F ZINC000095918409 185030916 /nfs/dbraw/zinc/03/09/16/185030916.db2.gz KBJVYEZMASSSEZ-UHFFFAOYSA-N 0 0 261.190 3.900 10 0 CHAERN Nc1cnc(Nc2ccc(Br)cc2)c(Cl)c1 ZINC000082587287 178125328 /nfs/dbraw/zinc/12/53/28/178125328.db2.gz KFQLYGFNESULCU-UHFFFAOYSA-N 0 0 298.571 3.823 10 0 CHAERN Cc1ccc(/C=C\C(=O)NC(C)(C)C)cc1Cl ZINC000095936546 185033999 /nfs/dbraw/zinc/03/39/99/185033999.db2.gz WTLVFYUNIUHELK-FPLPWBNLSA-N 0 0 251.757 3.576 10 0 CHAERN CC(C)(C(=O)Nc1ccccc1Cl)c1ccc(N)cc1 ZINC000082698443 178198678 /nfs/dbraw/zinc/19/86/78/178198678.db2.gz ANLJVANHTANBDQ-UHFFFAOYSA-N 0 0 288.778 3.839 10 0 CHAERN COc1c(Cl)cc(C(=O)OC(C)C)cc1Cl ZINC000082725787 178242043 /nfs/dbraw/zinc/24/20/43/178242043.db2.gz GVPXFUXKYZMDKN-UHFFFAOYSA-N 0 0 263.120 3.567 10 0 CHAERN Fc1ccc(Br)c2c(Cl)nccc12 ZINC000082766620 178280926 /nfs/dbraw/zinc/28/09/26/178280926.db2.gz BUICVHCGBBUSHG-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN Cc1ccnc(Cl)c1NCc1ccccc1F ZINC000083383934 178387252 /nfs/dbraw/zinc/38/72/52/178387252.db2.gz VSBPLYHRZGRNBF-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN S=c1nnc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000096930039 185131901 /nfs/dbraw/zinc/13/19/01/185131901.db2.gz IBIHJCNSUOYWQE-UHFFFAOYSA-N 0 0 277.399 3.617 10 0 CHAERN CC(=O)c1cc2c(s1)CCN(Cc1ccccc1)C2 ZINC000096944735 185134806 /nfs/dbraw/zinc/13/48/06/185134806.db2.gz OLBUGCBGYYAJCW-UHFFFAOYSA-N 0 0 271.385 3.509 10 0 CHAERN CCC(=O)c1c[nH]c2cccc(Br)c12 ZINC000096960028 185142290 /nfs/dbraw/zinc/14/22/90/185142290.db2.gz MUAXXZUAADJKQS-UHFFFAOYSA-N 0 0 252.111 3.523 10 0 CHAERN CCc1cc(N2CCCC[C@H]2c2ccc(C)o2)nc(C)n1 ZINC000302065498 529531088 /nfs/dbraw/zinc/53/10/88/529531088.db2.gz CRJHRCKDMXUCAP-HNNXBMFYSA-N 0 0 285.391 3.980 10 0 CHAERN CCc1ncnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000301927394 529762401 /nfs/dbraw/zinc/76/24/01/529762401.db2.gz NGISDSJYSUOWGF-RKDXNWHRSA-N 0 0 291.292 3.711 10 0 CHAERN Clc1ccc2c(c1)NCCN2Cc1ccccc1 ZINC000076926510 136499778 /nfs/dbraw/zinc/49/97/78/136499778.db2.gz AMHQVOFXOFVJKX-UHFFFAOYSA-N 0 0 258.752 3.772 10 0 CHAERN C[C@@H]1CCc2ccccc2N1Cc1ccccc1N ZINC000019277166 136576404 /nfs/dbraw/zinc/57/64/04/136576404.db2.gz NUMNRLKSGHNQEE-CYBMUJFWSA-N 0 0 252.361 3.610 10 0 CHAERN OC[C@@H](Cc1ccccc1)c1ccccc1Br ZINC000086369541 179278636 /nfs/dbraw/zinc/27/86/36/179278636.db2.gz JQXZHORFBRGWQS-CYBMUJFWSA-N 0 0 291.188 3.768 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@H](C)c2cccs2)cc1 ZINC000103923245 185861876 /nfs/dbraw/zinc/86/18/76/185861876.db2.gz JHSIMJWXQOFOJZ-VXGBXAGGSA-N 0 0 261.390 3.999 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OC(=O)c1c(C)cccc1N ZINC000103986872 185875838 /nfs/dbraw/zinc/87/58/38/185875838.db2.gz PGBFIINHMKFTPH-JSGCOSHPSA-N 0 0 261.365 3.703 10 0 CHAERN FC(F)(F)c1ccc(N[C@H]2CCOC2)c(Cl)c1 ZINC000104064823 185890907 /nfs/dbraw/zinc/89/09/07/185890907.db2.gz INELYVWIQAELTE-QMMMGPOBSA-N 0 0 265.662 3.560 10 0 CHAERN COc1cc(O[C@H](C)c2ccccc2)c(N)cc1F ZINC000104128940 185900476 /nfs/dbraw/zinc/90/04/76/185900476.db2.gz OMTDQUOEHVGBPS-SNVBAGLBSA-N 0 0 261.296 3.557 10 0 CHAERN Nc1cc(F)c(OC(F)F)cc1Nc1ccccc1 ZINC000104132705 185903470 /nfs/dbraw/zinc/90/34/70/185903470.db2.gz VERGFHHKQLQBEU-UHFFFAOYSA-N 0 0 268.238 3.753 10 0 CHAERN Nc1cc(F)c(OCc2cccc(Cl)c2)cc1F ZINC000104140507 185909045 /nfs/dbraw/zinc/90/90/45/185909045.db2.gz AYEMEKJSHPTBCM-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Cc1cc2nn([C@@H]3CCCCO3)cc2cc1Br ZINC000087493383 179435417 /nfs/dbraw/zinc/43/54/17/179435417.db2.gz UOQGAUJMKPUKJT-ZDUSSCGKSA-N 0 0 295.180 3.806 10 0 CHAERN O[C@H](c1ccc(Cl)cc1)[C@@H]1CCOc2ccccc21 ZINC000104187465 185920286 /nfs/dbraw/zinc/92/02/86/185920286.db2.gz UPVXYBMJSHWWSX-GDBMZVCRSA-N 0 0 274.747 3.940 10 0 CHAERN Cc1cc([C@H](O)[C@@H]2CCOc3ccccc32)c(C)s1 ZINC000104188474 185919879 /nfs/dbraw/zinc/91/98/79/185919879.db2.gz WFKJKVWKLRTBOD-CZUORRHYSA-N 0 0 274.385 3.965 10 0 CHAERN CCN(CC(F)(F)F)c1ncnc(Cl)c1C(C)C ZINC000104227968 185936670 /nfs/dbraw/zinc/93/66/70/185936670.db2.gz QRERYFQLONNKKD-UHFFFAOYSA-N 0 0 281.709 3.642 10 0 CHAERN CCC1CCC(Nc2ccc(F)cc2C(N)=S)CC1 ZINC000104251939 185943821 /nfs/dbraw/zinc/94/38/21/185943821.db2.gz GSVLVIBCKZULRX-UHFFFAOYSA-N 0 0 280.412 3.841 10 0 CHAERN Cc1ccc(Oc2ccc(F)cc2C(N)=S)cc1C ZINC000104251965 185944102 /nfs/dbraw/zinc/94/41/02/185944102.db2.gz NTMWVVOGHUBVGX-UHFFFAOYSA-N 0 0 275.348 3.869 10 0 CHAERN O=C1CCCc2cc(OCCc3cccs3)ccc21 ZINC000104266615 185948830 /nfs/dbraw/zinc/94/88/30/185948830.db2.gz IDUVEDKJXUPZQF-UHFFFAOYSA-N 0 0 272.369 3.889 10 0 CHAERN Cc1cccc([S@](=O)Cc2c(N)cccc2Cl)c1 ZINC000104317563 185967123 /nfs/dbraw/zinc/96/71/23/185967123.db2.gz NPJOAAFQZJAVQC-SFHVURJKSA-N 0 0 279.792 3.538 10 0 CHAERN CCc1cc(-c2nc3ccc(F)cc3n2C)c(N)s1 ZINC000104364259 185985513 /nfs/dbraw/zinc/98/55/13/185985513.db2.gz UROMWWREJVIQMK-UHFFFAOYSA-N 0 0 275.352 3.586 10 0 CHAERN Cc1cc(C(=O)OCc2cccs2)ccc1F ZINC000104432104 186000201 /nfs/dbraw/zinc/00/02/01/186000201.db2.gz QUWOVLIBHQYGOG-UHFFFAOYSA-N 0 0 250.294 3.553 10 0 CHAERN COc1ccc(F)cc1[C@@H](O)C[C@H](C)C(C)(C)C ZINC000104432828 186000526 /nfs/dbraw/zinc/00/05/26/186000526.db2.gz OKFWWUXHHXJFBL-GWCFXTLKSA-N 0 0 254.345 3.940 10 0 CHAERN COc1ccc2c(Cl)nccc2c1Br ZINC000090548477 180001925 /nfs/dbraw/zinc/00/19/25/180001925.db2.gz SEHOMHZTSKIRNV-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN Cc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1 ZINC000090636086 180017208 /nfs/dbraw/zinc/01/72/08/180017208.db2.gz UVAFOISMNCQCNE-UHFFFAOYSA-N 0 0 291.354 3.594 10 0 CHAERN CC(=O)c1ccc(Nc2nc3ccccc3[nH]2)cc1 ZINC000090759328 180037259 /nfs/dbraw/zinc/03/72/59/180037259.db2.gz DEVTWDRYGGEJQV-UHFFFAOYSA-N 0 0 251.289 3.509 10 0 CHAERN COCCCSCC(=O)c1ccc(C(C)C)cc1 ZINC000104449149 186005821 /nfs/dbraw/zinc/00/58/21/186005821.db2.gz IYBOIQFKVXYRAH-UHFFFAOYSA-N 0 0 266.406 3.762 10 0 CHAERN CCc1ccccc1NC=C1c2ccccc2NC1=O ZINC000104489324 186007375 /nfs/dbraw/zinc/00/73/75/186007375.db2.gz DOQSISBHKITZRE-SDNWHVSQSA-N 0 0 264.328 3.654 10 0 CHAERN CCOC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000091369125 180143385 /nfs/dbraw/zinc/14/33/85/180143385.db2.gz VLSMHUVSLGUZOS-UHFFFAOYSA-N 0 0 272.348 3.504 10 0 CHAERN Cc1coc(-c2cccc(C)c2Br)n1 ZINC000118363838 186770772 /nfs/dbraw/zinc/77/07/72/186770772.db2.gz LWRSXZBSCIRWBM-UHFFFAOYSA-N 0 0 252.111 3.721 10 0 CHAERN O[C@@H](c1cc2ccncc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000144173956 187912124 /nfs/dbraw/zinc/91/21/24/187912124.db2.gz WXHLQHDZHYXMMQ-CQSZACIVSA-N 0 0 293.153 3.951 10 0 CHAERN CCO[C@@H]1Oc2ccc(Br)cc2C=C1CC ZINC000211673324 189688239 /nfs/dbraw/zinc/68/82/39/189688239.db2.gz YNMCRNGOSDHCBQ-CYBMUJFWSA-N 0 0 283.165 3.998 10 0 CHAERN O=c1cc(C(F)(F)Cl)c2c3ccccc3oc2[nH]1 ZINC000217015526 189707773 /nfs/dbraw/zinc/70/77/73/189707773.db2.gz LQIISECKMZRJIA-UHFFFAOYSA-N 0 0 269.634 3.562 10 0 CHAERN C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(F)cc2)N1C ZINC000229757522 189801815 /nfs/dbraw/zinc/80/18/15/189801815.db2.gz NCFAOYHCXKLQJD-JLZZUVOBSA-N 0 0 271.335 3.916 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000175792557 261246603 /nfs/dbraw/zinc/24/66/03/261246603.db2.gz TVUPOBIIPFMPFZ-QMMMGPOBSA-N 0 0 280.730 3.607 10 0 CHAERN O=Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1 ZINC000261507280 190040240 /nfs/dbraw/zinc/04/02/40/190040240.db2.gz HBYRPXHAALLDAM-UHFFFAOYSA-N 0 0 283.205 3.585 10 0 CHAERN O=C1c2ccccc2C[C@]12O[C@H]2c1ccc(Cl)cc1 ZINC000000163800 169560125 /nfs/dbraw/zinc/56/01/25/169560125.db2.gz UKNPEXALSJHZHE-HOTGVXAUSA-N 0 0 270.715 3.589 10 0 CHAERN O=C1CCC[C@@H](c2cccc(Br)c2)C1 ZINC000077435423 184592114 /nfs/dbraw/zinc/59/21/14/184592114.db2.gz HMYZMRYNPAQIBC-SNVBAGLBSA-N 0 0 253.139 3.676 10 0 CHAERN COc1ccc(C(=O)Oc2ccc(Cl)c(C)c2)cc1 ZINC000000504940 169658183 /nfs/dbraw/zinc/65/81/83/169658183.db2.gz BYQSRJBPBTYQKI-UHFFFAOYSA-N 0 0 276.719 3.876 10 0 CHAERN CCC(CC)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186572607 262100008 /nfs/dbraw/zinc/10/00/08/262100008.db2.gz CUAQVQHHPVRXFO-AWEZNQCLSA-N 0 0 295.452 3.734 10 0 CHAERN CC[C@H](NC(=O)c1cccc(N)c1)c1cccc(Cl)c1 ZINC000037007283 260061551 /nfs/dbraw/zinc/06/15/51/260061551.db2.gz OAWCJTOKYBPKKZ-HNNXBMFYSA-N 0 0 288.778 3.803 10 0 CHAERN CCOC(=O)[C@H]1c2ccccc2N[C@H]1c1ccccc1 ZINC000001436114 169705695 /nfs/dbraw/zinc/70/56/95/169705695.db2.gz CAMPJNZTAORCCJ-HOTGVXAUSA-N 0 0 267.328 3.500 10 0 CHAERN O=C(/C=C\c1ccccc1Br)NC1CCCC1 ZINC000211360461 130752506 /nfs/dbraw/zinc/75/25/06/130752506.db2.gz PIDBQQXIAAYXLM-KTKRTIGZSA-N 0 0 294.192 3.521 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N1CCc2sccc2C1 ZINC000035631156 134799732 /nfs/dbraw/zinc/79/97/32/134799732.db2.gz PCZVJCRYGPTMNT-SNVBAGLBSA-N 0 0 277.364 3.503 10 0 CHAERN C[C@H]1c2ccsc2CCN1c1ccccc1C=O ZINC000042770223 134896874 /nfs/dbraw/zinc/89/68/74/134896874.db2.gz MMWVROPZGSIOGC-NSHDSACASA-N 0 0 257.358 3.684 10 0 CHAERN c1ccc(CN2c3ccccc3S[C@@H]3CCO[C@@H]32)cc1 ZINC000044608761 134910775 /nfs/dbraw/zinc/91/07/75/134910775.db2.gz GPHAFLAQYXKJBD-SJORKVTESA-N 0 0 283.396 3.914 10 0 CHAERN COc1ccc(Br)cc1[C@@H](O)CC(C)C ZINC000036174983 172494855 /nfs/dbraw/zinc/49/48/55/172494855.db2.gz ANJVIYAXVGEYOC-NSHDSACASA-N 0 0 273.170 3.537 10 0 CHAERN O=C1N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)C1(F)F ZINC000003193371 169867079 /nfs/dbraw/zinc/86/70/79/169867079.db2.gz PMCVWZXJABXJQK-AWEZNQCLSA-N 0 0 291.272 3.545 10 0 CHAERN C[C@@H]1CS[C@@H](c2ccccc2OC(=O)N(C)C)S1 ZINC000003619209 169903307 /nfs/dbraw/zinc/90/33/07/169903307.db2.gz SKUDHUFZLCESCE-BXKDBHETSA-N 0 0 283.418 3.614 10 0 CHAERN O=S(=O)(c1ccccc1)n1ccc2ccc(Cl)cc21 ZINC000003654323 169906328 /nfs/dbraw/zinc/90/63/28/169906328.db2.gz IQYMLNDUYIJTKH-UHFFFAOYSA-N 0 0 291.759 3.532 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccncc1 ZINC000003897759 169922240 /nfs/dbraw/zinc/92/22/40/169922240.db2.gz DVIRRAWJSMEGQQ-BPLDGKMQSA-N 0 0 261.365 3.699 10 0 CHAERN CCC(=O)Nc1nc2c(cc(Cl)cc2Cl)s1 ZINC000004331244 169958440 /nfs/dbraw/zinc/95/84/40/169958440.db2.gz UDGAHWXDCWWEBA-UHFFFAOYSA-N 0 0 275.160 3.952 10 0 CHAERN CCOC(=O)N1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000004961210 170045672 /nfs/dbraw/zinc/04/56/72/170045672.db2.gz RPBMUUFNZNUQTM-UHFFFAOYSA-N 0 0 284.359 3.722 10 0 CHAERN Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1 ZINC000005161785 170072123 /nfs/dbraw/zinc/07/21/23/170072123.db2.gz WWKJYYDDDTUYMI-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN CC(C)(c1cc2ccccc2o1)n1nnc2ccccc21 ZINC000005284418 170082744 /nfs/dbraw/zinc/08/27/44/170082744.db2.gz HVYKZEILIKHLAK-UHFFFAOYSA-N 0 0 277.327 3.961 10 0 CHAERN CC[C@H](c1cc2ccccc2n1C)n1nnc2ccccc21 ZINC000005327735 170085811 /nfs/dbraw/zinc/08/58/11/170085811.db2.gz CJIBDGMRWNAKCN-OAHLLOKOSA-N 0 0 290.370 3.922 10 0 CHAERN C[C@H](c1nc2ccccc2s1)n1nnc2ccccc21 ZINC000005374807 170090482 /nfs/dbraw/zinc/09/04/82/170090482.db2.gz BHEUYRCMNQBNJM-SNVBAGLBSA-N 0 0 280.356 3.650 10 0 CHAERN Cc1ccc([C@@H]2OC(=O)C=C2c2ccccc2)cc1 ZINC000005416785 170096798 /nfs/dbraw/zinc/09/67/98/170096798.db2.gz GQUCWIRGHQQDML-KRWDZBQOSA-N 0 0 250.297 3.677 10 0 CHAERN Cc1cc[nH]c2nc(-c3ccc(Cl)cc3)cc(=O)c1-2 ZINC000005504153 170105576 /nfs/dbraw/zinc/10/55/76/170105576.db2.gz CDDBFXDYCBYDPU-UHFFFAOYSA-N 0 0 270.719 3.552 10 0 CHAERN O=C1CCCSCCCC(=O)CCCSCCC1 ZINC000005566636 170114235 /nfs/dbraw/zinc/11/42/35/170114235.db2.gz GINDBEJTBKXPOJ-UHFFFAOYSA-N 0 0 288.478 3.725 10 0 CHAERN CC(C)(c1ccccc1)c1ccc(OCC(N)=S)cc1 ZINC000005592681 170117269 /nfs/dbraw/zinc/11/72/69/170117269.db2.gz IPPYCYIONNBGBJ-UHFFFAOYSA-N 0 0 285.412 3.677 10 0 CHAERN Cc1c(F)cccc1N1C(=S)N=NC1c1cccs1 ZINC000005796807 170141142 /nfs/dbraw/zinc/14/11/42/170141142.db2.gz UJGQSOWZGOKVTB-UHFFFAOYSA-N 0 0 291.376 3.732 10 0 CHAERN CCCNc1nc(Cl)nc(N[C@@H](C)c2ccccc2)n1 ZINC000005835164 170145296 /nfs/dbraw/zinc/14/52/96/170145296.db2.gz ZSQLEOZGSVEBCP-JTQLQIEISA-N 0 0 291.786 3.520 10 0 CHAERN CCOC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000005856369 170147723 /nfs/dbraw/zinc/14/77/23/170147723.db2.gz PGVWMXYBRORGGU-UHFFFAOYSA-N 0 0 268.312 3.972 10 0 CHAERN CC[C@@H](Oc1ccccc1)C(=O)n1cnc2ccccc21 ZINC000006120006 170177707 /nfs/dbraw/zinc/17/77/07/170177707.db2.gz FLBWHOCDWOHLOX-MRXNPFEDSA-N 0 0 280.327 3.534 10 0 CHAERN Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)no1 ZINC000006271479 170187163 /nfs/dbraw/zinc/18/71/63/170187163.db2.gz ZDFTWSPPXIJOFR-HWKANZROSA-N 0 0 297.141 3.942 10 0 CHAERN C[C@@H](Nc1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000006285256 170188432 /nfs/dbraw/zinc/18/84/32/170188432.db2.gz VGOJQWOZQOLEJM-LLVKDONJSA-N 0 0 280.799 3.589 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1nc2c(s1)CCC2 ZINC000006301980 170189332 /nfs/dbraw/zinc/18/93/32/170189332.db2.gz RDIFOLFVAYYMGS-ZHACJKMWSA-N 0 0 284.384 3.674 10 0 CHAERN O=C(Nc1ccccc1-n1cccc1)c1ccccc1 ZINC000006392750 170197538 /nfs/dbraw/zinc/19/75/38/170197538.db2.gz KNTCNDMVARKEFY-UHFFFAOYSA-N 0 0 262.312 3.730 10 0 CHAERN CCCCC(=O)Nc1ccc(C(=O)NC(CC)CC)cc1 ZINC000006396654 170198025 /nfs/dbraw/zinc/19/80/25/170198025.db2.gz VASMKHZLSMEYIA-UHFFFAOYSA-N 0 0 290.407 3.734 10 0 CHAERN O=C1CS[C@@H](c2c(F)cccc2F)N1c1ccccc1 ZINC000006581219 170215478 /nfs/dbraw/zinc/21/54/78/170215478.db2.gz PTHIBCABAMGAHS-HNNXBMFYSA-N 0 0 291.322 3.743 10 0 CHAERN CC(C)(C)c1cc(C(=O)Nc2ccc(F)cc2)ccn1 ZINC000006882959 170253047 /nfs/dbraw/zinc/25/30/47/170253047.db2.gz NDUBHKBKVLEVGD-UHFFFAOYSA-N 0 0 272.323 3.771 10 0 CHAERN Oc1ccccc1OCc1ccc2ccccc2n1 ZINC000006962446 170259253 /nfs/dbraw/zinc/25/92/53/170259253.db2.gz XCBSSVVKDBPKNS-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN COc1ccc(NC(=O)/C=C/c2ccccc2C)cc1 ZINC000007652335 170295684 /nfs/dbraw/zinc/29/56/84/170295684.db2.gz UXCVHIQVYLRONX-KPKJPENVSA-N 0 0 267.328 3.656 10 0 CHAERN CCc1ccc(O[C@H](C)C(=O)Nc2cccc(OC)c2)cc1 ZINC000008106554 170319142 /nfs/dbraw/zinc/31/91/42/170319142.db2.gz JBRFNURACNPZRA-CYBMUJFWSA-N 0 0 299.370 3.664 10 0 CHAERN Cc1cccc(C)c1O[C@H](C)C(=O)NC1CCCCC1 ZINC000008163064 170322156 /nfs/dbraw/zinc/32/21/56/170322156.db2.gz GVOVCJIVGDKNKK-CQSZACIVSA-N 0 0 275.392 3.520 10 0 CHAERN COC[C@H](C)Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000008178007 170322698 /nfs/dbraw/zinc/32/26/98/170322698.db2.gz JFKQTMTZNLBTHI-NSHDSACASA-N 0 0 299.399 3.805 10 0 CHAERN Cc1ccccc1/C=C/C(=O)N[C@H](C)c1ccccc1 ZINC000008181785 170323193 /nfs/dbraw/zinc/32/31/93/170323193.db2.gz MRMDSBUOBMSKGI-RDRICISKSA-N 0 0 265.356 3.886 10 0 CHAERN CC(C)c1ccc(C(=O)N[C@H](C)c2ccco2)cc1 ZINC000008359841 170333088 /nfs/dbraw/zinc/33/30/88/170333088.db2.gz JFLRGYSVZGXWDR-GFCCVEGCSA-N 0 0 257.333 3.894 10 0 CHAERN Cc1c(C)c(Br)cc(C(=O)NC(C)(C)C)c1C ZINC000008535915 170339265 /nfs/dbraw/zinc/33/92/65/170339265.db2.gz OXQFVMGFVOMUNQ-UHFFFAOYSA-N 0 0 298.224 3.903 10 0 CHAERN Cc1cc(C(=O)NCc2ccccc2)c2cc(F)ccc2n1 ZINC000008548946 170339537 /nfs/dbraw/zinc/33/95/37/170339537.db2.gz PTVPOJOFVUUTQG-UHFFFAOYSA-N 0 0 294.329 3.612 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccc(N)cc1 ZINC000008581514 170341739 /nfs/dbraw/zinc/34/17/39/170341739.db2.gz XUEHUKMVOSJLFC-WQVCFCJDSA-N 0 0 275.392 3.886 10 0 CHAERN Nc1ccc2c(c1)ncn2Cc1ccc(Cl)c(Cl)c1 ZINC000008699371 170346498 /nfs/dbraw/zinc/34/64/98/170346498.db2.gz FITAVXMFYOPPED-UHFFFAOYSA-N 0 0 292.169 3.974 10 0 CHAERN COC(=O)c1cc(C)ccc1NCCOc1ccc(C)cc1 ZINC000008703156 170347880 /nfs/dbraw/zinc/34/78/80/170347880.db2.gz FNUGHFQMWMIBCC-UHFFFAOYSA-N 0 0 299.370 3.581 10 0 CHAERN Cc1ccc([C@@H](CNC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000008842776 170356977 /nfs/dbraw/zinc/35/69/77/170356977.db2.gz QRAMSPGYTUZFEE-MRXNPFEDSA-N 0 0 296.414 3.684 10 0 CHAERN Cc1ccc(/C=C/c2nc3ccccc3c(=O)o2)cc1 ZINC000008906170 170358398 /nfs/dbraw/zinc/35/83/98/170358398.db2.gz GHIVQTLFYGTKDF-ZHACJKMWSA-N 0 0 263.296 3.667 10 0 CHAERN Cc1nn(C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1C ZINC000010155601 170398868 /nfs/dbraw/zinc/39/88/68/170398868.db2.gz REEYSOBIVFIFLQ-UHFFFAOYSA-N 0 0 270.376 3.794 10 0 CHAERN Cc1cc(Oc2ncnc3c2cnn3C)ccc1C(C)C ZINC000012754246 170507666 /nfs/dbraw/zinc/50/76/66/170507666.db2.gz YVZODMQWLDBHPT-UHFFFAOYSA-N 0 0 282.347 3.587 10 0 CHAERN CC[C@@H](C)n1c(=O)ccc2cnc(Nc3ccccc3)nc21 ZINC000013835425 170603268 /nfs/dbraw/zinc/60/32/68/170603268.db2.gz JKLHWLBKGBOQKG-GFCCVEGCSA-N 0 0 294.358 3.506 10 0 CHAERN Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12 ZINC000013835585 170603280 /nfs/dbraw/zinc/60/32/80/170603280.db2.gz GLRZWGPLUSPXHR-UHFFFAOYSA-N 0 0 296.322 3.694 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000014039746 170617102 /nfs/dbraw/zinc/61/71/02/170617102.db2.gz VYQDIKKCZCPLJB-LBPRGKRZSA-N 0 0 287.334 3.794 10 0 CHAERN COc1cccc(/C=C/C(=O)NC2CCCCCCC2)c1 ZINC000015613438 170672797 /nfs/dbraw/zinc/67/27/97/170672797.db2.gz LWPXVJZVBUBOBJ-OUKQBFOZSA-N 0 0 287.403 3.938 10 0 CHAERN Cc1ccc(-c2coc(-c3ccc(N)cc3)n2)cc1 ZINC000015869174 170680852 /nfs/dbraw/zinc/68/08/52/170680852.db2.gz ZYYNKSWDKCEOJU-UHFFFAOYSA-N 0 0 250.301 3.899 10 0 CHAERN Oc1ccc([C@@H](NCC(F)(F)F)c2ccccc2)cc1 ZINC000019429955 170796748 /nfs/dbraw/zinc/79/67/48/170796748.db2.gz MERICELLUJBTJG-AWEZNQCLSA-N 0 0 281.277 3.634 10 0 CHAERN COC(=O)c1c(C)nc(-c2ccc(C)cc2C)[nH]c1=S ZINC000019514446 170822089 /nfs/dbraw/zinc/82/20/89/170822089.db2.gz DTWNCSUOBGGNIX-UHFFFAOYSA-N 0 0 288.372 3.518 10 0 CHAERN NC(=S)c1ccc(COc2cccc(Cl)c2)c(F)c1 ZINC000019806137 170874945 /nfs/dbraw/zinc/87/49/45/170874945.db2.gz ITCCCXPHPSUCBS-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCCCC(N)=S ZINC000019806171 170874961 /nfs/dbraw/zinc/87/49/61/170874961.db2.gz ORELAZMOAGMFAJ-XQQFMLRXSA-N 0 0 257.443 3.530 10 0 CHAERN COc1cc(C)ccc1Oc1ccccc1C(C)=O ZINC000019871586 170901854 /nfs/dbraw/zinc/90/18/54/170901854.db2.gz YTAPZAPIAFPLHH-UHFFFAOYSA-N 0 0 256.301 3.999 10 0 CHAERN Cc1cc(Br)ccc1N[C@@H](C)C1CC1 ZINC000019905606 170917542 /nfs/dbraw/zinc/91/75/42/170917542.db2.gz GBCLHKWIYMCLQC-VIFPVBQESA-N 0 0 254.171 3.968 10 0 CHAERN COc1ccc(N[C@H](C)c2ccc(O)cc2)cc1OC ZINC000019908605 170920333 /nfs/dbraw/zinc/92/03/33/170920333.db2.gz GETYKVBLUIEIAH-LLVKDONJSA-N 0 0 273.332 3.583 10 0 CHAERN COc1cc(N[C@H]2CCOc3ccccc32)cc(OC)c1 ZINC000019909759 170921230 /nfs/dbraw/zinc/92/12/30/170921230.db2.gz FIVSQCOXBBVPRM-INIZCTEOSA-N 0 0 285.343 3.640 10 0 CHAERN COc1ccc(OC)c(N[C@H](C)c2ccc(C)o2)c1 ZINC000019910618 170921670 /nfs/dbraw/zinc/92/16/70/170921670.db2.gz QZGCEYMZVSUKBX-LLVKDONJSA-N 0 0 261.321 3.778 10 0 CHAERN COc1ccc(Cl)cc1N[C@H]1COc2cc(O)ccc21 ZINC000019914209 170924521 /nfs/dbraw/zinc/92/45/21/170924521.db2.gz WQALLFZJVBWMIP-ZDUSSCGKSA-N 0 0 291.734 3.600 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccc(S(C)(=O)=O)cc2)CC(C)(C)C1 ZINC000019917620 170926423 /nfs/dbraw/zinc/92/64/23/170926423.db2.gz CGWPOBIJBAJKOG-TZMCWYRMSA-N 0 0 295.448 3.717 10 0 CHAERN CC(C)c1ccccc1NC(=O)Cc1cccc(N)c1 ZINC000020186068 171049606 /nfs/dbraw/zinc/04/96/06/171049606.db2.gz JFQLUOXRGMMELJ-UHFFFAOYSA-N 0 0 268.360 3.573 10 0 CHAERN Cc1ccc(NC(=O)CCc2cccc(N)c2)cc1Cl ZINC000020187138 171051598 /nfs/dbraw/zinc/05/15/98/171051598.db2.gz AXZHJHZWPMHWOG-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN CN(C(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020212735 171075768 /nfs/dbraw/zinc/07/57/68/171075768.db2.gz MRGZDNIDHYGMBL-UHFFFAOYSA-N 0 0 276.723 3.714 10 0 CHAERN Fc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246278 171099611 /nfs/dbraw/zinc/09/96/11/171099611.db2.gz GVDHDKPXIWDXLS-UHFFFAOYSA-N 0 0 252.292 3.986 10 0 CHAERN C[C@H](Nc1ccc(F)cc1Cl)C(=O)Nc1ccccc1 ZINC000020304156 171140815 /nfs/dbraw/zinc/14/08/15/171140815.db2.gz BYWPVPZEYVFJSO-JTQLQIEISA-N 0 0 292.741 3.918 10 0 CHAERN C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000020313764 171145714 /nfs/dbraw/zinc/14/57/14/171145714.db2.gz KKHWPBCSJCSRJU-MRVPVSSYSA-N 0 0 289.206 3.709 10 0 CHAERN Cc1cc(C)c(/C=C2\N=C(c3ccccc3)OC2=O)c(C)c1 ZINC000020344356 171153989 /nfs/dbraw/zinc/15/39/89/171153989.db2.gz MCXVBPYDEAGNAA-BOPFTXTBSA-N 0 0 291.350 3.956 10 0 CHAERN Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(N)c1 ZINC000020345529 171154669 /nfs/dbraw/zinc/15/46/69/171154669.db2.gz RRPIFGDDMCJGKS-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN CC(C)c1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000020358532 171157629 /nfs/dbraw/zinc/15/76/29/171157629.db2.gz WSUZOINHNHJVPD-LBPRGKRZSA-N 0 0 262.397 3.525 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020366648 171165143 /nfs/dbraw/zinc/16/51/43/171165143.db2.gz OJKLAGKHHIIZRS-LLVKDONJSA-N 0 0 282.815 3.754 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020366802 171165262 /nfs/dbraw/zinc/16/52/62/171165262.db2.gz BXZBYULTGWLQMC-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN N[C@H](c1cc2ccccc2o1)c1c(F)cccc1F ZINC000020369318 171167083 /nfs/dbraw/zinc/16/70/83/171167083.db2.gz ZVCGSMGJUXSOPI-OAHLLOKOSA-N 0 0 259.255 3.759 10 0 CHAERN CCOc1ccccc1[C@H](N)c1cc2ccccc2o1 ZINC000020369312 171167122 /nfs/dbraw/zinc/16/71/22/171167122.db2.gz YFEWQFYJEKIOIC-KRWDZBQOSA-N 0 0 267.328 3.880 10 0 CHAERN Nc1cnccc1Oc1cccc(Cl)c1Cl ZINC000020370828 171167406 /nfs/dbraw/zinc/16/74/06/171167406.db2.gz JTOFRQYEGXBAJJ-UHFFFAOYSA-N 0 0 255.104 3.763 10 0 CHAERN C[C@H](Nc1ccc(N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000020382025 171172659 /nfs/dbraw/zinc/17/26/59/171172659.db2.gz AMBUPIINWYUDBS-GVMDUPDNSA-N 0 0 271.408 3.681 10 0 CHAERN Nc1ccc(NCc2ccccc2F)c(Cl)c1 ZINC000020383908 171174004 /nfs/dbraw/zinc/17/40/04/171174004.db2.gz JGIXGYZJZZKJKD-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN CC(C)(c1nc2ccc(N)cc2o1)c1ccccc1 ZINC000020424036 171191056 /nfs/dbraw/zinc/19/10/56/171191056.db2.gz BWUQFUKNDNXXLQ-UHFFFAOYSA-N 0 0 252.317 3.736 10 0 CHAERN CCC[C@@H](C)Nc1ccc(I)cc1 ZINC000020477282 171221197 /nfs/dbraw/zinc/22/11/97/171221197.db2.gz MFJRDMYOMJLPKZ-SECBINFHSA-N 0 0 289.160 3.892 10 0 CHAERN CCC[C@H](C)Nc1ccc(I)cc1 ZINC000020477284 171221323 /nfs/dbraw/zinc/22/13/23/171221323.db2.gz MFJRDMYOMJLPKZ-VIFPVBQESA-N 0 0 289.160 3.892 10 0 CHAERN CCCCN(CCCC)c1ccc(C(N)=S)cc1 ZINC000020485930 171225144 /nfs/dbraw/zinc/22/51/44/171225144.db2.gz VLTIBXHCQGSHOR-UHFFFAOYSA-N 0 0 264.438 3.727 10 0 CHAERN CCCCN(CCCC)c1ccccc1C(N)=S ZINC000020485927 171225581 /nfs/dbraw/zinc/22/55/81/171225581.db2.gz BOYOKPGHUXHUBX-UHFFFAOYSA-N 0 0 264.438 3.727 10 0 CHAERN C[C@@H]1C[C@H](Oc2cncc(Cl)n2)CC(C)(C)C1 ZINC000020513850 171231350 /nfs/dbraw/zinc/23/13/50/171231350.db2.gz NOXYMKZFFKBIFN-ZJUUUORDSA-N 0 0 254.761 3.724 10 0 CHAERN CC1(C)CC[C@@H](NCC(F)(F)F)c2ccccc21 ZINC000020525491 171238243 /nfs/dbraw/zinc/23/82/43/171238243.db2.gz YJAXJLBPEDEQCW-GFCCVEGCSA-N 0 0 257.299 3.951 10 0 CHAERN COc1cc(NC2[C@@H](C)CCC[C@@H]2C)cc(OC)c1 ZINC000020560444 171251334 /nfs/dbraw/zinc/25/13/34/171251334.db2.gz NJVLAHQJPOPCJR-RYUDHWBXSA-N 0 0 263.381 3.940 10 0 CHAERN Cc1cnn([C@H](C)c2ccc(C(C)(C)C)cc2)c1N ZINC000020578748 171256771 /nfs/dbraw/zinc/25/67/71/171256771.db2.gz PXWIFIDJPKSTDT-GFCCVEGCSA-N 0 0 257.381 3.681 10 0 CHAERN Cc1cnn([C@@H](C)c2ccc3ccccc3c2)c1N ZINC000020578827 171256826 /nfs/dbraw/zinc/25/68/26/171256826.db2.gz SVWJVSUTPCMIAZ-LBPRGKRZSA-N 0 0 251.333 3.536 10 0 CHAERN CC[C@H](c1ccc(Br)cc1)n1ncc(C)c1N ZINC000020579196 171256844 /nfs/dbraw/zinc/25/68/44/171256844.db2.gz OPOFSGZHKYNQMJ-GFCCVEGCSA-N 0 0 294.196 3.536 10 0 CHAERN CC1N=NC(=S)N1c1cc(C(F)(F)F)ccc1Cl ZINC000020588670 171260056 /nfs/dbraw/zinc/26/00/56/171260056.db2.gz RQFBFIINZDCVKJ-UHFFFAOYSA-N 0 0 293.701 3.537 10 0 CHAERN CC1N=NC(=S)N1c1cc(Cl)c(Cl)cc1Cl ZINC000020589422 171260508 /nfs/dbraw/zinc/26/05/08/171260508.db2.gz XZQJZBSQCDSFMX-UHFFFAOYSA-N 0 0 294.594 3.825 10 0 CHAERN S=C1N=NC(C2CC2)N1c1ccc(Cl)cc1Cl ZINC000020588806 171260553 /nfs/dbraw/zinc/26/05/53/171260553.db2.gz KZDCFAXQRYTXKV-UHFFFAOYSA-N 0 0 286.187 3.740 10 0 CHAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ncccc1C(N)=S ZINC000021008659 171285645 /nfs/dbraw/zinc/28/56/45/171285645.db2.gz AWLJMPHBBZKTMV-OBJOEFQTSA-N 0 0 292.448 3.555 10 0 CHAERN CC(C)(C)c1ccc(Oc2cc(C(N)=S)ccn2)cc1 ZINC000021013241 171288647 /nfs/dbraw/zinc/28/86/47/171288647.db2.gz JBEZKONUHZGXEA-UHFFFAOYSA-N 0 0 286.400 3.806 10 0 CHAERN CC(C)(C)c1ccc(Nc2cc(C(N)=S)ccn2)cc1 ZINC000021032201 171291976 /nfs/dbraw/zinc/29/19/76/171291976.db2.gz OFFJPIIDCORDJL-UHFFFAOYSA-N 0 0 285.416 3.757 10 0 CHAERN CCC(CC)Nc1c(F)c(F)c(F)c(F)c1F ZINC000021057291 171295775 /nfs/dbraw/zinc/29/57/75/171295775.db2.gz OFTVNIKSNHJGQG-UHFFFAOYSA-N 0 0 253.214 3.983 10 0 CHAERN COc1ccc(COc2ccc(Cl)c(C)c2)cc1N ZINC000021056133 171296024 /nfs/dbraw/zinc/29/60/24/171296024.db2.gz NQJHEADVLOZIAD-UHFFFAOYSA-N 0 0 277.751 3.818 10 0 CHAERN COc1ccc(NC(CC(C)C)CC(C)C)cn1 ZINC000021508508 171308722 /nfs/dbraw/zinc/30/87/22/171308722.db2.gz JMCREMQJXZFPPF-UHFFFAOYSA-N 0 0 250.386 3.963 10 0 CHAERN Cc1cc(Cl)ccc1OCc1cccc(C(N)=S)c1 ZINC000021513211 171311187 /nfs/dbraw/zinc/31/11/87/171311187.db2.gz LOSZJCFOQQXUJN-UHFFFAOYSA-N 0 0 291.803 3.862 10 0 CHAERN COc1ccc(CO[C@H](C)c2ccccc2)cc1N ZINC000021515740 171312615 /nfs/dbraw/zinc/31/26/15/171312615.db2.gz KAAYAVIIPHTCSU-GFCCVEGCSA-N 0 0 257.333 3.555 10 0 CHAERN CCc1cccc(NC(=O)c2ncoc2-c2ccco2)c1 ZINC000021642182 171317736 /nfs/dbraw/zinc/31/77/36/171317736.db2.gz BAEIRNWSCAUFHT-UHFFFAOYSA-N 0 0 282.299 3.749 10 0 CHAERN Cc1c(C)n(-c2ccccc2)c2nc(C)nc(Cl)c12 ZINC000021779367 171322196 /nfs/dbraw/zinc/32/21/96/171322196.db2.gz SUOGWDSEKHQQGS-UHFFFAOYSA-N 0 0 271.751 3.999 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)OC(F)(F)O2 ZINC000021807074 171327751 /nfs/dbraw/zinc/32/77/51/171327751.db2.gz JAXQVMOECKJKCL-ONGXEEELSA-N 0 0 269.291 3.999 10 0 CHAERN Cc1ccc(Oc2ccccc2C(N)=S)c(C)c1 ZINC000021810877 171328784 /nfs/dbraw/zinc/32/87/84/171328784.db2.gz NACUWQQECGEMJZ-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN Cc1c(N)cccc1NC(=O)Nc1cccc(Cl)c1 ZINC000021958600 171342389 /nfs/dbraw/zinc/34/23/89/171342389.db2.gz PFMVZTSXRNAZBT-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)Nc1ccccc1 ZINC000021968553 171343940 /nfs/dbraw/zinc/34/39/40/171343940.db2.gz OACFXFJUTVTOLV-UHFFFAOYSA-N 0 0 295.264 3.932 10 0 CHAERN CN(C)c1ccc(-c2cncc(Br)c2)cc1 ZINC000021982186 171344553 /nfs/dbraw/zinc/34/45/53/171344553.db2.gz BJCQKVHEVGTOAL-UHFFFAOYSA-N 0 0 277.165 3.577 10 0 CHAERN COc1ccc([C@H]2CC(=O)CCN2Cc2ccccc2)cc1 ZINC000021987420 171345531 /nfs/dbraw/zinc/34/55/31/171345531.db2.gz GUWWSVMOVFBYII-LJQANCHMSA-N 0 0 295.382 3.601 10 0 CHAERN COc1ccc2sc(C(=O)N3CCCC3)c(Cl)c2c1 ZINC000022337660 171385421 /nfs/dbraw/zinc/38/54/21/171385421.db2.gz LQBSCNDISMRZSN-UHFFFAOYSA-N 0 0 295.791 3.799 10 0 CHAERN CCCNC(=O)c1sc2ccc(OC)cc2c1Cl ZINC000022331530 171385708 /nfs/dbraw/zinc/38/57/08/171385708.db2.gz OAFHBHXCTZPCCI-UHFFFAOYSA-N 0 0 283.780 3.703 10 0 CHAERN COc1cc(F)c(-c2nc3cc(C)ccc3o2)cc1OC ZINC000022630843 171395451 /nfs/dbraw/zinc/39/54/51/171395451.db2.gz FWOGCSYSAVFSQY-UHFFFAOYSA-N 0 0 287.290 3.960 10 0 CHAERN CC(=O)OCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000032253566 171722331 /nfs/dbraw/zinc/72/23/31/171722331.db2.gz FGEABRLJBUFPIE-UHFFFAOYSA-N 0 0 281.764 3.569 10 0 CHAERN O[C@H]1C[C@@H](c2ccccc2Cl)Oc2ccccc21 ZINC000033495121 171807205 /nfs/dbraw/zinc/80/72/05/171807205.db2.gz UGCHRJCSIPNGLS-ZFWWWQNUSA-N 0 0 260.720 3.897 10 0 CHAERN CCC(CC)(C1=N[C@H](C(C)C)CO1)C1=N[C@@H](C(C)C)CO1 ZINC000033619910 171815465 /nfs/dbraw/zinc/81/54/65/171815465.db2.gz PIJFQTUSLZLNOP-OKILXGFUSA-N 0 0 294.439 3.699 10 0 CHAERN ON1CCC2(CC1)O[C@@H](c1ccc(F)cc1)c1ccccc12 ZINC000033828786 171822273 /nfs/dbraw/zinc/82/22/73/171822273.db2.gz ORBDDYVDYCHQEY-KRWDZBQOSA-N 0 0 299.345 3.626 10 0 CHAERN O=Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000034447512 171840219 /nfs/dbraw/zinc/84/02/19/171840219.db2.gz FJTYGWCBGYZGCV-UHFFFAOYSA-N 0 0 272.251 3.718 10 0 CHAERN CC(C)(Br)C(=O)c1ccc(Cl)cc1 ZINC000034456742 171840555 /nfs/dbraw/zinc/84/05/55/171840555.db2.gz IZEYISCHXYIBBQ-UHFFFAOYSA-N 0 0 261.546 3.696 10 0 CHAERN CCOC(=O)c1ccc(OCCCC(F)(F)F)cc1 ZINC000034516755 171842538 /nfs/dbraw/zinc/84/25/38/171842538.db2.gz JAJJSKAMBOCDNS-UHFFFAOYSA-N 0 0 276.254 3.585 10 0 CHAERN CCN[C@H](c1ccco1)c1c(F)c(F)c(F)c(F)c1F ZINC000034775219 171866075 /nfs/dbraw/zinc/86/60/75/171866075.db2.gz PNVZVIZPEHWTPL-CYBMUJFWSA-N 0 0 291.219 3.674 10 0 CHAERN Cc1cc(C(=O)COc2cccc(F)c2)c(C)s1 ZINC000034993860 171921339 /nfs/dbraw/zinc/92/13/39/171921339.db2.gz KXXGQEBQVZSFBP-UHFFFAOYSA-N 0 0 264.321 3.766 10 0 CHAERN O=C(CCCOc1ccc(F)cc1)c1cccs1 ZINC000035013546 171930899 /nfs/dbraw/zinc/93/08/99/171930899.db2.gz IRCVYXUGJKVTOS-UHFFFAOYSA-N 0 0 264.321 3.929 10 0 CHAERN CC[C@@H](C)[C@H](NCc1ccc(C(C)(C)C)cc1)C(=O)OC ZINC000035044522 171948385 /nfs/dbraw/zinc/94/83/85/171948385.db2.gz CMLVYFZSJPRRIU-CJNGLKHVSA-N 0 0 291.435 3.661 10 0 CHAERN Nc1ccc(F)cc1COCc1ccccc1Cl ZINC000035057975 171960995 /nfs/dbraw/zinc/96/09/95/171960995.db2.gz UKVIZZDWUJBIDZ-UHFFFAOYSA-N 0 0 265.715 3.778 10 0 CHAERN C[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1ccco1 ZINC000035137105 172003936 /nfs/dbraw/zinc/00/39/36/172003936.db2.gz SPDRYVOWRRIALN-VIFPVBQESA-N 0 0 279.723 3.513 10 0 CHAERN C[C@@H](NCc1ccc(F)cc1Cl)c1ccco1 ZINC000035142490 172009389 /nfs/dbraw/zinc/00/93/89/172009389.db2.gz PKZSPNTWMVRJLT-SECBINFHSA-N 0 0 253.704 3.923 10 0 CHAERN Cc1ccc2cccc(OCC(=O)c3cccs3)c2n1 ZINC000035181917 172035420 /nfs/dbraw/zinc/03/54/20/172035420.db2.gz AAHVAKKOLZIYMF-UHFFFAOYSA-N 0 0 283.352 3.866 10 0 CHAERN COc1ccc(C(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000035181818 172035686 /nfs/dbraw/zinc/03/56/86/172035686.db2.gz WYVIKQGWGIVDCO-AWEZNQCLSA-N 0 0 284.355 3.962 10 0 CHAERN COc1cccc(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000035182833 172036436 /nfs/dbraw/zinc/03/64/36/172036436.db2.gz KQIWGWXKURQQQH-UHFFFAOYSA-N 0 0 276.719 3.610 10 0 CHAERN COc1cccc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000035182848 172036748 /nfs/dbraw/zinc/03/67/48/172036748.db2.gz RGKAWABPTBKUJI-UHFFFAOYSA-N 0 0 282.748 3.672 10 0 CHAERN O=C(COc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000035183879 172037269 /nfs/dbraw/zinc/03/72/69/172037269.db2.gz IAFCQNMREXOOFJ-UHFFFAOYSA-N 0 0 270.712 3.802 10 0 CHAERN COc1ccc(C(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000035183790 172037620 /nfs/dbraw/zinc/03/76/20/172037620.db2.gz FTSFUQDNAVJOOM-ZDUSSCGKSA-N 0 0 270.328 3.654 10 0 CHAERN COC(=O)[C@@H](N[C@H](C)c1ccc(CC(C)C)cc1)C(C)C ZINC000035185714 172040046 /nfs/dbraw/zinc/04/00/46/172040046.db2.gz GPZMQFMHCOXDHW-PBHICJAKSA-N 0 0 291.435 3.733 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)O)c2)c1 ZINC000035188816 172043558 /nfs/dbraw/zinc/04/35/58/172043558.db2.gz DHGFIBRWICHAQI-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN CCC(CC)NC(=O)[C@H](C)Nc1cc(Cl)ccc1F ZINC000035284562 172102893 /nfs/dbraw/zinc/10/28/93/172102893.db2.gz SHVDQFOSRCLSPP-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN Cc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)OC(C)C ZINC000035320724 172123953 /nfs/dbraw/zinc/12/39/53/172123953.db2.gz JQGSCXBRYNPOAE-UHFFFAOYSA-N 0 0 278.739 3.604 10 0 CHAERN Cc1cccc(Oc2ccc(N)c3ncccc23)c1 ZINC000035340891 172132945 /nfs/dbraw/zinc/13/29/45/172132945.db2.gz HYWVDDQMCIFAQS-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1ccc(Oc2ccc(N)c3ncccc23)cc1 ZINC000035340921 172133170 /nfs/dbraw/zinc/13/31/70/172133170.db2.gz GLXPEZUWAMWYSI-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN CCCS(=O)(=O)c1ccccc1N[C@@H](C)CC(C)C ZINC000035348647 172142748 /nfs/dbraw/zinc/14/27/48/172142748.db2.gz NZRJLCSKIJKEKO-ZDUSSCGKSA-N 0 0 283.437 3.717 10 0 CHAERN COc1ccc(C(=O)c2ccoc2C)cc1Br ZINC000035369347 172161067 /nfs/dbraw/zinc/16/10/67/172161067.db2.gz LPZRUKPFJBWXTI-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN COc1ccc(C(=O)c2cc3c(s2)CCC3)cc1C ZINC000035379459 172162064 /nfs/dbraw/zinc/16/20/64/172162064.db2.gz RBRSSAIQPDQHJZ-UHFFFAOYSA-N 0 0 272.369 3.785 10 0 CHAERN Cc1ccoc1[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000035382380 172165643 /nfs/dbraw/zinc/16/56/43/172165643.db2.gz IFCORKZGDSMUKC-LLVKDONJSA-N 0 0 256.132 3.943 10 0 CHAERN CN[C@@H](c1ccco1)c1cc(Cl)ccc1Cl ZINC000035501799 172236958 /nfs/dbraw/zinc/23/69/58/172236958.db2.gz RTFZCVJAFFUKBE-GFCCVEGCSA-N 0 0 256.132 3.895 10 0 CHAERN CCCN[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000035575162 172271910 /nfs/dbraw/zinc/27/19/10/172271910.db2.gz XOMHGLDIFBCXLI-JTQLQIEISA-N 0 0 251.679 3.943 10 0 CHAERN C[C@@H](O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000035627774 172306165 /nfs/dbraw/zinc/30/61/65/172306165.db2.gz SACGWDXGJVPSGE-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN C[C@@H](O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000035627113 172306365 /nfs/dbraw/zinc/30/63/65/172306365.db2.gz PSPPHYCDKGFHDM-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN Cc1cc(COc2c3ccccc3ccc2[C@H](C)O)no1 ZINC000035627980 172306760 /nfs/dbraw/zinc/30/67/60/172306760.db2.gz IFFHMQFQCQBJJU-LBPRGKRZSA-N 0 0 283.327 3.769 10 0 CHAERN Cc1ccc(OCc2ccc(F)cc2)c([C@@H](C)O)c1 ZINC000035630418 172311275 /nfs/dbraw/zinc/31/12/75/172311275.db2.gz QTKNMJOCZGSGFG-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN Cc1ccc(OCc2ccccc2C)c([C@H](C)O)c1 ZINC000035630409 172311444 /nfs/dbraw/zinc/31/14/44/172311444.db2.gz FSCPHEWRRACMNP-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN Cc1ccc(COc2ccc(C)cc2[C@H](C)O)cc1 ZINC000035630423 172311803 /nfs/dbraw/zinc/31/18/03/172311803.db2.gz INXPVFCJHZKWSP-AWEZNQCLSA-N 0 0 256.345 3.936 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N1c2ccccc2C[C@H]1C ZINC000035631247 172313266 /nfs/dbraw/zinc/31/32/66/172313266.db2.gz KGDIIIHJPWCQDD-VXGBXAGGSA-N 0 0 271.335 3.962 10 0 CHAERN COc1cc(C)ccc1Oc1cccc(F)c1[C@@H](C)O ZINC000035631870 172313613 /nfs/dbraw/zinc/31/36/13/172313613.db2.gz JMUXPNPWRZIHGM-LLVKDONJSA-N 0 0 276.307 3.988 10 0 CHAERN COc1cccc(Oc2cccc(F)c2[C@H](C)O)c1 ZINC000035632140 172314183 /nfs/dbraw/zinc/31/41/83/172314183.db2.gz DTZLXGXGBSXARG-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN COc1cccc(Oc2ccc([C@H](C)O)cc2F)c1 ZINC000035632144 172314481 /nfs/dbraw/zinc/31/44/81/172314481.db2.gz TXQJXWJWFKGZFP-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN COc1ccccc1Oc1ccc(F)cc1[C@@H](C)O ZINC000035632345 172314934 /nfs/dbraw/zinc/31/49/34/172314934.db2.gz NLXUXNDBNRLUFB-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN COc1ccccc1Oc1ccc(F)cc1[C@H](C)O ZINC000035632344 172315085 /nfs/dbraw/zinc/31/50/85/172315085.db2.gz NLXUXNDBNRLUFB-JTQLQIEISA-N 0 0 262.280 3.680 10 0 CHAERN C[C@H](O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000035646964 172323189 /nfs/dbraw/zinc/32/31/89/172323189.db2.gz ANXRRYKXUXEBJC-JTQLQIEISA-N 0 0 275.735 3.646 10 0 CHAERN CCOc1ccccc1Oc1ccccc1[C@H](C)O ZINC000035650652 172326456 /nfs/dbraw/zinc/32/64/56/172326456.db2.gz QTTQFYLPMCLSCI-LBPRGKRZSA-N 0 0 258.317 3.931 10 0 CHAERN COc1cccc(OC)c1Oc1ccccc1[C@H](C)O ZINC000035650619 172326613 /nfs/dbraw/zinc/32/66/13/172326613.db2.gz JGGCWFZLJITDHH-NSHDSACASA-N 0 0 274.316 3.549 10 0 CHAERN Cc1c(Cl)cccc1Nc1ccc(N)c2nonc21 ZINC000035675507 172346086 /nfs/dbraw/zinc/34/60/86/172346086.db2.gz ICZQUYMNLRHSBR-UHFFFAOYSA-N 0 0 274.711 3.510 10 0 CHAERN C[C@H](Nc1nccc2sccc21)c1cccnc1 ZINC000035692252 172360809 /nfs/dbraw/zinc/36/08/09/172360809.db2.gz GXTOMOIGLOFOFF-JTQLQIEISA-N 0 0 255.346 3.864 10 0 CHAERN C[C@@H](Nc1ccc2cc(N)ccc2n1)c1ccco1 ZINC000035739166 172393041 /nfs/dbraw/zinc/39/30/41/172393041.db2.gz UCRQNDSEKWUFKU-SNVBAGLBSA-N 0 0 253.305 3.583 10 0 CHAERN C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000035748222 172395669 /nfs/dbraw/zinc/39/56/69/172395669.db2.gz IKOHPMJQUFBXBF-HTQZYQBOSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@@H]1c2ccc(C)cc2CCN1C(=O)c1ccncc1 ZINC000036114005 172444287 /nfs/dbraw/zinc/44/42/87/172444287.db2.gz CXAKUAONWLKJNR-QGZVFWFLSA-N 0 0 280.371 3.540 10 0 CHAERN CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCC2)cc1 ZINC000036139637 172463681 /nfs/dbraw/zinc/46/36/81/172463681.db2.gz YEEAAZLXTGAGTG-MRXNPFEDSA-N 0 0 286.419 3.692 10 0 CHAERN CCCCNC(=O)c1cc2ccc(F)cc2nc1Cl ZINC000036175115 172496035 /nfs/dbraw/zinc/49/60/35/172496035.db2.gz SNOVFJSMSRBJBF-UHFFFAOYSA-N 0 0 280.730 3.557 10 0 CHAERN COC(=O)c1[nH]c2ccccc2c1-c1ccc(F)cc1 ZINC000036428943 172635422 /nfs/dbraw/zinc/63/54/22/172635422.db2.gz BUGMVIOQSYOVGC-UHFFFAOYSA-N 0 0 269.275 3.761 10 0 CHAERN CCCSc1ccc(N)c(NC(=O)CC(C)C)c1 ZINC000036737921 172669486 /nfs/dbraw/zinc/66/94/86/172669486.db2.gz UCJGLKXWLWLFFX-UHFFFAOYSA-N 0 0 266.410 3.756 10 0 CHAERN COc1ccc(Cl)cc1COc1cccc([C@H](C)O)c1 ZINC000036867520 172764727 /nfs/dbraw/zinc/76/47/27/172764727.db2.gz IQIWMWIJUAZQRI-NSHDSACASA-N 0 0 292.762 3.981 10 0 CHAERN CCN(c1ccccc1)c1ccc(C(N)=S)cc1F ZINC000036887273 172783073 /nfs/dbraw/zinc/78/30/73/172783073.db2.gz CWGMNUXLGJVWKH-UHFFFAOYSA-N 0 0 274.364 3.618 10 0 CHAERN O=C(c1ccc2c(c1)CCO2)c1ccc(F)cc1Cl ZINC000036942084 172817964 /nfs/dbraw/zinc/81/79/64/172817964.db2.gz FSRQBDGAOQYWML-UHFFFAOYSA-N 0 0 276.694 3.645 10 0 CHAERN CC(C)CC[C@@H](C)Nc1ccc(-n2ccnc2)nc1 ZINC000037040447 172910201 /nfs/dbraw/zinc/91/02/01/172910201.db2.gz CYFAVMQNDKJRAD-CYBMUJFWSA-N 0 0 258.369 3.504 10 0 CHAERN CNC(=O)c1ccc(Cl)c(NCc2ccc(C)s2)c1 ZINC000037069083 172931205 /nfs/dbraw/zinc/93/12/05/172931205.db2.gz QWYVEYPZNDYYHC-UHFFFAOYSA-N 0 0 294.807 3.682 10 0 CHAERN CCC(CC)CNc1cccc(Cl)c1-n1cncn1 ZINC000037085739 172943349 /nfs/dbraw/zinc/94/33/49/172943349.db2.gz WKQFVPUKJSWQJI-UHFFFAOYSA-N 0 0 278.787 3.769 10 0 CHAERN COC(=O)Nc1ccc(N[C@H](C)c2ccco2)cc1 ZINC000037092393 172947224 /nfs/dbraw/zinc/94/72/24/172947224.db2.gz QHTQHDOLLPKOGF-SNVBAGLBSA-N 0 0 260.293 3.631 10 0 CHAERN COC(=O)c1ccc(N[C@@H](C)c2ccco2)c(C)c1 ZINC000037099461 172954586 /nfs/dbraw/zinc/95/45/86/172954586.db2.gz VSPPIVXBJOUJPC-NSHDSACASA-N 0 0 259.305 3.548 10 0 CHAERN CC[C@H](Nc1cccnc1)c1ccc2c(c1)CCO2 ZINC000037187221 173017141 /nfs/dbraw/zinc/01/71/41/173017141.db2.gz NVARCVSLLDPOHL-HNNXBMFYSA-N 0 0 254.333 3.580 10 0 CHAERN Nc1cccnc1SCc1cccc2cccnc21 ZINC000037190989 173020157 /nfs/dbraw/zinc/02/01/57/173020157.db2.gz WFZSHTRHGAQVPU-UHFFFAOYSA-N 0 0 267.357 3.504 10 0 CHAERN Nc1ccc(SCc2ccccc2C(F)(F)F)cn1 ZINC000037191996 173020761 /nfs/dbraw/zinc/02/07/61/173020761.db2.gz BBMJOPTWNPIQJT-UHFFFAOYSA-N 0 0 284.306 3.975 10 0 CHAERN Cc1nn(C)c(Cl)c1CSc1ccc(C)cc1N ZINC000037192840 173022230 /nfs/dbraw/zinc/02/22/30/173022230.db2.gz TUVNGIGKZWKTHC-UHFFFAOYSA-N 0 0 281.812 3.565 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1ccccc1OC(F)F ZINC000037217542 173036276 /nfs/dbraw/zinc/03/62/76/173036276.db2.gz WRGDFURIQQIBIW-CMPLNLGQSA-N 0 0 271.307 3.658 10 0 CHAERN C[C@@H]1CCC[C@@H](n2c(=S)[nH]nc2-c2cccnc2)C1 ZINC000037256360 173066884 /nfs/dbraw/zinc/06/68/84/173066884.db2.gz KYQLXZFLYGJIPT-ZYHUDNBSSA-N 0 0 274.393 3.754 10 0 CHAERN S=c1[nH]nc(-c2cccs2)n1CC1CCCC1 ZINC000037258851 173068949 /nfs/dbraw/zinc/06/89/49/173068949.db2.gz YEQGBNOHJIEONB-UHFFFAOYSA-N 0 0 265.407 3.859 10 0 CHAERN Cn1cc(N[C@H]2CCOc3c(Cl)cc(Cl)cc32)cn1 ZINC000037260077 173070314 /nfs/dbraw/zinc/07/03/14/173070314.db2.gz FAIJZPSLGBUAGZ-LBPRGKRZSA-N 0 0 298.173 3.663 10 0 CHAERN COC(=O)c1ccccc1N[C@@H](C)c1ccc(C)o1 ZINC000037308262 173110984 /nfs/dbraw/zinc/11/09/84/173110984.db2.gz LXFUTQNYFKGHMY-NSHDSACASA-N 0 0 259.305 3.548 10 0 CHAERN C[C@@H]1Cc2ccccc2N1Cc1ccc2c(c1)CCN2 ZINC000037323418 173124003 /nfs/dbraw/zinc/12/40/03/173124003.db2.gz MMCYSNWUVGPOHV-CYBMUJFWSA-N 0 0 264.372 3.606 10 0 CHAERN CCN(Cc1ccc2c(c1)CCN2)c1ccccc1 ZINC000037323428 173124243 /nfs/dbraw/zinc/12/42/43/173124243.db2.gz KOQATFBTKNDHNW-UHFFFAOYSA-N 0 0 252.361 3.681 10 0 CHAERN Nc1cc(F)ccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000037330655 173131669 /nfs/dbraw/zinc/13/16/69/173131669.db2.gz IJNYBQRAYUAKCN-UHFFFAOYSA-N 0 0 289.697 3.778 10 0 CHAERN COc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CCC1 ZINC000037349368 173144463 /nfs/dbraw/zinc/14/44/63/173144463.db2.gz NSKLUFZPQLVGPC-UHFFFAOYSA-N 0 0 277.755 3.588 10 0 CHAERN C[C@@H]1CCC[C@@H](OCC(=O)c2c(F)cccc2F)C1 ZINC000037350395 173144586 /nfs/dbraw/zinc/14/45/86/173144586.db2.gz WXRLLQJKKHUZAN-GHMZBOCLSA-N 0 0 268.303 3.743 10 0 CHAERN CC[C@H](C)c1noc(N)c1-c1ccc(C)c(OC)c1 ZINC000037350909 173144911 /nfs/dbraw/zinc/14/49/11/173144911.db2.gz NRMHISCPNAJMOE-VIFPVBQESA-N 0 0 260.337 3.754 10 0 CHAERN CC(C)c1ccc(-c2c(N)n(C)nc2C2CC2)cc1 ZINC000037352239 173145274 /nfs/dbraw/zinc/14/52/74/173145274.db2.gz VPAMZKWGTJIYFE-UHFFFAOYSA-N 0 0 255.365 3.670 10 0 CHAERN CC(C)CCc1nn(C)c(N)c1-c1ccc(Cl)cc1 ZINC000037351604 173145305 /nfs/dbraw/zinc/14/53/05/173145305.db2.gz ZEOJHSUAYUCSDA-UHFFFAOYSA-N 0 0 277.799 3.911 10 0 CHAERN CCOc1ccc(C(=O)c2ccccc2F)cc1OCC ZINC000037354487 173146938 /nfs/dbraw/zinc/14/69/38/173146938.db2.gz GQEHUZYHVXPXKY-UHFFFAOYSA-N 0 0 288.318 3.854 10 0 CHAERN O=C(c1ccc2c(c1)CCCC2)c1ccccc1F ZINC000037357594 173147555 /nfs/dbraw/zinc/14/75/55/173147555.db2.gz MWSWXVQZQFRMMG-UHFFFAOYSA-N 0 0 254.304 3.936 10 0 CHAERN Nc1ccc(Sc2ccc(F)c(F)c2)c(F)c1 ZINC000037380741 173167205 /nfs/dbraw/zinc/16/72/05/173167205.db2.gz XUKFHWCYKLWNRK-UHFFFAOYSA-N 0 0 255.264 3.837 10 0 CHAERN CCCCc1ccc(NCC(=O)OC(C)(C)C)cc1 ZINC000037394010 173174315 /nfs/dbraw/zinc/17/43/15/173174315.db2.gz GPDLZZLGIMQHAN-UHFFFAOYSA-N 0 0 263.381 3.783 10 0 CHAERN Cc1ccc(Oc2cccc3cccnc32)c(N)c1 ZINC000037401592 173178062 /nfs/dbraw/zinc/17/80/62/173178062.db2.gz MGNFAJCHDFNTJH-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Clc1ccnc(-c2ccc(Br)cc2)n1 ZINC000037412475 173189270 /nfs/dbraw/zinc/18/92/70/173189270.db2.gz KBRDFIXSEIZKQG-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Fc1ccc(-n2c3cccc(F)c3[nH]c2=S)cc1 ZINC000037422659 173198612 /nfs/dbraw/zinc/19/86/12/173198612.db2.gz FSZNLSPBZUIUGY-UHFFFAOYSA-N 0 0 262.284 3.966 10 0 CHAERN CC(C)(C)c1cccc(OCc2csc(N)n2)c1 ZINC000037428856 173199880 /nfs/dbraw/zinc/19/98/80/173199880.db2.gz MQLYSEUBWRMWKW-UHFFFAOYSA-N 0 0 262.378 3.602 10 0 CHAERN O[C@]1(Cc2cccc(Cl)c2)CCc2ccccc2C1 ZINC000037531312 173253398 /nfs/dbraw/zinc/25/33/98/173253398.db2.gz RMLQHOLYHYSDOV-KRWDZBQOSA-N 0 0 272.775 3.803 10 0 CHAERN COc1ccccc1[C@H](O)Cc1cccc(Cl)c1 ZINC000037532048 173253546 /nfs/dbraw/zinc/25/35/46/173253546.db2.gz OLMUILLRKXKTDI-CQSZACIVSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@H](Cc1ccccc1F)c1ccc(Cl)cc1 ZINC000037532329 173253765 /nfs/dbraw/zinc/25/37/65/173253765.db2.gz JRASDMFWCYKUHX-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000037532688 173254038 /nfs/dbraw/zinc/25/40/38/173254038.db2.gz XYBDGABKGOSQTI-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN C[C@@H](Nc1ccn(C)n1)c1ccccc1C(F)(F)F ZINC000037560494 173270353 /nfs/dbraw/zinc/27/03/53/173270353.db2.gz LLMOFGZSXLXKCR-SECBINFHSA-N 0 0 269.270 3.612 10 0 CHAERN CCCCCc1nn(-c2ccccc2)c2cc(C)[nH]c(=O)c12 ZINC000037633233 173581831 /nfs/dbraw/zinc/58/18/31/173581831.db2.gz MUXPFCPDNVWPSD-UHFFFAOYSA-N 0 0 295.386 3.755 10 0 CHAERN O[C@@]1(c2cccnc2)CCCC[C@@H]1c1ccccc1 ZINC000037761227 173688439 /nfs/dbraw/zinc/68/84/39/173688439.db2.gz QBCRPPBVOYQLIM-IAGOWNOFSA-N 0 0 253.345 3.627 10 0 CHAERN CNC(=O)c1cc(N[C@@H](C)CCC(C)C)ccc1Cl ZINC000037778726 173709793 /nfs/dbraw/zinc/70/97/93/173709793.db2.gz AUNXPMTXMBZAON-NSHDSACASA-N 0 0 282.815 3.936 10 0 CHAERN COC(=O)[C@@](C)(CCC(C)C)Nc1ccc(C)cc1 ZINC000037953329 173895357 /nfs/dbraw/zinc/89/53/57/173895357.db2.gz DYNRXFZROBOLBX-MRXNPFEDSA-N 0 0 263.381 3.775 10 0 CHAERN CCCCC[C@H](Nc1ccc(C)cc1)C(=O)OCC ZINC000037953534 173895444 /nfs/dbraw/zinc/89/54/44/173895444.db2.gz UCIBUTFVRHAJQY-HNNXBMFYSA-N 0 0 263.381 3.919 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2C)CCCC[C@@H]1C ZINC000037954608 173895978 /nfs/dbraw/zinc/89/59/78/173895978.db2.gz NAXJZCANZFZTTI-BBRMVZONSA-N 0 0 261.365 3.529 10 0 CHAERN COC(=O)[C@@]1(Nc2ccccc2Cl)CCC[C@H](C)C1 ZINC000037955119 173896738 /nfs/dbraw/zinc/89/67/38/173896738.db2.gz KIFWJNIVTYCYHY-XHDPSFHLSA-N 0 0 281.783 3.874 10 0 CHAERN COC(=O)[C@@]1(Nc2ccccc2Cl)CCCC[C@H]1C ZINC000037955114 173896874 /nfs/dbraw/zinc/89/68/74/173896874.db2.gz UWBFUOQKUKBRGA-IAQYHMDHSA-N 0 0 281.783 3.874 10 0 CHAERN COC(=O)[C@](C)(CCC(C)C)Nc1ccc(F)cc1 ZINC000037956037 173897287 /nfs/dbraw/zinc/89/72/87/173897287.db2.gz UADYTNWIIWLFJQ-HNNXBMFYSA-N 0 0 267.344 3.606 10 0 CHAERN COC(=O)C1(Nc2ccc(F)cc2)CCCCCC1 ZINC000037956059 173897478 /nfs/dbraw/zinc/89/74/78/173897478.db2.gz OWZMCIUBQRNAGN-UHFFFAOYSA-N 0 0 265.328 3.504 10 0 CHAERN CCCCCC[C@H](Nc1ccc(F)cc1)C(=O)OC ZINC000037956112 173897555 /nfs/dbraw/zinc/89/75/55/173897555.db2.gz LUHNELVKIMPUTF-AWEZNQCLSA-N 0 0 267.344 3.750 10 0 CHAERN CCOC(=O)C1(Nc2ccccc2F)CCCCC1 ZINC000037963141 173906304 /nfs/dbraw/zinc/90/63/04/173906304.db2.gz UGOWILONCARHSE-UHFFFAOYSA-N 0 0 265.328 3.504 10 0 CHAERN COC(=O)[C@@](C)(NC1CCCCC1)c1ccccc1Cl ZINC000037971903 173924005 /nfs/dbraw/zinc/92/40/05/173924005.db2.gz FPYJAVGYDAYGDP-INIZCTEOSA-N 0 0 295.810 3.651 10 0 CHAERN c1n[nH]cc1NCc1cc(-c2ccccc2)cs1 ZINC000038030793 174023999 /nfs/dbraw/zinc/02/39/99/174023999.db2.gz CJGCQVJPVXWOGD-UHFFFAOYSA-N 0 0 255.346 3.750 10 0 CHAERN Nc1ccc(Cl)c(Nc2nc3ccccc3o2)c1 ZINC000038033929 174032051 /nfs/dbraw/zinc/03/20/51/174032051.db2.gz ICAHCLLEWKJLJO-UHFFFAOYSA-N 0 0 259.696 3.807 10 0 CHAERN COc1cccc(Sc2c(F)cc(N)cc2F)c1 ZINC000038040404 174040304 /nfs/dbraw/zinc/04/03/04/174040304.db2.gz SPNATJWUUFPSLL-UHFFFAOYSA-N 0 0 267.300 3.707 10 0 CHAERN Cc1cc(Cl)c(COc2ccccc2N)c(Cl)n1 ZINC000038055953 174067029 /nfs/dbraw/zinc/06/70/29/174067029.db2.gz FGSAACIBJXIMOW-UHFFFAOYSA-N 0 0 283.158 3.858 10 0 CHAERN Cc1ccc(COc2cccc3c2NCCC3)cc1 ZINC000038056315 174067613 /nfs/dbraw/zinc/06/76/13/174067613.db2.gz NQZRCKWLVDZTHN-UHFFFAOYSA-N 0 0 253.345 3.932 10 0 CHAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000038066410 174077350 /nfs/dbraw/zinc/07/73/50/174077350.db2.gz JXXDMKJCTWRWLX-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000038065997 174077750 /nfs/dbraw/zinc/07/77/50/174077750.db2.gz XXUNPHBZTWMLCH-WRWORJQWSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](C)N[C@@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067031 174078427 /nfs/dbraw/zinc/07/84/27/174078427.db2.gz UMEKYCFCHRICDJ-XHDPSFHLSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@H](C)N[C@@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000038066823 174078614 /nfs/dbraw/zinc/07/86/14/174078614.db2.gz FDHVXTUHOQCVHV-QPUJVOFHSA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@](C)(N[C@H](C)CC)c1ccccc1Cl ZINC000038067678 174079038 /nfs/dbraw/zinc/07/90/38/174079038.db2.gz VRGNEMRZDOVDIH-IAQYHMDHSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@H](C)N[C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000038067199 174079418 /nfs/dbraw/zinc/07/94/18/174079418.db2.gz IYBBUJKNQXJJQR-UFBFGSQYSA-N 0 0 290.190 3.596 10 0 CHAERN O=Cc1cc(-c2c(F)cc(F)cc2F)ccc1F ZINC000038071801 174082767 /nfs/dbraw/zinc/08/27/67/174082767.db2.gz OQSVOKPCGYGSJY-UHFFFAOYSA-N 0 0 254.182 3.723 10 0 CHAERN O[C@@]1(c2ccccc2Cl)CCCc2ccccc21 ZINC000038078271 174087844 /nfs/dbraw/zinc/08/78/44/174087844.db2.gz HYAKXGGBUDNTIF-INIZCTEOSA-N 0 0 258.748 3.912 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000038078414 174088978 /nfs/dbraw/zinc/08/89/78/174088978.db2.gz XYEYUQGPIMUJJE-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN CC(C)(C)c1ccc(C(=O)Cc2ccncc2)cc1 ZINC000038919786 174159315 /nfs/dbraw/zinc/15/93/15/174159315.db2.gz YQTNRVGEVNERPY-UHFFFAOYSA-N 0 0 253.345 3.805 10 0 CHAERN CCOC(=O)c1ccccc1Nc1ccc(OC)cc1 ZINC000039645864 174171479 /nfs/dbraw/zinc/17/14/79/174171479.db2.gz PGEAAYPGBFRMCG-UHFFFAOYSA-N 0 0 271.316 3.616 10 0 CHAERN O=Cc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000039927585 174174847 /nfs/dbraw/zinc/17/48/47/174174847.db2.gz MEBVHNPIEMMWIU-UHFFFAOYSA-N 0 0 252.100 3.868 10 0 CHAERN O=Cc1cncc(-c2ccccc2C(F)(F)F)c1 ZINC000039927591 174175062 /nfs/dbraw/zinc/17/50/62/174175062.db2.gz HQPKBXKVTDROOF-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN CC(=O)c1cnc2c(Cl)ccc(C(F)(F)F)c2c1O ZINC000040176329 174201403 /nfs/dbraw/zinc/20/14/03/174201403.db2.gz KZYMVXAFFOWRQC-UHFFFAOYSA-N 0 0 289.640 3.815 10 0 CHAERN COc1ccc(CC[C@@H](O)c2ccc(C)cc2)cc1 ZINC000040244309 174214166 /nfs/dbraw/zinc/21/41/66/174214166.db2.gz WSRJYAGYAHRQLQ-QGZVFWFLSA-N 0 0 256.345 3.670 10 0 CHAERN Cc1ccc(Cn2c3cc(C)c(C)cc3nc2CO)cc1 ZINC000040308832 174229854 /nfs/dbraw/zinc/22/98/54/174229854.db2.gz PRSTYMVSMDUYRL-UHFFFAOYSA-N 0 0 280.371 3.502 10 0 CHAERN Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000040311880 174230778 /nfs/dbraw/zinc/23/07/78/174230778.db2.gz VUEMMXVENAMLSV-UHFFFAOYSA-N 0 0 285.734 3.777 10 0 CHAERN CC(C)c1ccc([C@@H](O)COc2cccc(N)c2)cc1 ZINC000040352167 174245092 /nfs/dbraw/zinc/24/50/92/174245092.db2.gz DFGXVUJZLVZGIF-KRWDZBQOSA-N 0 0 271.360 3.505 10 0 CHAERN CC(C)(C)c1ccc([C@H](O)COc2ccccc2N)cc1 ZINC000040352247 174245104 /nfs/dbraw/zinc/24/51/04/174245104.db2.gz HMBWXANKJSPEMC-MRXNPFEDSA-N 0 0 285.387 3.679 10 0 CHAERN Cc1ccc(-c2nc3ccc(Cl)cc3n2CCO)cc1 ZINC000040401046 174253398 /nfs/dbraw/zinc/25/33/98/174253398.db2.gz XFRXFKMYRKOPLP-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN Cc1ccc(-c2nc3cc(Cl)ccc3n2CCO)cc1 ZINC000040401048 174253441 /nfs/dbraw/zinc/25/34/41/174253441.db2.gz NRYCBCZFIUAUEJ-UHFFFAOYSA-N 0 0 286.762 3.657 10 0 CHAERN OCCCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040402375 174253849 /nfs/dbraw/zinc/25/38/49/174253849.db2.gz ZSJDWBWUMVZAHC-UHFFFAOYSA-N 0 0 286.762 3.739 10 0 CHAERN Cc1cc(C)cc(Oc2ncnc(NC3CCCC3)c2N)c1 ZINC000040681614 174375066 /nfs/dbraw/zinc/37/50/66/174375066.db2.gz QWQNFBFOMIZZCU-UHFFFAOYSA-N 0 0 298.390 3.822 10 0 CHAERN O=C(c1cccnc1Cl)N(Cc1ccsc1)C1CC1 ZINC000040690929 174377276 /nfs/dbraw/zinc/37/72/76/174377276.db2.gz YRLMVGVTNLRRPW-UHFFFAOYSA-N 0 0 292.791 3.601 10 0 CHAERN Cc1cc(Oc2ncnc(NC(C)C)c2N)ccc1Cl ZINC000040708296 174379920 /nfs/dbraw/zinc/37/99/20/174379920.db2.gz NIQOLHSJNJZDTG-UHFFFAOYSA-N 0 0 292.770 3.633 10 0 CHAERN CCCNc1ncnc(Oc2ccc(C(C)C)cc2)c1N ZINC000040707631 174380168 /nfs/dbraw/zinc/38/01/68/174380168.db2.gz YFRIYGNTMVHFAD-UHFFFAOYSA-N 0 0 286.379 3.796 10 0 CHAERN CN(c1ccccc1)c1ncnc(OC2CCCCC2)c1N ZINC000040757946 174396716 /nfs/dbraw/zinc/39/67/16/174396716.db2.gz NVDCRIFWINXYPR-UHFFFAOYSA-N 0 0 298.390 3.538 10 0 CHAERN COc1ccc(C(=O)Nc2ccnc3c(F)cccc23)cc1 ZINC000041058121 174465827 /nfs/dbraw/zinc/46/58/27/174465827.db2.gz KPDGHEDETBZPEG-UHFFFAOYSA-N 0 0 296.301 3.635 10 0 CHAERN CCOc1ccccc1[C@H](O)Cc1ccc(F)cc1 ZINC000041347156 174528698 /nfs/dbraw/zinc/52/86/98/174528698.db2.gz UPTQSSHWWMWTFT-OAHLLOKOSA-N 0 0 260.308 3.501 10 0 CHAERN COc1ccccc1NCCOc1ccc(C)c(C)c1 ZINC000041404145 174546526 /nfs/dbraw/zinc/54/65/26/174546526.db2.gz SFXYFNSKVOKJFU-UHFFFAOYSA-N 0 0 271.360 3.803 10 0 CHAERN OC[C@H](Cc1cccs1)c1cccc(Br)c1 ZINC000041496526 174562216 /nfs/dbraw/zinc/56/22/16/174562216.db2.gz GWWIMWRHVAMASR-NSHDSACASA-N 0 0 297.217 3.829 10 0 CHAERN Fc1cccc(F)c1NCCCOc1ccccc1 ZINC000041579837 174570447 /nfs/dbraw/zinc/57/04/47/174570447.db2.gz PDFHNWLENONDGR-UHFFFAOYSA-N 0 0 263.287 3.846 10 0 CHAERN Cc1cc(C(=O)CN(CC(C)C)C2CC2)c(C)s1 ZINC000042558607 174794924 /nfs/dbraw/zinc/79/49/24/174794924.db2.gz KKTJQRUQINSBHA-UHFFFAOYSA-N 0 0 265.422 3.668 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1c(N)cccc1Cl ZINC000042587050 174809174 /nfs/dbraw/zinc/80/91/74/174809174.db2.gz UFEHGCDIAGSCFD-VIFPVBQESA-N 0 0 250.729 3.558 10 0 CHAERN Nc1c(F)cccc1Nc1ccc(Cl)cc1F ZINC000042587493 174809914 /nfs/dbraw/zinc/80/99/14/174809914.db2.gz PZJNXPYOSPJZNQ-UHFFFAOYSA-N 0 0 254.667 3.944 10 0 CHAERN Cc1cc(C(=O)CN(CC(F)(F)F)C(C)C)c(C)s1 ZINC000042776743 174874527 /nfs/dbraw/zinc/87/45/27/174874527.db2.gz NTIILXLEVQIKHD-UHFFFAOYSA-N 0 0 293.354 3.820 10 0 CHAERN COc1ccc(NCc2cccc(C)c2C)cc1O ZINC000043314099 175004158 /nfs/dbraw/zinc/00/41/58/175004158.db2.gz IXPXQGMESQRDDR-UHFFFAOYSA-N 0 0 257.333 3.630 10 0 CHAERN Oc1cccc(NCc2ccc(Cl)c(F)c2)c1 ZINC000043388597 175033004 /nfs/dbraw/zinc/03/30/04/175033004.db2.gz KRTBXPVZRAWTRZ-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1ccc(CNc2ccc(F)cc2)cc1Cl ZINC000043476866 175054591 /nfs/dbraw/zinc/05/45/91/175054591.db2.gz VUNSGDUABZCSAH-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1cccc(OCc2ccc(C(F)(F)F)cc2)c1 ZINC000043512101 175060600 /nfs/dbraw/zinc/06/06/00/175060600.db2.gz HUTFGEBWMPMPEY-UHFFFAOYSA-N 0 0 268.234 3.990 10 0 CHAERN CCc1ccc([C@H](CC)n2nc(C)c(Cl)c2N)cc1 ZINC000043667891 175086829 /nfs/dbraw/zinc/08/68/29/175086829.db2.gz RAEMTWGAEDJNFU-ZDUSSCGKSA-N 0 0 277.799 3.989 10 0 CHAERN OCc1ccccc1OCc1cc(Br)cs1 ZINC000043687828 175094926 /nfs/dbraw/zinc/09/49/26/175094926.db2.gz ZVTBDULXERUCBY-UHFFFAOYSA-N 0 0 299.189 3.582 10 0 CHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccccc1N ZINC000044135419 175145540 /nfs/dbraw/zinc/14/55/40/175145540.db2.gz ZIHRQZAEHOXHQL-CQSZACIVSA-N 0 0 276.380 3.731 10 0 CHAERN Cc1cc(OCC(=O)c2cccs2)ccc1Cl ZINC000048101442 175419928 /nfs/dbraw/zinc/41/99/28/175419928.db2.gz LDPMQCQESPIJGC-UHFFFAOYSA-N 0 0 266.749 3.972 10 0 CHAERN CSc1nc2c3cccnc3sc2c(Cl)n1 ZINC000051951611 175527887 /nfs/dbraw/zinc/52/78/87/175527887.db2.gz YGSFMBYLDAVZQB-UHFFFAOYSA-N 0 0 267.766 3.615 10 0 CHAERN CCC[C@H](C(=O)N1CCS[C@@H](C)C1)c1ccccc1 ZINC000171580132 335071756 /nfs/dbraw/zinc/07/17/56/335071756.db2.gz QEGYCKDYQFVMLN-ZFWWWQNUSA-N 0 0 277.433 3.534 10 0 CHAERN Cn1cc(C=O)c2c1cccc2OCc1ccccc1 ZINC000059731232 175633378 /nfs/dbraw/zinc/63/33/78/175633378.db2.gz WHUYRJAYTFBLLN-UHFFFAOYSA-N 0 0 265.312 3.570 10 0 CHAERN C[C@@H](Oc1cccc(Cl)c1)c1nc2cc[nH]cc-2n1 ZINC000071166846 176049504 /nfs/dbraw/zinc/04/95/04/176049504.db2.gz ZLLIFJOHQYOTNQ-SECBINFHSA-N 0 0 273.723 3.751 10 0 CHAERN O=Cc1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071167920 176049542 /nfs/dbraw/zinc/04/95/42/176049542.db2.gz GPZXGIYWIFDZGE-UHFFFAOYSA-N 0 0 252.191 3.709 10 0 CHAERN Cc1c(C)c(Nc2ccc(F)c(F)c2F)nnc1Cl ZINC000071171019 176051299 /nfs/dbraw/zinc/05/12/99/176051299.db2.gz GFHMFCMZNVTYGA-UHFFFAOYSA-N 0 0 287.672 3.908 10 0 CHAERN C[C@H](Cc1cccs1)Nc1ccc(F)cc1N ZINC000071269935 176103620 /nfs/dbraw/zinc/10/36/20/176103620.db2.gz ARTKJSNYBFSBHU-SECBINFHSA-N 0 0 250.342 3.513 10 0 CHAERN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000071380943 176144744 /nfs/dbraw/zinc/14/47/44/176144744.db2.gz SUEGFIMXQAPNGX-ZETCQYMHSA-N 0 0 285.752 3.544 10 0 CHAERN Cc1ccc2oc([C@H](N)c3cccc(F)c3)cc2c1 ZINC000071406787 176156402 /nfs/dbraw/zinc/15/64/02/176156402.db2.gz MXHJVXWTHAWDNY-MRXNPFEDSA-N 0 0 255.292 3.928 10 0 CHAERN COc1ccc2nc(Cl)ccc2c1Br ZINC000072188051 176335768 /nfs/dbraw/zinc/33/57/68/176335768.db2.gz ZYURLHXGBCKVLU-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN N[C@H](c1ccc(Cc2ccccc2)cc1)C(F)(F)F ZINC000072195631 176337556 /nfs/dbraw/zinc/33/75/56/176337556.db2.gz ROLIVWKCDFLXIS-CQSZACIVSA-N 0 0 265.278 3.840 10 0 CHAERN Clc1ccc(-c2cc(Br)ccn2)nc1 ZINC000072204255 176342104 /nfs/dbraw/zinc/34/21/04/176342104.db2.gz ZKHWDFBYVDJPMM-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1cc2c(nc(-c3cccnc3)nc2N2CCCC2)s1 ZINC000072260790 176351880 /nfs/dbraw/zinc/35/18/80/176351880.db2.gz RIUYXDUYOHOQBW-UHFFFAOYSA-N 0 0 296.399 3.662 10 0 CHAERN Oc1ccc(-c2ccnc3[nH]ccc32)cc1-c1ccno1 ZINC000072410559 176398389 /nfs/dbraw/zinc/39/83/89/176398389.db2.gz HCXAYTPVHONJLQ-UHFFFAOYSA-N 0 0 277.283 3.591 10 0 CHAERN COc1ccc2c(c1)[nH]c(=S)n2Cc1ccc(F)cc1 ZINC000075954362 176844554 /nfs/dbraw/zinc/84/45/54/176844554.db2.gz GFBMCPJGJOKAFX-UHFFFAOYSA-N 0 0 288.347 3.895 10 0 CHAERN Brc1cnc2ccc(-c3ccccc3)cn12 ZINC000076914381 177132409 /nfs/dbraw/zinc/13/24/09/177132409.db2.gz IVHUNVANKKDGSA-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN O=C(c1csc(C2CCCCC2)n1)N1C[C@H]2CCC[C@H]21 ZINC000334578428 224943449 /nfs/dbraw/zinc/94/34/49/224943449.db2.gz JZPBVXNDEWGUMI-TZMCWYRMSA-N 0 0 290.432 3.815 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CCC[C@@H]32)c1C ZINC000334707098 225281999 /nfs/dbraw/zinc/28/19/99/225281999.db2.gz BZOGZRJDETWBPT-YPMHNXCESA-N 0 0 278.783 3.973 10 0 CHAERN FC1(F)CCC[C@@H](c2nc([C@@H]3CC34CC4)no2)C1 ZINC000334978176 225382315 /nfs/dbraw/zinc/38/23/15/225382315.db2.gz ZBGHTRCJHMYZNH-BDAKNGLRSA-N 0 0 254.280 3.630 10 0 CHAERN O=C1CC[C@@H](c2nc(C(C3CCC3)C3CCC3)no2)CN1 ZINC000329022295 227261368 /nfs/dbraw/zinc/26/13/68/227261368.db2.gz TXKINAGJRDPKBA-GFCCVEGCSA-N 0 0 289.379 3.587 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@@H]3CCCC(=O)N3)n2)C[C@@H](C)C1 ZINC000329598804 227631090 /nfs/dbraw/zinc/63/10/90/227631090.db2.gz PSRFPNJHOLIOKD-QCNOEVLYSA-N 0 0 277.368 3.791 10 0 CHAERN Cc1cc(Cl)ccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000336183745 228208425 /nfs/dbraw/zinc/20/84/25/228208425.db2.gz PDBJPHBUWZTEPV-GWCFXTLKSA-N 0 0 264.756 3.665 10 0 CHAERN Cc1cnc(C2CCN(C(=O)[C@@H]3CCC[C@@H]3C)CC2)s1 ZINC000336055778 228182826 /nfs/dbraw/zinc/18/28/26/228182826.db2.gz YPCKUAIIFIBASU-SMDDNHRTSA-N 0 0 292.448 3.594 10 0 CHAERN C[C@@H]1C[C@H](c2nc(C(C)(C)C3CCC3)no2)CCC1=O ZINC000333060361 228189130 /nfs/dbraw/zinc/18/91/30/228189130.db2.gz DQMTVKYPLURLSW-GHMZBOCLSA-N 0 0 276.380 3.620 10 0 CHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@@H]2CCC[C@H]21 ZINC000333348513 228198110 /nfs/dbraw/zinc/19/81/10/228198110.db2.gz RBPNVRCAEKAFLI-SMDDNHRTSA-N 0 0 297.358 3.721 10 0 CHAERN Cc1ccncc1-c1noc(C2=CC[C@@H](C)CC2)n1 ZINC000333822853 228216017 /nfs/dbraw/zinc/21/60/17/228216017.db2.gz KEMQAYQWXLRIGX-SNVBAGLBSA-N 0 0 255.321 3.643 10 0 CHAERN c1cn(-c2cccc(N[C@H]3CCc4ccccc43)c2)cn1 ZINC000036940081 260054401 /nfs/dbraw/zinc/05/44/01/260054401.db2.gz WAYAZTQMGHACNU-SFHVURJKSA-N 0 0 275.355 3.972 10 0 CHAERN CCn1c(C)nnc1COc1cc(C(C)C)ccc1C ZINC000180314494 260097833 /nfs/dbraw/zinc/09/78/33/260097833.db2.gz VJEXMVZWEREGLC-UHFFFAOYSA-N 0 0 273.380 3.617 10 0 CHAERN CC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCCCC1 ZINC000180490852 260103988 /nfs/dbraw/zinc/10/39/88/260103988.db2.gz WCOVDDSARIBVNN-GJZGRUSLSA-N 0 0 279.424 3.517 10 0 CHAERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(N)c1 ZINC000038101363 260126037 /nfs/dbraw/zinc/12/60/37/260126037.db2.gz PAXDLBCCAWXZPC-NSHDSACASA-N 0 0 288.778 3.755 10 0 CHAERN CCOc1ccccc1[C@@H](C)N[C@H](C)c1nccs1 ZINC000080265313 260179181 /nfs/dbraw/zinc/17/91/81/260179181.db2.gz ADQMPPQOBIMWKL-VXGBXAGGSA-N 0 0 276.405 3.954 10 0 CHAERN CCCOc1cccc(N[C@H](C)c2cn(C)nc2C)c1 ZINC000087407911 260213811 /nfs/dbraw/zinc/21/38/11/260213811.db2.gz QMMJLHDFLWMNEA-GFCCVEGCSA-N 0 0 273.380 3.690 10 0 CHAERN FC(F)(F)c1cc(N[C@@H]2COc3ccccc32)ccn1 ZINC000312932853 260222865 /nfs/dbraw/zinc/22/28/65/260222865.db2.gz YLARXMNELNQFSQ-LLVKDONJSA-N 0 0 280.249 3.646 10 0 CHAERN CC1CCC(CNc2ccccc2SCC(N)=O)CC1 ZINC000089576001 260237693 /nfs/dbraw/zinc/23/76/93/260237693.db2.gz PQWMRSQQNJAJCF-UHFFFAOYSA-N 0 0 292.448 3.502 10 0 CHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc2ccccc2o1 ZINC000090226106 260456964 /nfs/dbraw/zinc/45/69/64/260456964.db2.gz KVJYKRYLIYQZDV-BXUZGUMPSA-N 0 0 296.374 3.518 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)c1cccc(Cl)c1 ZINC000133275715 260517820 /nfs/dbraw/zinc/51/78/20/260517820.db2.gz TXRADLVFAIMUJH-UHFFFAOYSA-N 0 0 286.762 3.515 10 0 CHAERN CC[C@H](NC(=O)c1ccc2c(c1)CCN2)c1cccs1 ZINC000049532172 260663429 /nfs/dbraw/zinc/66/34/29/260663429.db2.gz JOYHTANPHYSXLL-ZDUSSCGKSA-N 0 0 286.400 3.597 10 0 CHAERN C[C@H](Nc1cccc(Cn2cncn2)c1)c1ccsc1 ZINC000050344059 260688273 /nfs/dbraw/zinc/68/82/73/260688273.db2.gz VGJZYGDEQXVDQV-LBPRGKRZSA-N 0 0 284.388 3.561 10 0 CHAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CCN2 ZINC000169004115 260914461 /nfs/dbraw/zinc/91/44/61/260914461.db2.gz RZVVCKXXRABUQQ-NVXWUHKLSA-N 0 0 286.419 3.599 10 0 CHAERN CCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151716883 261054368 /nfs/dbraw/zinc/05/43/68/261054368.db2.gz OCTFWQNNROKGBC-AWEZNQCLSA-N 0 0 273.376 3.739 10 0 CHAERN CSc1cc(C(=O)N[C@H]2C[C@H]2C)c(Cl)cc1Cl ZINC000154051842 261087389 /nfs/dbraw/zinc/08/73/89/261087389.db2.gz FGGREKNTBGTPKN-LDWIPMOCSA-N 0 0 290.215 3.854 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CO[C@@H](C)CC)o1 ZINC000155197925 261099507 /nfs/dbraw/zinc/09/95/07/261099507.db2.gz UMAZOFVMZZZQRI-DZGCQCFKSA-N 0 0 293.407 3.711 10 0 CHAERN O=C(Nc1ccsc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000157228581 261142305 /nfs/dbraw/zinc/14/23/05/261142305.db2.gz QPBCXYWRJDRQCP-RKDXNWHRSA-N 0 0 292.326 3.991 10 0 CHAERN Cc1ccc([C@@H](C)NCc2nc(C(F)(F)F)cs2)o1 ZINC000157388749 261145563 /nfs/dbraw/zinc/14/55/63/261145563.db2.gz UFSYCTQOQYALPJ-MRVPVSSYSA-N 0 0 290.310 3.914 10 0 CHAERN COC(=O)c1cnc(/C=C/c2ccc(F)cc2C)s1 ZINC000102598865 261267664 /nfs/dbraw/zinc/26/76/64/261267664.db2.gz LEYXGGKWZUHSTO-GQCTYLIASA-N 0 0 277.320 3.548 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)c2ccoc2)c2ccccc21 ZINC000162776114 261293703 /nfs/dbraw/zinc/29/37/03/261293703.db2.gz TUOQENIMBDXKIF-ABAIWWIYSA-N 0 0 255.317 3.648 10 0 CHAERN Cc1ccc([C@H](C)Nc2ncnc3oc(C)c(C)c32)o1 ZINC000162939515 261299690 /nfs/dbraw/zinc/29/96/90/261299690.db2.gz ZUUNJMDITQGJMS-JTQLQIEISA-N 0 0 271.320 3.914 10 0 CHAERN CCCOc1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105606645 261311961 /nfs/dbraw/zinc/31/19/61/261311961.db2.gz KGSWJXLUUSQIQO-UHFFFAOYSA-N 0 0 299.330 3.731 10 0 CHAERN Cc1ccc(C)c(N(C)Cc2nc(-c3ccoc3)no2)c1 ZINC000105608302 261312241 /nfs/dbraw/zinc/31/22/41/261312241.db2.gz JPBAOUSCWDIXCK-UHFFFAOYSA-N 0 0 283.331 3.583 10 0 CHAERN CCN(Cc1nc(-c2ccoc2)no1)c1ccccc1C ZINC000105608276 261312650 /nfs/dbraw/zinc/31/26/50/261312650.db2.gz WVKSPYLUKJFANC-UHFFFAOYSA-N 0 0 283.331 3.665 10 0 CHAERN CCC(CC)SCc1nc(-c2ccoc2)no1 ZINC000105573623 261313552 /nfs/dbraw/zinc/31/35/52/261313552.db2.gz TYLDKYYVCSHTPD-UHFFFAOYSA-N 0 0 252.339 3.751 10 0 CHAERN Cc1cccc([C@H](C)SCc2nnnn2C(C)C)c1 ZINC000176905459 261315844 /nfs/dbraw/zinc/31/58/44/261315844.db2.gz JXOUGLKQLAJTIE-LBPRGKRZSA-N 0 0 276.409 3.557 10 0 CHAERN CC(C)n1nnnc1CS[C@H](C)c1ccc(F)cc1F ZINC000176900166 261317909 /nfs/dbraw/zinc/31/79/09/261317909.db2.gz RBBPPSQWMKOKSU-SECBINFHSA-N 0 0 298.362 3.527 10 0 CHAERN CCc1ccccc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000178321995 261385923 /nfs/dbraw/zinc/38/59/23/261385923.db2.gz OCSVDAIPGAEUJI-OAHLLOKOSA-N 0 0 297.398 3.584 10 0 CHAERN C[C@@H](NC(=O)N1CCCC1(C)C)c1ccc(F)c(F)c1 ZINC000171094635 261457313 /nfs/dbraw/zinc/45/73/13/261457313.db2.gz HJNWZNBVKWULOT-SNVBAGLBSA-N 0 0 282.334 3.610 10 0 CHAERN CCc1nnc(CS[C@H]2CCCc3ccccc32)n1C ZINC000171412894 261465074 /nfs/dbraw/zinc/46/50/74/261465074.db2.gz QINSVDSITAKZJV-AWEZNQCLSA-N 0 0 287.432 3.688 10 0 CHAERN CSCCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000175071515 261594700 /nfs/dbraw/zinc/59/47/00/261594700.db2.gz NVIZSOUDRYVPKI-CYBMUJFWSA-N 0 0 296.436 3.578 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)c2ncccc2F)CC(C)(C)C1 ZINC000181127746 261886201 /nfs/dbraw/zinc/88/62/01/261886201.db2.gz SWMXQUFGNKKYRJ-NEPJUHHUSA-N 0 0 278.371 3.646 10 0 CHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181266924 261891726 /nfs/dbraw/zinc/89/17/26/261891726.db2.gz IZKSKJJXUKVEQC-ZYHUDNBSSA-N 0 0 278.396 3.946 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccccc2CC)C12CCOCC2 ZINC000186444510 262094300 /nfs/dbraw/zinc/09/43/00/262094300.db2.gz XNKMOCSLKCAPCL-IAGOWNOFSA-N 0 0 289.419 3.635 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cc(F)ccc2C)C12CCOCC2 ZINC000186476043 262094690 /nfs/dbraw/zinc/09/46/90/262094690.db2.gz AJPQJRBISGQFHU-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000188420167 262295736 /nfs/dbraw/zinc/29/57/36/262295736.db2.gz SMBYGMLQPCBMIC-JKSUJKDBSA-N 0 0 293.451 3.765 10 0 CHAERN Cc1c(CNc2nc3cc(Cl)ccc3s2)cnn1C ZINC000225941481 262311049 /nfs/dbraw/zinc/31/10/49/262311049.db2.gz NZLBXUTXOWCUNQ-UHFFFAOYSA-N 0 0 292.795 3.604 10 0 CHAERN C[C@@H](NCc1ccc(-c2ccccc2)cc1)c1ncc[nH]1 ZINC000138977278 262710085 /nfs/dbraw/zinc/71/00/85/262710085.db2.gz GOWGKBABCSJTOK-CQSZACIVSA-N 0 0 277.371 3.928 10 0 CHAERN CC(C)[C@H](C)C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000171938830 335085759 /nfs/dbraw/zinc/08/57/59/335085759.db2.gz URZHKMIIECTDED-GOEBONIOSA-N 0 0 289.419 3.657 10 0 CHAERN Clc1cc(N[C@H]2CCOc3ccccc32)ccn1 ZINC000129829657 264339775 /nfs/dbraw/zinc/33/97/75/264339775.db2.gz YUQKRGFYGYGZJC-LBPRGKRZSA-N 0 0 260.724 3.671 10 0 CHAERN Clc1cnccc1N[C@@H]1CCOc2ccccc21 ZINC000094266934 265233249 /nfs/dbraw/zinc/23/32/49/265233249.db2.gz HMWKYBTVPGPSMA-GFCCVEGCSA-N 0 0 260.724 3.671 10 0 CHAERN CC1(C)CCCC[C@@H]1NC(=O)c1cccc2c1CCCN2 ZINC000094330059 265235366 /nfs/dbraw/zinc/23/53/66/265235366.db2.gz IBTJUEVEMONDIX-INIZCTEOSA-N 0 0 286.419 3.743 10 0 CHAERN C[C@H](Nc1ncnc2c1CCCCC2)c1cccs1 ZINC000094887522 265270957 /nfs/dbraw/zinc/27/09/57/265270957.db2.gz QMCFANPHAMDPFD-NSHDSACASA-N 0 0 273.405 3.980 10 0 CHAERN Cc1cnc2c(N)c(Br)ccc2c1Cl ZINC000521400086 265434023 /nfs/dbraw/zinc/43/40/23/265434023.db2.gz AFINCNAXQQGCBV-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccncc1 ZINC000114517008 266392628 /nfs/dbraw/zinc/39/26/28/266392628.db2.gz FSJSGNHJOREXFE-QAPCUYQASA-N 0 0 299.418 3.675 10 0 CHAERN COc1ccccc1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000114995511 267028308 /nfs/dbraw/zinc/02/83/08/267028308.db2.gz JPXFSRRKOWSGCG-UHFFFAOYSA-N 0 0 285.318 3.505 10 0 CHAERN O=C(C1CCCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116048438 267121129 /nfs/dbraw/zinc/12/11/29/267121129.db2.gz ZPYDURHYVDTGQR-CQSZACIVSA-N 0 0 261.365 3.914 10 0 CHAERN Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116047303 267121346 /nfs/dbraw/zinc/12/13/46/267121346.db2.gz PGSSSRCZNMCCAZ-CYBMUJFWSA-N 0 0 275.373 3.556 10 0 CHAERN Cc1cccc(C)c1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117567771 267215870 /nfs/dbraw/zinc/21/58/70/267215870.db2.gz QIAQLCDEQKBMHD-GUYCJALGSA-N 0 0 281.355 3.807 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)c1 ZINC000117646152 267217930 /nfs/dbraw/zinc/21/79/30/267217930.db2.gz LAYUVZGNRNPVJL-SJKOYZFVSA-N 0 0 297.354 3.507 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Cc2cnc3ccccc3c2)o1 ZINC000118762497 267268239 /nfs/dbraw/zinc/26/82/39/267268239.db2.gz XCPRSWDWLUXBDW-ZDUSSCGKSA-N 0 0 294.354 3.556 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1C[C@H]2CCCCC[C@H]21 ZINC000370241782 267302674 /nfs/dbraw/zinc/30/26/74/267302674.db2.gz DMWMHOUTVCHJNE-NOZJJQNGSA-N 0 0 283.293 3.509 10 0 CHAERN Cc1ccc([C@@H](C)NCc2csc(Cl)n2)o1 ZINC000289961650 328124631 /nfs/dbraw/zinc/12/46/31/328124631.db2.gz IPZRLNHLEKMDHK-MRVPVSSYSA-N 0 0 256.758 3.549 10 0 CHAERN CCc1cc(Br)ccc1NC(=O)C1CC(C)C1 ZINC000531923005 328313210 /nfs/dbraw/zinc/31/32/10/328313210.db2.gz KZTLUWAKDTZJRX-UHFFFAOYSA-N 0 0 296.208 3.996 10 0 CHAERN COCCCCNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000049361821 328355806 /nfs/dbraw/zinc/35/58/06/328355806.db2.gz YMVSZFWOZKFKQR-CQSZACIVSA-N 0 0 292.423 3.597 10 0 CHAERN Fc1ccccc1NCc1ccnc2ccccc12 ZINC000111753697 328376909 /nfs/dbraw/zinc/37/69/09/328376909.db2.gz HYQUNYQLZIVDGW-UHFFFAOYSA-N 0 0 252.292 3.986 10 0 CHAERN COc1ccccc1NCc1ccnc2ccccc12 ZINC000111788316 328377938 /nfs/dbraw/zinc/37/79/38/328377938.db2.gz MEYMNAPQENCMRU-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN CCOC(=O)c1ccc(N[C@H](CC)c2ccccc2)nc1 ZINC000050197609 328391210 /nfs/dbraw/zinc/39/12/10/328391210.db2.gz GRUGNTOMRMWLRT-OAHLLOKOSA-N 0 0 284.359 3.822 10 0 CHAERN CCCc1nc(Br)c(Br)s1 ZINC000072192862 327109984 /nfs/dbraw/zinc/10/99/84/327109984.db2.gz VNYQZJZTARYXHY-UHFFFAOYSA-N 0 0 285.004 3.621 10 0 CHAERN O=C(Nc1c(F)cccc1F)c1ccc2cc[nH]c2c1 ZINC000060830530 327207275 /nfs/dbraw/zinc/20/72/75/327207275.db2.gz BMVINMZCCHNTHA-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN O=C(N[C@H]1CCOc2ccccc21)NC1CCCCCC1 ZINC000047638479 327276484 /nfs/dbraw/zinc/27/64/84/327276484.db2.gz UEGVDFJMSSZMME-HNNXBMFYSA-N 0 0 288.391 3.532 10 0 CHAERN CCCC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000151884168 327519181 /nfs/dbraw/zinc/51/91/81/327519181.db2.gz HPCWIUYDBUUDPU-CHWSQXEVSA-N 0 0 293.357 3.765 10 0 CHAERN Fc1ccccc1OCCc1nc(-c2cccs2)no1 ZINC000113703920 328633082 /nfs/dbraw/zinc/63/30/82/328633082.db2.gz ZSTZOJXYPDIPKT-UHFFFAOYSA-N 0 0 290.319 3.559 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)CC2CCCC2)o1 ZINC000114317904 328643891 /nfs/dbraw/zinc/64/38/91/328643891.db2.gz PZXGHIYOYHQVJW-YPMHNXCESA-N 0 0 263.381 3.982 10 0 CHAERN Cc1cccc(C(=O)N[C@H](C)c2ccccc2Cl)c1O ZINC000042253191 328763321 /nfs/dbraw/zinc/76/33/21/328763321.db2.gz RPUDCOZHLSADLX-LLVKDONJSA-N 0 0 289.762 3.845 10 0 CHAERN CCCn1nccc1NC(=O)C[C@@H](CC)c1ccccc1 ZINC000103378872 328769460 /nfs/dbraw/zinc/76/94/60/328769460.db2.gz XSAZESCKSORAIO-CQSZACIVSA-N 0 0 285.391 3.816 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043567198 328804878 /nfs/dbraw/zinc/80/48/78/328804878.db2.gz PEUGUMAPZKDTHP-QMMMGPOBSA-N 0 0 277.261 3.619 10 0 CHAERN CSc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116040889 328933712 /nfs/dbraw/zinc/93/37/12/328933712.db2.gz TZNFWOYKXMLAJB-CQSZACIVSA-N 0 0 287.384 3.979 10 0 CHAERN CCOc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116040417 328933735 /nfs/dbraw/zinc/93/37/35/328933735.db2.gz NNSVMUUTLXUJPR-OAHLLOKOSA-N 0 0 285.343 3.656 10 0 CHAERN CCC[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121851686 328990763 /nfs/dbraw/zinc/99/07/63/328990763.db2.gz BMUZIIHQBLNBFU-OCCSQVGLSA-N 0 0 275.392 3.841 10 0 CHAERN Cc1nc([C@@H](C)Nc2nc3ccccc3[nH]2)cs1 ZINC000170543382 329067403 /nfs/dbraw/zinc/06/74/03/329067403.db2.gz OMAYWDPXHWKSER-MRVPVSSYSA-N 0 0 258.350 3.501 10 0 CHAERN Cc1nc([C@@H](C)Nc2nc3ccccc3o2)cs1 ZINC000170543320 329067478 /nfs/dbraw/zinc/06/74/78/329067478.db2.gz HIXXUGLWPQLNQI-MRVPVSSYSA-N 0 0 259.334 3.766 10 0 CHAERN CC(C)(C)[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccs1 ZINC000172103358 329081273 /nfs/dbraw/zinc/08/12/73/329081273.db2.gz SXKUWWMQOCWHRQ-NMKXLXIOSA-N 0 0 293.432 3.519 10 0 CHAERN C[C@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)(C)C ZINC000171951736 329082571 /nfs/dbraw/zinc/08/25/71/329082571.db2.gz PXBJQBBKIKEING-LBPRGKRZSA-N 0 0 299.418 3.670 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173439611 329146966 /nfs/dbraw/zinc/14/69/66/329146966.db2.gz QODGGYQTKJZHBY-STQMWFEESA-N 0 0 293.411 3.683 10 0 CHAERN O=C(CCCC1CCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000173445567 329147024 /nfs/dbraw/zinc/14/70/24/329147024.db2.gz AUYZJXPLAUGJFK-INIZCTEOSA-N 0 0 289.423 3.824 10 0 CHAERN CCC(CC)C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173590086 329149605 /nfs/dbraw/zinc/14/96/05/329149605.db2.gz YJEZZKHOUWQCTJ-ZDUSSCGKSA-N 0 0 280.437 3.594 10 0 CHAERN CC1(C)C(C(=O)N2CCC[C@H]2c2ccco2)C1(C)C ZINC000174906712 329161714 /nfs/dbraw/zinc/16/17/14/329161714.db2.gz VKRSUHYMXRTIJA-NSHDSACASA-N 0 0 261.365 3.625 10 0 CHAERN O=C(CCC1CCC1)N[C@H]1CCCc2ccccc21 ZINC000175241851 329166923 /nfs/dbraw/zinc/16/69/23/329166923.db2.gz CNDDUZOCAHLCLU-INIZCTEOSA-N 0 0 257.377 3.761 10 0 CHAERN C[C@@H](NC(=O)N1CCCC[C@@H]1c1cccn1C)C(C)(C)C ZINC000175504871 329169097 /nfs/dbraw/zinc/16/90/97/329169097.db2.gz JQCLAZODCMTDMR-UKRRQHHQSA-N 0 0 291.439 3.696 10 0 CHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1Cl ZINC000178044451 329192068 /nfs/dbraw/zinc/19/20/68/329192068.db2.gz ADJIDJMVKFHIDO-HZMBPMFUSA-N 0 0 297.782 3.633 10 0 CHAERN Cc1cnc([C@@H](C)NCc2c(F)cccc2Cl)o1 ZINC000220925768 329203994 /nfs/dbraw/zinc/20/39/94/329203994.db2.gz IMIZFLGLLOUJPY-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN Cc1nc2ccccc2nc1CNc1ccc2c(c1)COC2 ZINC000179359114 329204606 /nfs/dbraw/zinc/20/46/06/329204606.db2.gz WZUPMXMKPVLQAE-UHFFFAOYSA-N 0 0 291.354 3.581 10 0 CHAERN C[C@@H](NCc1nc(-c2ccsc2)no1)c1cccs1 ZINC000179957559 329214049 /nfs/dbraw/zinc/21/40/49/329214049.db2.gz ONSWFQGCULGRRZ-SECBINFHSA-N 0 0 291.401 3.710 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180989015 329224657 /nfs/dbraw/zinc/22/46/57/329224657.db2.gz VSAGMGXGSCZCLT-LSDHHAIUSA-N 0 0 288.435 3.893 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C)c(O)c2)o1 ZINC000181119586 329226697 /nfs/dbraw/zinc/22/66/97/329226697.db2.gz BOLBQVMVVAFBDO-OAHLLOKOSA-N 0 0 299.370 3.969 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccco1)[C@@H](C)C2 ZINC000181254531 329228232 /nfs/dbraw/zinc/22/82/32/329228232.db2.gz NGAHTZYNADBZEE-UGSOOPFHSA-N 0 0 283.371 3.570 10 0 CHAERN Cc1cc(C)c(C(=O)N2CCC3(CCCC3)C2)c(Cl)n1 ZINC000182087109 329236881 /nfs/dbraw/zinc/23/68/81/329236881.db2.gz UIDFKCGJDUARBU-UHFFFAOYSA-N 0 0 292.810 3.758 10 0 CHAERN Cc1cccc(OCC(=O)Nc2ccccc2C(C)C)n1 ZINC000181800720 329237376 /nfs/dbraw/zinc/23/73/76/329237376.db2.gz JOGZKJQMCZRFFD-UHFFFAOYSA-N 0 0 284.359 3.531 10 0 CHAERN CO[C@@H](C(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000182303777 329241645 /nfs/dbraw/zinc/24/16/45/329241645.db2.gz SZXQXZKFODHEAT-ZWKOTPCHSA-N 0 0 295.382 3.568 10 0 CHAERN C[C@H]1C[C@@H](C(=O)NCC(=O)c2cccs2)CC(C)(C)C1 ZINC000182948712 329245902 /nfs/dbraw/zinc/24/59/02/329245902.db2.gz XZVDDYPCBCITJB-NWDGAFQWSA-N 0 0 293.432 3.509 10 0 CHAERN CC(C)c1cnc(CN2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000183076415 329247076 /nfs/dbraw/zinc/24/70/76/329247076.db2.gz QRAGJTSZTHNWHS-CYBMUJFWSA-N 0 0 290.436 3.717 10 0 CHAERN CC[C@@H](C)[C@@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000183713232 329249745 /nfs/dbraw/zinc/24/97/45/329249745.db2.gz LHXGBWNVVNUGPW-HUUCEWRRSA-N 0 0 288.435 3.545 10 0 CHAERN C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)C(C)(C)C ZINC000183675342 329251777 /nfs/dbraw/zinc/25/17/77/329251777.db2.gz IVAFGZXQYNBFOD-VNHYZAJKSA-N 0 0 289.423 3.609 10 0 CHAERN CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-] ZINC000226560653 329261274 /nfs/dbraw/zinc/26/12/74/329261274.db2.gz WGKKHLQLJQEYBD-MCIONIFRSA-N 0 0 269.429 3.824 10 0 CHAERN Cc1csc(C2CCN(C(=O)[C@H](C)CC(C)C)CC2)n1 ZINC000184724811 329262604 /nfs/dbraw/zinc/26/26/04/329262604.db2.gz GLSPPCMNQLBKKV-GFCCVEGCSA-N 0 0 294.464 3.840 10 0 CHAERN C=Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000185240005 329269459 /nfs/dbraw/zinc/26/94/59/329269459.db2.gz BJDSIHPQZSUGCS-INIZCTEOSA-N 0 0 279.339 3.583 10 0 CHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000185823095 329329824 /nfs/dbraw/zinc/32/98/24/329329824.db2.gz JZFINCDOOKBIIU-HNNXBMFYSA-N 0 0 289.382 3.994 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(C)c(F)c2)C12CCOCC2 ZINC000186447387 329342634 /nfs/dbraw/zinc/34/26/34/329342634.db2.gz GTPJASHFOOTURE-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN CCC(CC)CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187008507 329351742 /nfs/dbraw/zinc/35/17/42/329351742.db2.gz NKTWGMDYDBKQFS-AWEZNQCLSA-N 0 0 280.437 3.941 10 0 CHAERN Cc1nn(C)cc1N[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000187770702 329360508 /nfs/dbraw/zinc/36/05/08/329360508.db2.gz OLPVIJIBOAAHQL-OAHLLOKOSA-N 0 0 285.391 3.671 10 0 CHAERN Clc1sccc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000188749674 329370979 /nfs/dbraw/zinc/37/09/79/329370979.db2.gz ILMHAKRALGEURU-GDPRMGEGSA-N 0 0 269.797 3.771 10 0 CHAERN CC(C)=CCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000189579611 329383642 /nfs/dbraw/zinc/38/36/42/329383642.db2.gz UHGJEQXBYYPERD-AWEZNQCLSA-N 0 0 288.391 3.554 10 0 CHAERN CC(C)CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190269181 329394205 /nfs/dbraw/zinc/39/42/05/329394205.db2.gz OGXYTEBJXRNUES-GFCCVEGCSA-N 0 0 281.346 3.717 10 0 CHAERN C(SC1=NCCS1)[C@@H]1CCC2(CCCCC2)O1 ZINC000191804178 329420555 /nfs/dbraw/zinc/42/05/55/329420555.db2.gz ZYOHIHLSXSAFHA-NSHDSACASA-N 0 0 271.451 3.704 10 0 CHAERN CCC1CCC(NC(=O)[C@H](C)n2cnc3ccccc32)CC1 ZINC000193120554 329437531 /nfs/dbraw/zinc/43/75/31/329437531.db2.gz OCRSCTUYXHRIKB-NFOMZHRRSA-N 0 0 299.418 3.682 10 0 CHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2ccccc21 ZINC000102668712 329534562 /nfs/dbraw/zinc/53/45/62/329534562.db2.gz VTKJNTXMRXEJQW-CYBMUJFWSA-N 0 0 291.354 3.860 10 0 CHAERN CCc1ccccc1OCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116045354 329544390 /nfs/dbraw/zinc/54/43/90/329544390.db2.gz NREUZQBGDBWUFX-HNNXBMFYSA-N 0 0 299.370 3.585 10 0 CHAERN O=C(CCCOc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116046862 329544394 /nfs/dbraw/zinc/54/43/94/329544394.db2.gz BGANXTNCROSHQD-INIZCTEOSA-N 0 0 299.370 3.802 10 0 CHAERN COc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117722461 329546356 /nfs/dbraw/zinc/54/63/56/329546356.db2.gz ZMIDPSUCHPVNGM-UHFFFAOYSA-N 0 0 299.395 3.686 10 0 CHAERN O[C@@H]1CCCN(Cc2ccsc2)c2ccccc21 ZINC000124010949 329565996 /nfs/dbraw/zinc/56/59/96/329565996.db2.gz LBSISFPFULQQQA-OAHLLOKOSA-N 0 0 259.374 3.582 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)Nc2nccs2)cc1 ZINC000042736807 329575159 /nfs/dbraw/zinc/57/51/59/329575159.db2.gz QFOLQXJKHKCNAL-JTQLQIEISA-N 0 0 275.377 3.588 10 0 CHAERN COc1cc(F)ccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000044236186 329590766 /nfs/dbraw/zinc/59/07/66/329590766.db2.gz ZHUBMSOZQYAHBT-JTQLQIEISA-N 0 0 292.310 3.618 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccnc2)cc1 ZINC000126837582 329594929 /nfs/dbraw/zinc/59/49/29/329594929.db2.gz RTSLBBTXNBXWAR-ROUUACIJSA-N 0 0 294.398 3.625 10 0 CHAERN O=C(NCc1ccsc1)N1CC=C(c2ccccc2)CC1 ZINC000046025871 329603901 /nfs/dbraw/zinc/60/39/01/329603901.db2.gz GHWKHVPVLJWNCF-UHFFFAOYSA-N 0 0 298.411 3.747 10 0 CHAERN C[C@H]1CN(Cc2csc(C3CCCCC3)n2)C[C@H](C)O1 ZINC000046037557 329603939 /nfs/dbraw/zinc/60/39/39/329603939.db2.gz NCACQUPXGYMZCI-STQMWFEESA-N 0 0 294.464 3.800 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC(C)C)o1 ZINC000128449616 329608081 /nfs/dbraw/zinc/60/80/81/329608081.db2.gz SSKSYMGGTQXVMJ-CQSZACIVSA-N 0 0 263.381 3.942 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccncc1 ZINC000056794784 329676782 /nfs/dbraw/zinc/67/67/82/329676782.db2.gz ALWLQYPMVRGPNC-CJNGLKHVSA-N 0 0 287.407 3.507 10 0 CHAERN CCn1c(C)nnc1CSCc1ccc(Cl)cc1 ZINC000194656985 329687715 /nfs/dbraw/zinc/68/77/15/329687715.db2.gz HHYHQFLUERTSGW-UHFFFAOYSA-N 0 0 281.812 3.693 10 0 CHAERN C[C@H](CNc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000194719202 329688722 /nfs/dbraw/zinc/68/87/22/329688722.db2.gz RSFVNOCJJVIIQQ-CYBMUJFWSA-N 0 0 295.386 3.880 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C)O2)c1C ZINC000246025273 329769511 /nfs/dbraw/zinc/76/95/11/329769511.db2.gz MWGPTLVDOHBACC-XOKHGSTOSA-N 0 0 287.403 3.534 10 0 CHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246107855 329782681 /nfs/dbraw/zinc/78/26/81/329782681.db2.gz XCEMCFJVVZSGLG-JMSVASOKSA-N 0 0 287.359 3.520 10 0 CHAERN CC(C)C[C@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047393 329850426 /nfs/dbraw/zinc/85/04/26/329850426.db2.gz SPEJXHMCZNLEMK-UONOGXRCSA-N 0 0 294.464 3.921 10 0 CHAERN O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nccs1 ZINC000074909275 329865628 /nfs/dbraw/zinc/86/56/28/329865628.db2.gz CCAAHMQPZCNSJO-LBPRGKRZSA-N 0 0 292.791 3.774 10 0 CHAERN C[C@H]1CCN(C(=O)c2ccc(C=O)cc2)[C@H](c2ccco2)C1 ZINC000075389534 329866576 /nfs/dbraw/zinc/86/65/76/329866576.db2.gz OJHBJNYYZTYTCF-BBRMVZONSA-N 0 0 297.354 3.706 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000248339038 329889342 /nfs/dbraw/zinc/88/93/42/329889342.db2.gz IBEUZCLYSCTXES-QSJFSLAZSA-N 0 0 287.403 3.942 10 0 CHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CCS1 ZINC000248685008 329897169 /nfs/dbraw/zinc/89/71/69/329897169.db2.gz YYSNLFCCFSPQES-VHDGCEQUSA-N 0 0 281.465 3.557 10 0 CHAERN COCc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000248749659 329898726 /nfs/dbraw/zinc/89/87/26/329898726.db2.gz BURRQUSQQNAEEV-GVDBMIGSSA-N 0 0 287.403 3.593 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000249710493 329909455 /nfs/dbraw/zinc/90/94/55/329909455.db2.gz XWOUUOXVAMIBLD-LZWOXQAQSA-N 0 0 289.419 3.836 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c2cccnc12 ZINC000078370126 329954061 /nfs/dbraw/zinc/95/40/61/329954061.db2.gz NNFNROTYHVYPNY-SNVBAGLBSA-N 0 0 276.767 3.663 10 0 CHAERN CC(C)(C)[C@H](O)COc1cc(Cl)ccc1Cl ZINC000302832947 332886280 /nfs/dbraw/zinc/88/62/80/332886280.db2.gz UQQLZBXXBVHJNR-LLVKDONJSA-N 0 0 263.164 3.779 10 0 CHAERN Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)C(C)C ZINC000079411354 330033848 /nfs/dbraw/zinc/03/38/48/330033848.db2.gz KYTLWOMDQAHXTI-JTQLQIEISA-N 0 0 280.437 3.883 10 0 CHAERN CSc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000263396300 330054043 /nfs/dbraw/zinc/05/40/43/330054043.db2.gz GRZHIIMNDCXQHC-MFKMUULPSA-N 0 0 299.411 3.698 10 0 CHAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)c1ccc(-c2ccncc2)cc1 ZINC000080728508 330148196 /nfs/dbraw/zinc/14/81/96/330148196.db2.gz WIVXJFSBYWKPBA-IGCXYCKISA-N 0 0 295.386 3.517 10 0 CHAERN COCc1ccccc1N[C@H]1CCc2ccccc21 ZINC000036938969 330314749 /nfs/dbraw/zinc/31/47/49/330314749.db2.gz OOIZIZIOQZRNAY-KRWDZBQOSA-N 0 0 253.345 3.932 10 0 CHAERN Fc1cc(CN2C[C@@H]3CCC[C@H]32)ccc1Br ZINC000533081559 330331648 /nfs/dbraw/zinc/33/16/48/330331648.db2.gz BHHNPQMXSBENTC-GXFFZTMASA-N 0 0 284.172 3.573 10 0 CHAERN Cc1noc(C)c1CN[C@H](c1ccco1)c1ccccc1 ZINC000105839284 330329224 /nfs/dbraw/zinc/32/92/24/330329224.db2.gz ZFNADFVLGYPZBK-KRWDZBQOSA-N 0 0 282.343 3.764 10 0 CHAERN Fc1ccc(CN2C[C@H]3CCC[C@H]32)cc1Br ZINC000533081727 330331725 /nfs/dbraw/zinc/33/17/25/330331725.db2.gz QORJVQIPEJJORF-ZWNOBZJWSA-N 0 0 284.172 3.573 10 0 CHAERN Cc1ccccc1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000055274697 330364213 /nfs/dbraw/zinc/36/42/13/330364213.db2.gz NPPMUTQOBALDQK-KGLIPLIRSA-N 0 0 299.336 3.775 10 0 CHAERN CC(C)N(C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000086371357 330369385 /nfs/dbraw/zinc/36/93/85/330369385.db2.gz OBZMALIOVJMFPE-VIFPVBQESA-N 0 0 272.751 3.590 10 0 CHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)C=C3CCC3)C2)cc1 ZINC000087316624 330372672 /nfs/dbraw/zinc/37/26/72/330372672.db2.gz JYPVHRPAJFYXLT-BBRMVZONSA-N 0 0 285.387 3.510 10 0 CHAERN Cc1nc(CN[C@@H](C)c2ccc(C)c(F)c2)cs1 ZINC000088255025 330375044 /nfs/dbraw/zinc/37/50/44/330375044.db2.gz RGDAFQBVRLNXAB-JTQLQIEISA-N 0 0 264.369 3.750 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2cccnc2)cc1F ZINC000119562195 330376370 /nfs/dbraw/zinc/37/63/70/330376370.db2.gz AQGPCOPKVZZRJP-OLZOCXBDSA-N 0 0 286.350 3.510 10 0 CHAERN C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818251 330379110 /nfs/dbraw/zinc/37/91/10/330379110.db2.gz GEEUVDMCSVEJAH-MWODSPESSA-N 0 0 274.191 3.821 10 0 CHAERN Cc1ccccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000405628258 330381983 /nfs/dbraw/zinc/38/19/83/330381983.db2.gz IGSCYAAUAMNESV-UHFFFAOYSA-N 0 0 291.391 3.873 10 0 CHAERN CC(C)(C)OC(=O)NC1CCC2(CC1)CC[C@@H]1C[C@@H]1CO2 ZINC000536954842 330382977 /nfs/dbraw/zinc/38/29/77/330382977.db2.gz MSUAWOFPOITNML-GXZXJKLZSA-N 0 0 295.423 3.639 10 0 CHAERN CC[C@@]1(Br)COc2c(C)ccc(C)c2O1 ZINC000536956386 330383201 /nfs/dbraw/zinc/38/32/01/330383201.db2.gz WUSUTNBNLNGIQF-LBPRGKRZSA-N 0 0 271.154 3.576 10 0 CHAERN CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)C1CCCCC1 ZINC000090225246 330391629 /nfs/dbraw/zinc/39/16/29/330391629.db2.gz QNSYGDRTRUAAEE-JKSUJKDBSA-N 0 0 290.455 3.760 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000121002549 330394697 /nfs/dbraw/zinc/39/46/97/330394697.db2.gz MZRHENPEMBZIRP-SWLSCSKDSA-N 0 0 287.407 3.595 10 0 CHAERN CCc1nnc(CSCc2ccc3ccccc3c2)n1C ZINC000091027301 330397908 /nfs/dbraw/zinc/39/79/08/330397908.db2.gz QJFPVRIFBXECTC-UHFFFAOYSA-N 0 0 297.427 3.964 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1cc(F)ccc1F ZINC000091029053 330397924 /nfs/dbraw/zinc/39/79/24/330397924.db2.gz ZWKCMWQXRPYEQK-SECBINFHSA-N 0 0 297.374 3.879 10 0 CHAERN COc1ccc(Br)cc1NCCC1CC1 ZINC000083926449 330482863 /nfs/dbraw/zinc/48/28/63/330482863.db2.gz AUYGLNHQKWZTNJ-UHFFFAOYSA-N 0 0 270.170 3.670 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)O1 ZINC000157326574 330773184 /nfs/dbraw/zinc/77/31/84/330773184.db2.gz AUVICARWRXHXML-MLGOLLRUSA-N 0 0 291.366 3.669 10 0 CHAERN O=C(Nc1ccc(Cl)cc1)c1cccc2c1CCCN2 ZINC000165656071 331306244 /nfs/dbraw/zinc/30/62/44/331306244.db2.gz OUVLIOPATXNEET-UHFFFAOYSA-N 0 0 286.762 3.950 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)C(C)C)o1 ZINC000173328859 332969322 /nfs/dbraw/zinc/96/93/22/332969322.db2.gz SLXDEKCPSXQKRE-UONOGXRCSA-N 0 0 278.396 3.869 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000175014515 333013080 /nfs/dbraw/zinc/01/30/80/333013080.db2.gz ZPQLNDYHGXQTEX-LBPRGKRZSA-N 0 0 278.355 3.967 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000175340144 333021927 /nfs/dbraw/zinc/02/19/27/333021927.db2.gz WVDKQXNMAKRJRU-IHRRRGAJSA-N 0 0 276.380 3.623 10 0 CHAERN COC[C@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175720228 333030518 /nfs/dbraw/zinc/03/05/18/333030518.db2.gz FEVFPIJPWDDMSZ-XQQFMLRXSA-N 0 0 297.826 3.573 10 0 CHAERN CC(C)[C@@H](C)NC(=O)CCc1ccc(Br)cc1 ZINC000175986974 333038400 /nfs/dbraw/zinc/03/84/00/333038400.db2.gz LAESVNPWWTVEIC-LLVKDONJSA-N 0 0 298.224 3.542 10 0 CHAERN C[C@H]1C[C@@H]1Nc1ccnc2cc(Br)ccc21 ZINC000309812886 333049936 /nfs/dbraw/zinc/04/99/36/333049936.db2.gz UPZPEDGDULQAOD-UFBFGSQYSA-N 0 0 277.165 3.818 10 0 CHAERN CC1(C)CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000178084760 333067659 /nfs/dbraw/zinc/06/76/59/333067659.db2.gz AKCHYUHNAWCXPN-HNNXBMFYSA-N 0 0 287.403 3.843 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Cc2cccc(F)c2)cc1F ZINC000088234157 333087284 /nfs/dbraw/zinc/08/72/84/333087284.db2.gz VVAGGSROMYWRCL-GFCCVEGCSA-N 0 0 289.325 3.693 10 0 CHAERN CC(=O)c1ccccc1C(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088352591 333088196 /nfs/dbraw/zinc/08/81/96/333088196.db2.gz YAQMBXBFPYACPM-GFCCVEGCSA-N 0 0 299.345 3.828 10 0 CHAERN Cc1ccc(CO)cc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000182833081 333117864 /nfs/dbraw/zinc/11/78/64/333117864.db2.gz ARUIVEIQYRSIJO-WFASDCNBSA-N 0 0 289.419 3.888 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000183257001 333119998 /nfs/dbraw/zinc/11/99/98/333119998.db2.gz WLRPWYBOMIDTHD-HIFRSBDPSA-N 0 0 289.419 3.813 10 0 CHAERN C[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000184376873 333127809 /nfs/dbraw/zinc/12/78/09/333127809.db2.gz SORONUHBKMRCEB-MRVWCRGKSA-N 0 0 293.357 3.717 10 0 CHAERN Cc1cnc([C@H](C)[NH2+]CCCCc2ccccc2)o1 ZINC000220899386 333170224 /nfs/dbraw/zinc/17/02/24/333170224.db2.gz DKJAOWUFAZOASW-AWEZNQCLSA-N 0 0 258.365 3.657 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000189066047 333179658 /nfs/dbraw/zinc/17/96/58/333179658.db2.gz XQVRTSKBIFQPQT-LSDHHAIUSA-N 0 0 299.414 3.660 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000152561542 333181565 /nfs/dbraw/zinc/18/15/65/333181565.db2.gz RRHHGQOCLINNSI-WOPDTQHZSA-N 0 0 292.345 3.549 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189235112 333187252 /nfs/dbraw/zinc/18/72/52/333187252.db2.gz OYCYYXHCPKBSLV-GWCFXTLKSA-N 0 0 299.336 3.799 10 0 CHAERN CC[C@H](C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190015061 333201836 /nfs/dbraw/zinc/20/18/36/333201836.db2.gz LWVATFLPOYSQPJ-WOSRLPQWSA-N 0 0 291.391 3.618 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000190111680 333203174 /nfs/dbraw/zinc/20/31/74/333203174.db2.gz AABPAMYVMFVYOX-BBRMVZONSA-N 0 0 275.392 3.588 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000190266658 333205020 /nfs/dbraw/zinc/20/50/20/333205020.db2.gz FJCAPGTXXAKCSH-WPRPVWTQSA-N 0 0 288.174 3.747 10 0 CHAERN CCc1ccccc1CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000190518083 333207887 /nfs/dbraw/zinc/20/78/87/333207887.db2.gz VURJJWLNALYGGC-ZDUSSCGKSA-N 0 0 271.360 3.570 10 0 CHAERN CCCN(C(=O)[C@H]1CCCO[C@@H]1C)c1ccc(Cl)cc1 ZINC000191572243 333221563 /nfs/dbraw/zinc/22/15/63/333221563.db2.gz MCUBSSBQSWPPEE-DOMZBBRYSA-N 0 0 295.810 3.898 10 0 CHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)O1 ZINC000192419922 333235340 /nfs/dbraw/zinc/23/53/40/333235340.db2.gz ZBDMORJKDSXVHL-QUBYGPBYSA-N 0 0 292.137 3.639 10 0 CHAERN CC(C)c1c(N[C@H]2CCOC[C@@H]2C)cnn1-c1ccccc1 ZINC000195130492 333246315 /nfs/dbraw/zinc/24/63/15/333246315.db2.gz QSNZDYQHDAYRKR-HOCLYGCPSA-N 0 0 299.418 3.833 10 0 CHAERN CC[C@H](O)COc1ccc(Br)cc1C(C)C ZINC000227998617 333292071 /nfs/dbraw/zinc/29/20/71/333292071.db2.gz NAGITLGUDZXSBS-NSHDSACASA-N 0 0 287.197 3.722 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(C)cc1Br ZINC000229643318 333307148 /nfs/dbraw/zinc/30/71/48/333307148.db2.gz PMHKKFPJVNQPJS-ZWNOBZJWSA-N 0 0 296.208 3.676 10 0 CHAERN CCc1ncnc(N[C@@H](C)c2ccccc2C)c1F ZINC000230355164 333316810 /nfs/dbraw/zinc/31/68/10/333316810.db2.gz OYNZZOVKFUYTFP-NSHDSACASA-N 0 0 259.328 3.660 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc(Br)c1C ZINC000231691651 333328246 /nfs/dbraw/zinc/32/82/46/333328246.db2.gz XWEOZEFSGNJLNP-ZWNOBZJWSA-N 0 0 296.208 3.676 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1C ZINC000231692040 333328453 /nfs/dbraw/zinc/32/84/53/333328453.db2.gz SNJMJNIWRXYBBT-GWCFXTLKSA-N 0 0 296.208 3.676 10 0 CHAERN Cc1cnc([C@@H](C)Nc2cc[nH+]c3ccccc23)o1 ZINC000235225051 333366882 /nfs/dbraw/zinc/36/68/82/333366882.db2.gz DRKMIVTXKWZFTI-LLVKDONJSA-N 0 0 253.305 3.704 10 0 CHAERN c1ccc(-c2noc(-c3cccc4c3CCCN4)n2)cc1 ZINC000037605674 333535250 /nfs/dbraw/zinc/53/52/50/333535250.db2.gz WUZDZNYKUPPGGN-UHFFFAOYSA-N 0 0 277.327 3.762 10 0 CHAERN CC1(C)C[C@H](NC(=O)C(C2CC2)C2CC2)c2ccccc2O1 ZINC000127604052 333632569 /nfs/dbraw/zinc/63/25/69/333632569.db2.gz JIIGXNYFTQKITQ-HNNXBMFYSA-N 0 0 299.414 3.841 10 0 CHAERN CCOC(=O)[C@@H](N[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000067472037 333637975 /nfs/dbraw/zinc/63/79/75/333637975.db2.gz DTXGKPFOZMHOFO-YJBOKZPZSA-N 0 0 297.398 3.950 10 0 CHAERN CCOC1CC(Nc2ccc(C(F)(F)F)cc2)C1 ZINC000128859041 333722126 /nfs/dbraw/zinc/72/21/26/333722126.db2.gz IGNNQOUANYIYBQ-UHFFFAOYSA-N 0 0 259.271 3.685 10 0 CHAERN Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)C(C)C ZINC000072075303 333902543 /nfs/dbraw/zinc/90/25/43/333902543.db2.gz HBOWOZITLXNTKY-CQSZACIVSA-N 0 0 276.424 3.616 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)NC(C)(C)C)c2ccccc21 ZINC000132838490 334007384 /nfs/dbraw/zinc/00/73/84/334007384.db2.gz HAODGFYIAXQTOO-BXUZGUMPSA-N 0 0 260.381 3.723 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc3c(c2)CCN3C(C)=O)C1 ZINC000078005473 334120409 /nfs/dbraw/zinc/12/04/09/334120409.db2.gz KCBQISJUAUZDRN-DZGCQCFKSA-N 0 0 272.392 3.586 10 0 CHAERN CCn1ccnc1CSCc1csc(C2CC2)n1 ZINC000135263859 334122516 /nfs/dbraw/zinc/12/25/16/334122516.db2.gz OTPQGOXJJBYZBS-UHFFFAOYSA-N 0 0 279.434 3.670 10 0 CHAERN CCCOc1ccc(CCC(=O)N[C@H](C)C(C)C)cc1 ZINC000079411506 334153829 /nfs/dbraw/zinc/15/38/29/334153829.db2.gz BARCMNAZYKXECF-CQSZACIVSA-N 0 0 277.408 3.569 10 0 CHAERN CC[C@H]1CC[C@H](Nc2cccc(-c3nnco3)c2)C1 ZINC000080428722 334171234 /nfs/dbraw/zinc/17/12/34/334171234.db2.gz OUCQDKLTBCKXOZ-FZMZJTMJSA-N 0 0 257.337 3.727 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(N3CCCC3)nc2)C1 ZINC000080433300 334171411 /nfs/dbraw/zinc/17/14/11/334171411.db2.gz XJMQNOHGKDIMTN-KGLIPLIRSA-N 0 0 259.397 3.672 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(F)c(NC(C)=O)c2)C1 ZINC000080457316 334171628 /nfs/dbraw/zinc/17/16/28/334171628.db2.gz FNVOAHCSDPPBEU-NEPJUHHUSA-N 0 0 264.344 3.775 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000080491576 334172063 /nfs/dbraw/zinc/17/20/63/334172063.db2.gz AOMRWBYNQOVECR-DGCLKSJQSA-N 0 0 258.365 3.562 10 0 CHAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)c(Cl)c1 ZINC000246966364 334272888 /nfs/dbraw/zinc/27/28/88/334272888.db2.gz PWBGQHCYAILDMC-GJTWSCIVSA-N 0 0 281.758 3.702 10 0 CHAERN Cc1cc2cc(NC(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH]1 ZINC000245728089 334215792 /nfs/dbraw/zinc/21/57/92/334215792.db2.gz DXZZJPHNDPNAQI-DABQJJPHSA-N 0 0 286.375 3.618 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@H]2CC[C@@H](C)O2)cc1F ZINC000245889708 334223018 /nfs/dbraw/zinc/22/30/18/334223018.db2.gz ZEAJRQNULVNFOX-VNHYZAJKSA-N 0 0 293.382 3.659 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246485361 334259761 /nfs/dbraw/zinc/25/97/61/334259761.db2.gz ASFNSKDOBNBGPN-HUBLWGQQSA-N 0 0 293.357 3.763 10 0 CHAERN C[C@@H](NC(=O)N1C[C@@H](C)[C@H]2CCCC[C@@H]21)C(C)(C)C ZINC000248435560 334301640 /nfs/dbraw/zinc/30/16/40/334301640.db2.gz RSCRWBWQTOGQFD-SYQHCUMBSA-N 0 0 266.429 3.641 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000248566295 334306495 /nfs/dbraw/zinc/30/64/95/334306495.db2.gz NJNFUEVBJPGJDN-BJDJZHNGSA-N 0 0 279.346 3.906 10 0 CHAERN COC(=O)[C@H](c1ccccc1C)N1CCC[C@H]1c1ccco1 ZINC000248606471 334308304 /nfs/dbraw/zinc/30/83/04/334308304.db2.gz FWUIIHHFDNEISK-RDJZCZTQSA-N 0 0 299.370 3.639 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2CCSC[C@@H](C)C2)CC(C)(C)C1 ZINC000248992826 334323940 /nfs/dbraw/zinc/32/39/40/334323940.db2.gz HKNMUPIBAYXGDE-IHRRRGAJSA-N 0 0 283.481 3.660 10 0 CHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249287598 334331433 /nfs/dbraw/zinc/33/14/33/334331433.db2.gz JEJIEWBWRHMADN-RHYQMDGZSA-N 0 0 277.330 3.516 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000251215762 334358403 /nfs/dbraw/zinc/35/84/03/334358403.db2.gz YPXQJRYLQXBGGL-ZLKJLUDKSA-N 0 0 281.783 3.574 10 0 CHAERN CS[C@H](C)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000153115995 334558297 /nfs/dbraw/zinc/55/82/97/334558297.db2.gz UDEJTXHEEWLENY-JMSVASOKSA-N 0 0 277.433 3.883 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1CCCc2cccc(F)c21 ZINC000153723779 334678301 /nfs/dbraw/zinc/67/83/01/334678301.db2.gz GFCGYRASQQRKPY-UHFFFAOYSA-N 0 0 294.329 3.900 10 0 CHAERN Cc1nc(C(C)C)sc1[C@@H](C)Nc1cnn(C)c1C ZINC000179872498 335527884 /nfs/dbraw/zinc/52/78/84/335527884.db2.gz MMVZKICEOSERDN-SECBINFHSA-N 0 0 278.425 3.790 10 0 CHAERN Cc1cc(N[C@H](C)c2cnccn2)c2cccnc2c1C ZINC000179982885 335537968 /nfs/dbraw/zinc/53/79/68/335537968.db2.gz HOAKDKZAIQCHRG-CYBMUJFWSA-N 0 0 278.359 3.815 10 0 CHAERN Cc1ccnn1-c1ccccc1N[C@H](C)c1ccncc1 ZINC000184468861 335926682 /nfs/dbraw/zinc/92/66/82/335926682.db2.gz SJMDVEBQTCMVLM-CQSZACIVSA-N 0 0 278.359 3.749 10 0 CHAERN Cc1ccnn1-c1ccccc1N[C@@H](C)c1cccnc1 ZINC000184467533 335926690 /nfs/dbraw/zinc/92/66/90/335926690.db2.gz OSZHYJQVSCKFQT-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN CC(C)c1nnc(CNc2ccc(Cl)c(Cl)c2)n1C ZINC000194981363 336041847 /nfs/dbraw/zinc/04/18/47/336041847.db2.gz BLFRNUGPOVDOPU-UHFFFAOYSA-N 0 0 299.205 3.857 10 0 CHAERN CCOC(=O)Nc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000383608706 336115345 /nfs/dbraw/zinc/11/53/45/336115345.db2.gz RAQKKQIZIMOODF-NILFDRSVSA-N 0 0 274.364 3.856 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000298662994 519812565 /nfs/dbraw/zinc/81/25/65/519812565.db2.gz SWIHZTGBTMGNKN-NWDGAFQWSA-N 0 0 266.360 3.573 10 0 CHAERN CCCC1CCC(Nc2nc(Cl)nc(Cl)n2)CC1 ZINC000061518733 519899411 /nfs/dbraw/zinc/89/94/11/519899411.db2.gz WZYJLXUVUMGZIW-UHFFFAOYSA-N 0 0 289.210 3.949 10 0 CHAERN CCOc1cc(Cl)c2c(c1OCC)[C@H](O)CCC2 ZINC000054742900 520734329 /nfs/dbraw/zinc/73/43/29/520734329.db2.gz GQTJEQIAXGTAPZ-LLVKDONJSA-N 0 0 270.756 3.507 10 0 CHAERN CCC[C@](C)([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000049527874 521284807 /nfs/dbraw/zinc/28/48/07/521284807.db2.gz YUNMGQMNZHITFO-YGRLFVJLSA-N 0 0 269.772 3.634 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2ccccc2)[nH]1 ZINC000088398640 521300396 /nfs/dbraw/zinc/30/03/96/521300396.db2.gz NBTNQLJHVJNRES-UHFFFAOYSA-N 0 0 277.799 3.696 10 0 CHAERN CCSc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000073990323 521766496 /nfs/dbraw/zinc/76/64/96/521766496.db2.gz ZUGWCOJKEIHMNN-NSHDSACASA-N 0 0 296.461 3.768 10 0 CHAERN C[C@@H]1C[C@@H]1Nc1cncc(SCc2ccccc2)n1 ZINC000301833596 533741298 /nfs/dbraw/zinc/74/12/98/533741298.db2.gz VACZIPQPAXZEEU-YPMHNXCESA-N 0 0 271.389 3.589 10 0 CHAERN CCc1nc(N(C)[C@H]2CCC[C@H](C)C2)sc1C=O ZINC000054967588 522381155 /nfs/dbraw/zinc/38/11/55/522381155.db2.gz RKVLXRUXDVSMDX-QWRGUYRKSA-N 0 0 266.410 3.533 10 0 CHAERN C[C@@H]1C[C@H](c2nc(CC3=CCCCC3)no2)CCC1=O ZINC000330219210 534007655 /nfs/dbraw/zinc/00/76/55/534007655.db2.gz PIIGMIHLYFCFQT-DGCLKSJQSA-N 0 0 274.364 3.585 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000334762287 534150353 /nfs/dbraw/zinc/15/03/53/534150353.db2.gz IIPAJCQHCKBDBS-GXFFZTMASA-N 0 0 264.756 3.665 10 0 CHAERN Brc1ccc(COCCc2ccccn2)cc1 ZINC000049600812 518213175 /nfs/dbraw/zinc/21/31/75/518213175.db2.gz BULOWRLLXSLNCH-UHFFFAOYSA-N 0 0 292.176 3.603 10 0 CHAERN Brc1nc(C2CCC2)c(Br)s1 ZINC000072192943 518236464 /nfs/dbraw/zinc/23/64/64/518236464.db2.gz XBMDWXJCLMQFKT-UHFFFAOYSA-N 0 0 297.015 3.936 10 0 CHAERN CC(=O)c1ccc(N2C[C@H](C)OC(C)(C)C2)c(Cl)c1 ZINC000061694227 518356225 /nfs/dbraw/zinc/35/62/25/518356225.db2.gz GMNMCCMFOXTWBW-JTQLQIEISA-N 0 0 281.783 3.546 10 0 CHAERN CC(C)(C)Cc1nc2cc(Br)cc(N)c2o1 ZINC000062558234 518698837 /nfs/dbraw/zinc/69/88/37/518698837.db2.gz FIJGKEPLTLHQFO-UHFFFAOYSA-N 0 0 283.169 3.761 10 0 CHAERN CC(C)CC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000055743282 519597701 /nfs/dbraw/zinc/59/77/01/519597701.db2.gz OUSOWFORFJOSSM-VIFPVBQESA-N 0 0 257.736 3.702 10 0 CHAERN CC(C)N(Cc1ccccc1)c1nc(Cl)nc(Cl)n1 ZINC000061517973 519658219 /nfs/dbraw/zinc/65/82/19/519658219.db2.gz VDDFFCVGMDFRLP-UHFFFAOYSA-N 0 0 297.189 3.593 10 0 CHAERN CC(C)CCn1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852277 519700455 /nfs/dbraw/zinc/70/04/55/519700455.db2.gz RVUJYLDLXIHVNM-UHFFFAOYSA-N 0 0 271.286 3.683 10 0 CHAERN CC(C)Oc1ccc([C@@](C)(O)c2cccs2)cc1 ZINC000063077026 519781841 /nfs/dbraw/zinc/78/18/41/519781841.db2.gz NTUKQEXKAKNHGX-OAHLLOKOSA-N 0 0 262.374 3.791 10 0 CHAERN CC(C)[C@@H](Cc1ccc(C(F)(F)F)cc1)[C@@H](C)O ZINC000061688776 519795937 /nfs/dbraw/zinc/79/59/37/519795937.db2.gz QFQNSADKVWMWLN-ZWNOBZJWSA-N 0 0 260.299 3.901 10 0 CHAERN CC(C)[C@@H](c1cccs1)n1cnc2cc(N)ccc21 ZINC000052854786 519801604 /nfs/dbraw/zinc/80/16/04/519801604.db2.gz TZEHVNVIISTFNH-HNNXBMFYSA-N 0 0 271.389 3.925 10 0 CHAERN CC(C)[C@H](C)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852183 519813491 /nfs/dbraw/zinc/81/34/91/519813491.db2.gz JJALKPXMRCMUNG-QMMMGPOBSA-N 0 0 271.286 3.854 10 0 CHAERN CC(C)[C@H](c1cccs1)n1cnc2cc(N)ccc21 ZINC000052854787 519824189 /nfs/dbraw/zinc/82/41/89/519824189.db2.gz TZEHVNVIISTFNH-OAHLLOKOSA-N 0 0 271.389 3.925 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C2CC2)cc1 ZINC000130305651 519839657 /nfs/dbraw/zinc/83/96/57/519839657.db2.gz YLPNGEZWOMPEES-JKSUJKDBSA-N 0 0 257.377 3.534 10 0 CHAERN CC(C)c1ccccc1OCCC(C)(C)C(N)=S ZINC000057901663 519847580 /nfs/dbraw/zinc/84/75/80/519847580.db2.gz YVJARFDBYICDQF-UHFFFAOYSA-N 0 0 265.422 3.891 10 0 CHAERN CC(C)c1nc(CSc2ccc(Cl)cc2N)no1 ZINC000049336370 519865196 /nfs/dbraw/zinc/86/51/96/519865196.db2.gz BYCYUENULKFYHB-UHFFFAOYSA-N 0 0 283.784 3.721 10 0 CHAERN CCCCCCC(=O)Cc1ccc(OC)c(OC)c1 ZINC000053766561 519948495 /nfs/dbraw/zinc/94/84/95/519948495.db2.gz CMEQGTZARULKQU-UHFFFAOYSA-N 0 0 264.365 3.786 10 0 CHAERN CCN(C(=O)[C@@H]1CCc2ccccc2N1)C1CCCCC1 ZINC000055352516 520029796 /nfs/dbraw/zinc/02/97/96/520029796.db2.gz RNYCJZHAXDGNEL-KRWDZBQOSA-N 0 0 286.419 3.595 10 0 CHAERN CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000053995098 520110171 /nfs/dbraw/zinc/11/01/71/520110171.db2.gz MCFIDPUNWXCJQN-SJORKVTESA-N 0 0 283.371 3.514 10 0 CHAERN CCCCCC[C@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000061518657 520132806 /nfs/dbraw/zinc/13/28/06/520132806.db2.gz QRXUXORYKPHVKC-QMMMGPOBSA-N 0 0 277.199 3.949 10 0 CHAERN CCCNc1ccc(CO[C@H](C)CC(C)C)cn1 ZINC000050832022 520160034 /nfs/dbraw/zinc/16/00/34/520160034.db2.gz JXTSHGLRUSHXOF-CYBMUJFWSA-N 0 0 250.386 3.855 10 0 CHAERN CCCNc1ccnc2c(OC)ccc(Br)c12 ZINC000050844504 520186559 /nfs/dbraw/zinc/18/65/59/520186559.db2.gz WWQWHKRRRGCVRF-UHFFFAOYSA-N 0 0 295.180 3.828 10 0 CHAERN CCCNc1ncccc1COc1ccc(F)cc1 ZINC000052734680 520195904 /nfs/dbraw/zinc/19/59/04/520195904.db2.gz JQXNFNUDDUFTEX-UHFFFAOYSA-N 0 0 260.312 3.622 10 0 CHAERN CCNc1cc(COc2ccc(Cl)cc2)ccn1 ZINC000052734595 520272879 /nfs/dbraw/zinc/27/28/79/520272879.db2.gz LHORZLSFAHJUOQ-UHFFFAOYSA-N 0 0 262.740 3.746 10 0 CHAERN CCNc1nc(-c2ccc(Cl)s2)nc2c1CCC2 ZINC000050867652 520351921 /nfs/dbraw/zinc/35/19/21/520351921.db2.gz MTAJAZDEKXSPML-UHFFFAOYSA-N 0 0 279.796 3.779 10 0 CHAERN CCCOc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139065072 520428681 /nfs/dbraw/zinc/42/86/81/520428681.db2.gz NLHHRNLFTLLGNO-STQMWFEESA-N 0 0 273.380 3.610 10 0 CHAERN CCCCN(C)c1nc(-c2ccccc2)c(C=O)s1 ZINC000054967001 520435493 /nfs/dbraw/zinc/43/54/93/520435493.db2.gz YRBZDCSIBODVSX-UHFFFAOYSA-N 0 0 274.389 3.859 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccccc2COC)C12CCC2 ZINC000087709534 520552254 /nfs/dbraw/zinc/55/22/54/520552254.db2.gz FUADHFOIVGICEJ-CVEARBPZSA-N 0 0 275.392 3.593 10 0 CHAERN CCC[C@@H](CC)Nc1ccc(Cl)cc1C(N)=S ZINC000052859111 520688820 /nfs/dbraw/zinc/68/88/20/520688820.db2.gz CPVKEXBKOUPKQI-SNVBAGLBSA-N 0 0 270.829 3.965 10 0 CHAERN CC1=C(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CCCO1 ZINC000122547835 520801639 /nfs/dbraw/zinc/80/16/39/520801639.db2.gz GNYOJKBLVVWIIX-SECBINFHSA-N 0 0 297.757 3.741 10 0 CHAERN CCOc1ccc(-c2nc3c(c(Cl)n2)CCC3)cc1 ZINC000048770528 520822278 /nfs/dbraw/zinc/82/22/78/520822278.db2.gz XNYHRQIQQSEBED-UHFFFAOYSA-N 0 0 274.751 3.684 10 0 CHAERN CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([NH+]2CCCCCC2)C1 ZINC000062750343 520828988 /nfs/dbraw/zinc/82/89/88/520828988.db2.gz VAHYFQSQEWAOLS-QLFBSQMISA-N 0 0 267.413 3.532 10 0 CHAERN CCCC[C@@H](CC)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000193342979 521014832 /nfs/dbraw/zinc/01/48/32/521014832.db2.gz ZUVSADFGRROBKW-UKRRQHHQSA-N 0 0 277.412 3.680 10 0 CHAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](CCC)C(C)C)C1 ZINC000062751513 521209265 /nfs/dbraw/zinc/20/92/65/521209265.db2.gz BIJQQAKDNCCHNQ-RRFJBIMHSA-N 0 0 269.429 3.776 10 0 CHAERN CCN(Cc1cc(C)cc(C)c1)c1ccccc1N ZINC000050454057 521288260 /nfs/dbraw/zinc/28/82/60/521288260.db2.gz GHRXUHVXCGYOKV-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN CCOc1cccc(C(=O)c2ccc(F)c(C)c2)c1 ZINC000055199011 521326747 /nfs/dbraw/zinc/32/67/47/521326747.db2.gz AXLFHNPVYIZVPN-UHFFFAOYSA-N 0 0 258.292 3.764 10 0 CHAERN CCCc1cc(N)nc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000050866666 521367027 /nfs/dbraw/zinc/36/70/27/521367027.db2.gz NXJKJRNUKHOLFH-UHFFFAOYSA-N 0 0 282.174 3.985 10 0 CHAERN CCOc1cccc([C@H](O)c2cc(C)ccc2C)c1 ZINC000053303186 521423074 /nfs/dbraw/zinc/42/30/74/521423074.db2.gz HSUCUBOXUAFXHR-KRWDZBQOSA-N 0 0 256.345 3.784 10 0 CHAERN CCC1(C)CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000063104723 521679181 /nfs/dbraw/zinc/67/91/81/521679181.db2.gz IKNCUEVIPNDITG-UHFFFAOYSA-N 0 0 275.421 3.895 10 0 CHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H]1C ZINC000084187191 521748048 /nfs/dbraw/zinc/74/80/48/521748048.db2.gz SIFVXOMDTIVPHY-KCJUWKMLSA-N 0 0 269.797 3.590 10 0 CHAERN CC[C@H](C)OCc1nc2sc(C)c(C)c2c(NC)n1 ZINC000050833224 521755256 /nfs/dbraw/zinc/75/52/56/521755256.db2.gz KAUXUNGGJDDJFM-QMMMGPOBSA-N 0 0 279.409 3.665 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2cccs2)c1 ZINC000037086628 521805271 /nfs/dbraw/zinc/80/52/71/521805271.db2.gz SMYQFVAXEVFCFW-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN CCc1nc(CNc2c(F)cccc2F)cs1 ZINC000050285604 522358694 /nfs/dbraw/zinc/35/86/94/522358694.db2.gz NTOWGGOAEYMPAY-UHFFFAOYSA-N 0 0 254.305 3.596 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccccc1SC(F)(F)F ZINC000103380227 522554612 /nfs/dbraw/zinc/55/46/12/522554612.db2.gz WEIUTFSWRKDCHQ-QMMMGPOBSA-N 0 0 293.310 3.520 10 0 CHAERN CNc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccn1 ZINC000050720966 522560548 /nfs/dbraw/zinc/56/05/48/522560548.db2.gz WNAFJBGUFYVSLF-UHFFFAOYSA-N 0 0 296.157 3.682 10 0 CHAERN CNc1cc(COc2cccc(C(C)C)c2)ccn1 ZINC000052734443 522567012 /nfs/dbraw/zinc/56/70/12/522567012.db2.gz OJBFNYANQIQYLM-UHFFFAOYSA-N 0 0 256.349 3.826 10 0 CHAERN CN(CC1CCCCC1)c1nc2ccc(N)cc2s1 ZINC000063103831 522656011 /nfs/dbraw/zinc/65/60/11/522656011.db2.gz RCUOJUZWLNLKGR-UHFFFAOYSA-N 0 0 275.421 3.895 10 0 CHAERN CNc1nc(-c2cccc(F)c2)nc(C)c1C(C)C ZINC000061687406 522676169 /nfs/dbraw/zinc/67/61/69/522676169.db2.gz UXLVOYLSFYECHD-UHFFFAOYSA-N 0 0 259.328 3.756 10 0 CHAERN CC[C@H](N[C@@H](C(=O)OC)C(C)C)c1ccc(Cl)cc1 ZINC000069150311 522684976 /nfs/dbraw/zinc/68/49/76/522684976.db2.gz YUCZZYCDOBFRSS-UONOGXRCSA-N 0 0 283.799 3.578 10 0 CHAERN CC[C@H](Nc1cncc(Cl)n1)c1cccs1 ZINC000043538159 522776911 /nfs/dbraw/zinc/77/69/11/522776911.db2.gz IIRZQODJCDDEHB-QMMMGPOBSA-N 0 0 253.758 3.755 10 0 CHAERN CC[C@H](Nc1nc(OC)ncc1Cl)c1cccs1 ZINC000157784434 522779060 /nfs/dbraw/zinc/77/90/60/522779060.db2.gz QJSQQYRUXZPPDE-VIFPVBQESA-N 0 0 283.784 3.763 10 0 CHAERN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccco1 ZINC000054082536 522958119 /nfs/dbraw/zinc/95/81/19/522958119.db2.gz ABYHDQLKGGGXHR-GFCCVEGCSA-N 0 0 261.321 3.860 10 0 CHAERN COCc1cnc(NCc2cc(Cl)cs2)s1 ZINC000285310110 523155044 /nfs/dbraw/zinc/15/50/44/523155044.db2.gz VNYQTFXUOKRRQS-UHFFFAOYSA-N 0 0 274.798 3.617 10 0 CHAERN CC[C@@H]1CCCN1c1ccc([C@@H](C)O)cc1Br ZINC000061695765 523271947 /nfs/dbraw/zinc/27/19/47/523271947.db2.gz ACXJFMLWXLHLGQ-ZYHUDNBSSA-N 0 0 298.224 3.881 10 0 CHAERN CN(Cc1cccs1)c1ccc(Cl)cc1C(N)=S ZINC000052858256 523451706 /nfs/dbraw/zinc/45/17/06/523451706.db2.gz XTDFQSUNBFESPE-UHFFFAOYSA-N 0 0 296.848 3.672 10 0 CHAERN CCn1ccnc1Oc1ccc(C)cc1Br ZINC000050608088 523550811 /nfs/dbraw/zinc/55/08/11/523550811.db2.gz HTJVDIFBXSGFJD-UHFFFAOYSA-N 0 0 281.153 3.766 10 0 CHAERN CO[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000054186923 523662673 /nfs/dbraw/zinc/66/26/73/523662673.db2.gz RHMFLSRPAHTIJG-VXGBXAGGSA-N 0 0 259.271 3.685 10 0 CHAERN CC[C@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000193342920 523759019 /nfs/dbraw/zinc/75/90/19/523759019.db2.gz VXDFZCMFGWFPDS-DLBZAZTESA-N 0 0 297.402 3.657 10 0 CHAERN CCc1cc(Cl)nc(Cc2cc(F)cc(F)c2)n1 ZINC000049348156 523788423 /nfs/dbraw/zinc/78/84/23/523788423.db2.gz KFGYTEQBORVNGA-UHFFFAOYSA-N 0 0 268.694 3.561 10 0 CHAERN CCc1ccc(NC(=O)C(F)(F)F)c(Br)c1 ZINC000065000191 523969376 /nfs/dbraw/zinc/96/93/76/523969376.db2.gz WPMQPMBMGMQKGO-UHFFFAOYSA-N 0 0 296.086 3.512 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)SC)o1 ZINC000128387437 524053224 /nfs/dbraw/zinc/05/32/24/524053224.db2.gz OHKYPZYNBAHCJY-WCQYABFASA-N 0 0 281.421 3.647 10 0 CHAERN C[C@@H]1CCCC[C@@H]1N(C)c1cccc(Cl)c1C(N)=S ZINC000052907133 524132007 /nfs/dbraw/zinc/13/20/07/524132007.db2.gz SHHRFZODFYSFLI-PWSUYJOCSA-N 0 0 296.867 3.989 10 0 CHAERN C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062755167 524163043 /nfs/dbraw/zinc/16/30/43/524163043.db2.gz JAGJVTYIHOMUBT-LXTVHRRPSA-N 0 0 267.413 3.530 10 0 CHAERN C[C@H]1CCC[C@@](O)(c2ccccc2OC(F)(F)F)C1 ZINC000055189804 524174783 /nfs/dbraw/zinc/17/47/83/524174783.db2.gz GSZKTGCQKLPTCA-GWCFXTLKSA-N 0 0 274.282 3.983 10 0 CHAERN C[C@@H]1CCCC[C@H]1Oc1cc(Cl)ccc1C(N)=S ZINC000062788635 524179606 /nfs/dbraw/zinc/17/96/06/524179606.db2.gz KYXIWYLLIKVDOS-BXKDBHETSA-N 0 0 283.824 3.932 10 0 CHAERN Cc1ccc(CN(C)c2ccc(C=O)c(C)c2)cc1 ZINC000050569412 524401468 /nfs/dbraw/zinc/40/14/68/524401468.db2.gz SYGLGOVNSWDNAU-UHFFFAOYSA-N 0 0 253.345 3.752 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@H]1CCCC[C@@H]1C ZINC000037055260 524673135 /nfs/dbraw/zinc/67/31/35/524673135.db2.gz VPUGVWGTAFEWBI-FZMZJTMJSA-N 0 0 276.380 3.644 10 0 CHAERN COc1ccc(N[C@H](C)c2cn(C)nc2C)cc1Cl ZINC000087406414 524708802 /nfs/dbraw/zinc/70/88/02/524708802.db2.gz OGOMOOYNOMLNIA-SECBINFHSA-N 0 0 279.771 3.564 10 0 CHAERN Cc1cc(CNc2ccc(F)c(F)c2)c(C)n1C ZINC000052789587 524787462 /nfs/dbraw/zinc/78/74/62/524787462.db2.gz USIQWQKJMZZMTB-UHFFFAOYSA-N 0 0 250.292 3.532 10 0 CHAERN C[C@H](N(C)c1ccc(C(N)=S)cc1Cl)C(C)(C)C ZINC000062795850 524815361 /nfs/dbraw/zinc/81/53/61/524815361.db2.gz GBSHHFUBRSVNFO-VIFPVBQESA-N 0 0 284.856 3.845 10 0 CHAERN Cc1ccc(F)cc1[C@H](O)c1ccc(Cl)cc1 ZINC000052138697 524874989 /nfs/dbraw/zinc/87/49/89/524874989.db2.gz WXFMJZNSZGOJMP-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)CCC(C)C)c21 ZINC000103130012 524918807 /nfs/dbraw/zinc/91/88/07/524918807.db2.gz CWCLAFFUBTYAJF-UHFFFAOYSA-N 0 0 272.392 3.571 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1ccc(C(N)=S)c(Cl)c1 ZINC000061849634 524930545 /nfs/dbraw/zinc/93/05/45/524930545.db2.gz LMCYMUJXKXGTPW-VIFPVBQESA-N 0 0 294.807 3.610 10 0 CHAERN Cc1cc(F)ccc1[C@@H](O)c1ccccc1Cl ZINC000055203957 525006203 /nfs/dbraw/zinc/00/62/03/525006203.db2.gz FRRBTKAUTAFNAA-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000190291868 525013691 /nfs/dbraw/zinc/01/36/91/525013691.db2.gz MFMWKGRPYTXOCL-SCZZXKLOSA-N 0 0 288.174 3.747 10 0 CHAERN Cc1cc(N)ccc1SCCCOCC(F)(F)F ZINC000049312601 525039920 /nfs/dbraw/zinc/03/99/20/525039920.db2.gz KGNUIZOCMCOFAH-UHFFFAOYSA-N 0 0 279.327 3.638 10 0 CHAERN Cc1ccccc1C(=O)COc1cc(F)cc(F)c1 ZINC000054933389 525042395 /nfs/dbraw/zinc/04/23/95/525042395.db2.gz HFNVKXTWGLXJGB-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN C[C@@H](NC(=O)C1CC=CC1)c1ccc(F)c(Cl)c1 ZINC000077738973 525063121 /nfs/dbraw/zinc/06/31/21/525063121.db2.gz KMFCVFXMWRWWEA-SECBINFHSA-N 0 0 267.731 3.623 10 0 CHAERN Cc1ccccc1COc1cc(F)ccc1[C@H](C)O ZINC000062749407 525171986 /nfs/dbraw/zinc/17/19/86/525171986.db2.gz BCIDHEGKIROTPB-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN C[C@@H]1C[C@@H](C)CCN1c1nc(Cl)nc2ccccc21 ZINC000052811915 525201038 /nfs/dbraw/zinc/20/10/38/525201038.db2.gz RTDMCODRENDYDG-WDEREUQCSA-N 0 0 275.783 3.908 10 0 CHAERN Cc1ccc(N[C@H]2CCOc3ccccc32)cc1N ZINC000061701979 525320835 /nfs/dbraw/zinc/32/08/35/525320835.db2.gz NBOOWKXCOZKGGA-HNNXBMFYSA-N 0 0 254.333 3.513 10 0 CHAERN Cc1cc(Oc2ccc(Cl)nc2)nc(C(C)C)n1 ZINC000301743763 525385363 /nfs/dbraw/zinc/38/53/63/525385363.db2.gz GGVOYUSEUZINNP-UHFFFAOYSA-N 0 0 263.728 3.749 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1nc(Cl)nc(Cl)n1 ZINC000061053336 525419631 /nfs/dbraw/zinc/41/96/31/525419631.db2.gz CFJRRZSJUIEBET-QMMMGPOBSA-N 0 0 283.162 3.660 10 0 CHAERN Cc1cc(Sc2ccncc2N)c2ccccc2n1 ZINC000050472160 525442761 /nfs/dbraw/zinc/44/27/61/525442761.db2.gz FRYQHMBWKLLBBJ-UHFFFAOYSA-N 0 0 267.357 3.672 10 0 CHAERN C[C@@H]1C[C@H](OCCCCC(N)=S)CC(C)(C)C1 ZINC000049583120 525456797 /nfs/dbraw/zinc/45/67/97/525456797.db2.gz GZIYVCKDZPVUNM-NEPJUHHUSA-N 0 0 257.443 3.674 10 0 CHAERN Cc1cc([C@H](C)Nc2nc(Cl)nc(Cl)n2)c(C)o1 ZINC000061519005 525534356 /nfs/dbraw/zinc/53/43/56/525534356.db2.gz UZOVPNLAIYDIFC-LURJTMIESA-N 0 0 287.150 3.561 10 0 CHAERN Cc1cc2c(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)nccn2n1 ZINC000274685016 525588335 /nfs/dbraw/zinc/58/83/35/525588335.db2.gz OSAQHYHYYWMXIK-GHMZBOCLSA-N 0 0 298.312 3.571 10 0 CHAERN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1ccc(F)c(F)c1 ZINC000079289499 525622653 /nfs/dbraw/zinc/62/26/53/525622653.db2.gz VXNCJHGPIUUBSJ-BDAKNGLRSA-N 0 0 293.317 3.637 10 0 CHAERN Cc1ccc(SCCCOCC(F)(F)F)c(N)c1 ZINC000049312600 525655733 /nfs/dbraw/zinc/65/57/33/525655733.db2.gz CYNCLPZDUOIYKA-UHFFFAOYSA-N 0 0 279.327 3.638 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1nccs1 ZINC000070984410 525660013 /nfs/dbraw/zinc/66/00/13/525660013.db2.gz SYKNKMCJEDZOAB-RKDXNWHRSA-N 0 0 268.332 3.833 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CCc2c[nH]c3ccccc23)o1 ZINC000069722607 525693446 /nfs/dbraw/zinc/69/34/46/525693446.db2.gz QMZOOFQTHCBLMC-CYBMUJFWSA-N 0 0 296.370 3.879 10 0 CHAERN C[C@@H](Nc1ccc(N)nc1)c1ccc(Br)cc1 ZINC000049525077 525706520 /nfs/dbraw/zinc/70/65/20/525706520.db2.gz IFVVDOCKRIERPH-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2)o1 ZINC000057465504 525714079 /nfs/dbraw/zinc/71/40/79/525714079.db2.gz ALBBNDMNJHKJHO-KGLIPLIRSA-N 0 0 287.359 3.541 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2coc3ccccc23)o1 ZINC000113148389 525720250 /nfs/dbraw/zinc/72/02/50/525720250.db2.gz AOYPWTQZKFDMEW-LLVKDONJSA-N 0 0 269.300 3.825 10 0 CHAERN C[C@@H](Nc1cncc(Cl)n1)c1ccc(Cl)cc1 ZINC000054917763 525723284 /nfs/dbraw/zinc/72/32/84/525723284.db2.gz GFXMYTFHKQATIK-MRVPVSSYSA-N 0 0 268.147 3.957 10 0 CHAERN Cc1ccc([C@@H](O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000062949565 525782191 /nfs/dbraw/zinc/78/21/91/525782191.db2.gz PZDNQQQFWZNXKQ-AWEZNQCLSA-N 0 0 282.170 3.973 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)o1 ZINC000127964908 525801622 /nfs/dbraw/zinc/80/16/22/525801622.db2.gz QROVTLJPEDIJJM-GJZGRUSLSA-N 0 0 273.376 3.998 10 0 CHAERN C[C@@H](O)c1ccc(-n2cnc3ccccc32)c(Cl)c1 ZINC000061697200 525866739 /nfs/dbraw/zinc/86/67/39/525866739.db2.gz RCVSVHAKRVZKII-SNVBAGLBSA-N 0 0 272.735 3.732 10 0 CHAERN C[C@@H](O)c1ccc(N(CC(F)(F)F)C2CC2)c(Cl)c1 ZINC000061696807 525868254 /nfs/dbraw/zinc/86/82/54/525868254.db2.gz MHNVGORLEQPITK-MRVPVSSYSA-N 0 0 293.716 3.924 10 0 CHAERN C[C@@H](O)c1ccccc1NCc1ccc(Cl)o1 ZINC000049542794 525875032 /nfs/dbraw/zinc/87/50/32/525875032.db2.gz IQPKVXZXRDGNGL-SECBINFHSA-N 0 0 251.713 3.598 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2c(F)cccc2F)o1 ZINC000128873166 525906142 /nfs/dbraw/zinc/90/61/42/525906142.db2.gz OUAMAVPAKDVMDS-MNOVXSKESA-N 0 0 293.313 3.847 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)o1 ZINC000247877357 525909063 /nfs/dbraw/zinc/90/90/63/525909063.db2.gz ARSSOMJKSQXRDW-CQDKDKBSSA-N 0 0 287.334 3.708 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(C)cc2F)o1 ZINC000094203889 525911185 /nfs/dbraw/zinc/91/11/85/525911185.db2.gz IMXPXQJJRJZKLS-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(C)nc2)o1 ZINC000127407152 525991974 /nfs/dbraw/zinc/99/19/74/525991974.db2.gz KMUVQTLUVGMCOX-MRXNPFEDSA-N 0 0 298.386 3.588 10 0 CHAERN COc1cccc(C[C@@H](O)c2ccc(Cl)cc2F)c1 ZINC000062140843 526073855 /nfs/dbraw/zinc/07/38/55/526073855.db2.gz NVOBLOUHTRULDZ-OAHLLOKOSA-N 0 0 280.726 3.764 10 0 CHAERN COc1cccc(C[C@H](O)c2ccc(Cl)cc2F)c1 ZINC000062140840 526080667 /nfs/dbraw/zinc/08/06/67/526080667.db2.gz NVOBLOUHTRULDZ-HNNXBMFYSA-N 0 0 280.726 3.764 10 0 CHAERN CSc1cccc(NCCCOCC(F)(F)F)c1 ZINC000049312154 526139117 /nfs/dbraw/zinc/13/91/17/526139117.db2.gz LFJGYQRAIOXRNA-UHFFFAOYSA-N 0 0 279.327 3.789 10 0 CHAERN C[C@H](C1CC1)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852678 526206663 /nfs/dbraw/zinc/20/66/63/526206663.db2.gz IGHKNUDYNQBLJH-SSDOTTSWSA-N 0 0 269.270 3.608 10 0 CHAERN Cc1cc(C(=O)CN2Cc3ccccc3C2)c(C)s1 ZINC000050911619 526208453 /nfs/dbraw/zinc/20/84/53/526208453.db2.gz CBAFNQJPCYKDRG-UHFFFAOYSA-N 0 0 271.385 3.563 10 0 CHAERN COc1cccc(Oc2ccc(Cl)cc2C(N)=S)c1 ZINC000052859261 526241435 /nfs/dbraw/zinc/24/14/35/526241435.db2.gz GSCPCXAOYJEXRJ-UHFFFAOYSA-N 0 0 293.775 3.775 10 0 CHAERN C[C@H]1CCCC[C@H]1Oc1ccc(C(N)=S)c(Cl)c1 ZINC000061850386 526262984 /nfs/dbraw/zinc/26/29/84/526262984.db2.gz MZKTUCCVEYKQDF-TVQRCGJNSA-N 0 0 283.824 3.932 10 0 CHAERN C[C@H]1CCCC[C@H]1Oc1cc(Cl)ccc1C(N)=S ZINC000062788636 526263131 /nfs/dbraw/zinc/26/31/31/526263131.db2.gz KYXIWYLLIKVDOS-JOYOIKCWSA-N 0 0 283.824 3.932 10 0 CHAERN Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)nn1-c1ccccc1 ZINC000103366351 526263242 /nfs/dbraw/zinc/26/32/42/526263242.db2.gz ZOQXZAYPYSHQRT-ZIAGYGMSSA-N 0 0 297.402 3.584 10 0 CHAERN Fc1c(Cl)cccc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518023 526292030 /nfs/dbraw/zinc/29/20/30/526292030.db2.gz POQUEGYRCVALBW-UHFFFAOYSA-N 0 0 293.516 3.715 10 0 CHAERN Cc1coc2ccc(NC(=O)N3CCS[C@@H](C)C3)cc12 ZINC000188009510 526294217 /nfs/dbraw/zinc/29/42/17/526294217.db2.gz PQSYAVXZAAMGDA-NSHDSACASA-N 0 0 290.388 3.710 10 0 CHAERN O[C@H](Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000055233558 526298127 /nfs/dbraw/zinc/29/81/27/526298127.db2.gz DVXOHUWHJPRANW-CQSZACIVSA-N 0 0 266.262 3.982 10 0 CHAERN O[C@H](c1ccccc1F)C1(c2ccccc2)CCC1 ZINC000062780911 526301383 /nfs/dbraw/zinc/30/13/83/526301383.db2.gz BNZXZCHCUMSFQG-MRXNPFEDSA-N 0 0 256.320 3.981 10 0 CHAERN O[C@H]1CCCCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703779 526302837 /nfs/dbraw/zinc/30/28/37/526302837.db2.gz XOWYYNWGBQEWBS-OLZOCXBDSA-N 0 0 274.282 3.994 10 0 CHAERN Cc1csc(C[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000055266896 526366960 /nfs/dbraw/zinc/36/69/60/526366960.db2.gz CRDPQWNOMCFLBT-OAHLLOKOSA-N 0 0 269.369 3.881 10 0 CHAERN Cc1nnc(N[C@@H](C)c2ccc(F)c(Cl)c2)s1 ZINC000077193184 526372384 /nfs/dbraw/zinc/37/23/84/526372384.db2.gz KALZJBUWDSZLGE-LURJTMIESA-N 0 0 271.748 3.812 10 0 CHAERN Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125227905 526473289 /nfs/dbraw/zinc/47/32/89/526473289.db2.gz GHWLCJYKIQTQMV-BMIGLBTASA-N 0 0 284.359 3.660 10 0 CHAERN O=C(c1cccs1)c1cccc(OC(F)(F)F)c1 ZINC000061703283 526838393 /nfs/dbraw/zinc/83/83/93/526838393.db2.gz SBKZXRUBXGPMKC-UHFFFAOYSA-N 0 0 272.247 3.878 10 0 CHAERN Clc1c2ocnc2cc(Br)c1Cl ZINC000062540412 526924699 /nfs/dbraw/zinc/92/46/99/526924699.db2.gz MKTOPWOLGUULST-UHFFFAOYSA-N 0 0 266.909 3.897 10 0 CHAERN O=C(c1occc1Br)N1CCCC12CCCC2 ZINC000365570773 526931282 /nfs/dbraw/zinc/93/12/82/526931282.db2.gz YPJSSGBZZWBNNH-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN Cc1nc(Cn2c3ccc(F)cc3[nH]c2=S)cs1 ZINC000049534145 526942556 /nfs/dbraw/zinc/94/25/56/526942556.db2.gz OSNNMMPXAYDIFS-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN O=C1CCCCCCN1Cc1cccc(Br)c1 ZINC000049600479 526969787 /nfs/dbraw/zinc/96/97/87/526969787.db2.gz KFAIPUZAOKZCJO-UHFFFAOYSA-N 0 0 296.208 3.742 10 0 CHAERN Cc1nc([C@H](C)Nc2cc(Br)ccn2)cs1 ZINC000309811517 527067752 /nfs/dbraw/zinc/06/77/52/527067752.db2.gz UHMQNQSTLJPHRY-ZETCQYMHSA-N 0 0 298.209 3.782 10 0 CHAERN NC(=S)c1ccc(Cl)cc1Nc1cc(F)ccc1F ZINC000062787919 527118782 /nfs/dbraw/zinc/11/87/82/527118782.db2.gz HBGZDZATDWNZBJ-UHFFFAOYSA-N 0 0 298.745 3.996 10 0 CHAERN O=C(Nc1ccc2c(c1)CCN2)c1ccc(Cl)cc1 ZINC000063188054 527275564 /nfs/dbraw/zinc/27/55/64/527275564.db2.gz CTYXEYMFDJAKPI-UHFFFAOYSA-N 0 0 272.735 3.560 10 0 CHAERN CC(C)(c1noc([C@H]2CCC[C@H](C(N)=O)C2)n1)C1CCC1 ZINC000333225935 527383235 /nfs/dbraw/zinc/38/32/35/527383235.db2.gz NCILAGOKAWQJJZ-QWRGUYRKSA-N 0 0 291.395 3.956 10 0 CHAERN Nc1n[nH]c(-c2ccc(F)cc2F)c1-c1cccs1 ZINC000052901265 527422423 /nfs/dbraw/zinc/42/24/23/527422423.db2.gz JHBOPMJHOGKYMY-UHFFFAOYSA-N 0 0 277.299 3.666 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)Cc1cccc(Cl)c1 ZINC000052944092 527451557 /nfs/dbraw/zinc/45/15/57/527451557.db2.gz DZJYTHJXKCDEHH-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN Nc1cc(Cl)ccc1COCc1cccs1 ZINC000050443709 527451802 /nfs/dbraw/zinc/45/18/02/527451802.db2.gz RXZAFNACYKDURE-UHFFFAOYSA-N 0 0 253.754 3.701 10 0 CHAERN Nc1cc(Cl)ccc1SCCOCC(F)(F)F ZINC000049311242 527452421 /nfs/dbraw/zinc/45/24/21/527452421.db2.gz WXKMZGNMZLANGQ-UHFFFAOYSA-N 0 0 285.718 3.593 10 0 CHAERN Nc1ccc(Cl)c(COCCc2cccs2)c1 ZINC000049585033 527485910 /nfs/dbraw/zinc/48/59/10/527485910.db2.gz MOIJOCIHPCKYPV-UHFFFAOYSA-N 0 0 267.781 3.743 10 0 CHAERN Nc1ccccc1CCOc1ccc(Br)cc1 ZINC000052918899 527525773 /nfs/dbraw/zinc/52/57/73/527525773.db2.gz IQGDOJJEPYDMIS-UHFFFAOYSA-N 0 0 292.176 3.653 10 0 CHAERN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000062708096 527570289 /nfs/dbraw/zinc/57/02/89/527570289.db2.gz PQNVMGWEDMPXCG-LQDVMPOASA-N 0 0 293.794 3.558 10 0 CHAERN Cc1nn(C)c(C)c1NCc1csc2ccccc12 ZINC000054462660 527650691 /nfs/dbraw/zinc/65/06/91/527650691.db2.gz JGBNEIZSBYTGCK-UHFFFAOYSA-N 0 0 271.389 3.864 10 0 CHAERN O[C@@H](Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000049598524 527664241 /nfs/dbraw/zinc/66/42/41/527664241.db2.gz KCZDYYORXQAVON-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1ccc(F)c(F)c1F ZINC000061838186 527665095 /nfs/dbraw/zinc/66/50/95/527665095.db2.gz VWHSNRBQUGWGHG-LBPRGKRZSA-N 0 0 270.225 3.519 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(Br)cc1 ZINC000087406663 527697343 /nfs/dbraw/zinc/69/73/43/527697343.db2.gz DREPFRZIKMVNIB-SECBINFHSA-N 0 0 294.196 3.664 10 0 CHAERN CCCc1nnc(SCc2oc(C(C)C)nc2C)o1 ZINC000333336936 528780553 /nfs/dbraw/zinc/78/05/53/528780553.db2.gz ZMEKQOBHRURYAK-UHFFFAOYSA-N 0 0 281.381 3.734 10 0 CHAERN CC1(C)CC=C(c2nc(-c3cncs3)no2)CC1 ZINC000333583973 528892547 /nfs/dbraw/zinc/89/25/47/528892547.db2.gz BDEBRKOYJCGOJW-UHFFFAOYSA-N 0 0 261.350 3.787 10 0 CHAERN COc1ccc2c(c1)Sc1ccccc1N2C(C)=O ZINC000000484723 537003422 /nfs/dbraw/zinc/00/34/22/537003422.db2.gz KXQAIWRBDQKTGI-UHFFFAOYSA-N 0 0 271.341 3.844 10 0 CHAERN CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243013 570254997 /nfs/dbraw/zinc/25/49/97/570254997.db2.gz FQDAVXCSUZNRQP-SSDOTTSWSA-N 0 0 291.704 3.990 10 0 CHAERN CSc1nc(-c2cc(Cl)cc(Cl)c2)cc(=O)[nH]1 ZINC000409433241 570245010 /nfs/dbraw/zinc/24/50/10/570245010.db2.gz ZANPCWFVOBPCNC-UHFFFAOYSA-N 0 0 287.171 3.878 10 0 CHAERN CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC1 ZINC000675059165 570365467 /nfs/dbraw/zinc/36/54/67/570365467.db2.gz AJASNCMSFPRBMJ-PIOWNMBXSA-N 0 0 281.440 3.539 10 0 CHAERN CC(C)(C)OC(=O)N1CCC(=C(F)Br)CC1 ZINC000166354997 570384672 /nfs/dbraw/zinc/38/46/72/570384672.db2.gz IHKPJXGJMVFODG-UHFFFAOYSA-N 0 0 294.164 3.593 10 0 CHAERN FC(F)(F)Oc1ccc(/C=C/Br)cc1 ZINC000685963945 570407123 /nfs/dbraw/zinc/40/71/23/570407123.db2.gz JDAHCBONWDCZMN-AATRIKPKSA-N 0 0 267.044 3.951 10 0 CHAERN C[C@H]1CC[C@@](O)(c2ccccc2Br)CS1 ZINC000521401879 570340385 /nfs/dbraw/zinc/34/03/85/570340385.db2.gz SCYGLWVKKBFGFW-CABZTGNLSA-N 0 0 287.222 3.552 10 0 CHAERN Clc1noc2cc(Br)c(Cl)cc12 ZINC000238556216 566968312 /nfs/dbraw/zinc/96/83/12/566968312.db2.gz LZZSVKJBXLCBDK-UHFFFAOYSA-N 0 0 266.909 3.897 10 0 CHAERN C[C@@H]1CO[C@]2(C1)OC(=O)c1c2ccc2c1CCCC2(C)C ZINC000013411134 567019466 /nfs/dbraw/zinc/01/94/66/567019466.db2.gz HUTQFIYQAWCICW-BBATYDOGSA-N 0 0 286.371 3.680 10 0 biogenic CHAERN Cc1cc2ccc3c(c2cc(O)c1=O)CCCC3(C)C ZINC000014690253 567025609 /nfs/dbraw/zinc/02/56/09/567025609.db2.gz QATRODNHXVHGNU-UHFFFAOYSA-N 0 0 268.356 3.828 10 0 biogenic CHAERN COC(OC)[C@H](C)Sc1cccc(Br)c1 ZINC000616574397 567213618 /nfs/dbraw/zinc/21/36/18/567213618.db2.gz ZWHFVZPZBHQMTM-QMMMGPOBSA-N 0 0 291.210 3.549 10 0 CHAERN C[C@@]12CC[C@@H]3c4ccc(N)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000001041245 567835601 /nfs/dbraw/zinc/83/56/01/567835601.db2.gz UNBVZLXCQDVEGX-MUQADHOPSA-N 0 0 269.388 3.694 10 0 CHAERN Cc1ccc(NCC(F)(F)F)c(Br)c1 ZINC000020039841 567845545 /nfs/dbraw/zinc/84/55/45/567845545.db2.gz XOKSJWKURIENOD-UHFFFAOYSA-N 0 0 268.076 3.732 10 0 CHAERN CCOC(=O)c1cc(-c2ccccc2Cl)nnc1Cl ZINC000259896847 567884445 /nfs/dbraw/zinc/88/44/45/567884445.db2.gz ASYHVAGTFDJALE-UHFFFAOYSA-N 0 0 297.141 3.627 10 0 CHAERN O=C(c1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000034403957 567887765 /nfs/dbraw/zinc/88/77/65/567887765.db2.gz DRIKHOZQBVFKPA-UHFFFAOYSA-N 0 0 259.308 3.980 10 0 CHAERN COc1cc(/C=C/C(=O)OC(C)(C)C)cc(Cl)c1OC ZINC000405984131 567892597 /nfs/dbraw/zinc/89/25/97/567892597.db2.gz OKUMMPQXDPFICW-VOTSOKGWSA-N 0 0 298.766 3.712 10 0 CHAERN CC(C)Oc1cccc(CNCc2nc3ccccc3[nH]2)c1 ZINC000057353419 567894869 /nfs/dbraw/zinc/89/48/69/567894869.db2.gz NUJGXLWCSQAGDI-UHFFFAOYSA-N 0 0 295.386 3.640 10 0 CHAERN CCOC(=O)c1ncc(-c2ccc3ccccc3c2)o1 ZINC000409428860 567899715 /nfs/dbraw/zinc/89/97/15/567899715.db2.gz PIGNDSFXWHHTBU-UHFFFAOYSA-N 0 0 267.284 3.672 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2C[C@H]2C2CC2)o1 ZINC000299746879 567901437 /nfs/dbraw/zinc/90/14/37/567901437.db2.gz BNERKZPRJDEXLZ-RVMXOQNASA-N 0 0 276.380 3.502 10 0 CHAERN Fc1ncc(Cl)cc1-c1ccc(C(F)F)nc1 ZINC000725241393 567907770 /nfs/dbraw/zinc/90/77/70/567907770.db2.gz PKJZGWZMFJAXQG-UHFFFAOYSA-N 0 0 258.630 3.874 10 0 CHAERN CCCCCc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725244924 567908318 /nfs/dbraw/zinc/90/83/18/567908318.db2.gz BSAQOFKNIJMSEW-UHFFFAOYSA-N 0 0 263.772 3.993 10 0 CHAERN CCc1ccc2c(c1)[C@H](CC(=O)OC(C)(C)C)CCN2 ZINC000725253758 567911504 /nfs/dbraw/zinc/91/15/04/567911504.db2.gz KBCQBYSUXVUSSX-ZDUSSCGKSA-N 0 0 275.392 3.880 10 0 CHAERN CN1CCC(C)(C)c2ccc(Br)cc21 ZINC000098180725 567911657 /nfs/dbraw/zinc/91/16/57/567911657.db2.gz RLEQNPQAMRXNPT-UHFFFAOYSA-N 0 0 254.171 3.567 10 0 CHAERN C[C@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)N(Cc3ccccc3)C[C@@H]12 ZINC000725262411 567922530 /nfs/dbraw/zinc/92/25/30/567922530.db2.gz MBZQOSXXZZQCON-GRGSLBFTSA-N 0 0 291.394 3.695 10 0 CHAERN C[C@@H]1CCn2cc(-c3cccc(Br)c3)nc2C1 ZINC000258386946 567931005 /nfs/dbraw/zinc/93/10/05/567931005.db2.gz MZFUZJJXBJYQGN-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN CC(C)(C)c1nc2[nH]cc(Br)c2c(Cl)n1 ZINC000575631028 570228686 /nfs/dbraw/zinc/22/86/86/570228686.db2.gz JGISYDFGQQXJGW-UHFFFAOYSA-N 0 0 288.576 3.623 10 0 CHAERN CNc1ncc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000584881023 570229078 /nfs/dbraw/zinc/22/90/78/570229078.db2.gz LUUJPQUQGRPDLY-UHFFFAOYSA-N 0 0 270.229 3.948 10 0 CHAERN OC1(c2cccc(Br)c2)CCCCC1 ZINC000114944161 570236813 /nfs/dbraw/zinc/23/68/13/570236813.db2.gz GIVQHOPDYRZYGD-UHFFFAOYSA-N 0 0 255.155 3.601 10 0 CHAERN Cc1cc2nn([C@H]3CCCCO3)cc2cc1Br ZINC000087493384 570254163 /nfs/dbraw/zinc/25/41/63/570254163.db2.gz UOQGAUJMKPUKJT-CYBMUJFWSA-N 0 0 295.180 3.806 10 0 CHAERN CCCC[C@@H](C)c1nc2cc(CCC)cc(O)n2n1 ZINC000725243061 570254898 /nfs/dbraw/zinc/25/48/98/570254898.db2.gz HZNDAOULRCMZOG-LLVKDONJSA-N 0 0 261.369 3.681 10 0 CHAERN CCCCCc1nc2cc(C)c(C)c(Br)n2n1 ZINC000725248267 570256145 /nfs/dbraw/zinc/25/61/45/570256145.db2.gz PUQKKTVJZJETCH-UHFFFAOYSA-N 0 0 296.212 3.841 10 0 CHAERN Cc1ccc(-c2cc(Br)ncn2)cc1C ZINC000160928451 570301268 /nfs/dbraw/zinc/30/12/68/570301268.db2.gz WMSQCLHNLXEBBZ-UHFFFAOYSA-N 0 0 263.138 3.523 10 0 CHAERN COc1ccc(Cl)cc1-c1cc(Br)ncn1 ZINC000160922170 570301397 /nfs/dbraw/zinc/30/13/97/570301397.db2.gz YSUNZGOBEYPCCU-UHFFFAOYSA-N 0 0 299.555 3.568 10 0 CHAERN COC(CSc1cc(Cl)cc(Cl)c1)OC ZINC000144760658 570319415 /nfs/dbraw/zinc/31/94/15/570319415.db2.gz WRFUAQYDLZOKPE-UHFFFAOYSA-N 0 0 267.177 3.704 10 0 CHAERN CCC[C@]1(C)C(=O)[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384203 570352876 /nfs/dbraw/zinc/35/28/76/570352876.db2.gz QDDUWRUCAKPVDV-XNJGSVPQSA-N 0 0 295.423 3.781 10 0 CHAERN CCOC(=O)c1sc(C=O)cc1C(CC)CC ZINC000675057449 570364724 /nfs/dbraw/zinc/36/47/24/570364724.db2.gz GOUCNIDRKKWWFH-UHFFFAOYSA-N 0 0 254.351 3.641 10 0 CHAERN Cc1sc(-c2cncc(C=O)c2)cc1Br ZINC000675058166 570365071 /nfs/dbraw/zinc/36/50/71/570365071.db2.gz VHFGFCQBTRLWIH-UHFFFAOYSA-N 0 0 282.162 3.694 10 0 CHAERN C[C@@H]1CCC[C@@](O)(c2cccc(Br)c2)C1 ZINC000675059283 570365403 /nfs/dbraw/zinc/36/54/03/570365403.db2.gz MNRIEKBOSLAIHL-MFKMUULPSA-N 0 0 269.182 3.847 10 0 CHAERN CC(=O)c1cccc(-c2cc(C)c(C=O)cc2C)c1 ZINC000675073155 570366966 /nfs/dbraw/zinc/36/69/66/570366966.db2.gz SOAMAQZCCHIEBF-UHFFFAOYSA-N 0 0 252.313 3.986 10 0 CHAERN CCC(CC)N=[S@](=O)(c1cccc(N)c1)N(CC)CC ZINC000675074651 570367417 /nfs/dbraw/zinc/36/74/17/570367417.db2.gz HDIQWVVDTVBYFZ-HXUWFJFHSA-N 0 0 297.468 3.541 10 0 CHAERN CCC(C)(C)[C@@H]1CCc2[nH]nc(Br)c2C1 ZINC000685952836 570406101 /nfs/dbraw/zinc/40/61/01/570406101.db2.gz QOZBLJMZGLPIAJ-MRVPVSSYSA-N 0 0 271.202 3.713 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/Br)C1 ZINC000606297548 570408249 /nfs/dbraw/zinc/40/82/49/570408249.db2.gz FLNFDZGTFAYIGI-FGEFZZPRSA-N 0 0 290.201 3.542 10 0 CHAERN CCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960588 570406817 /nfs/dbraw/zinc/40/68/17/570406817.db2.gz SVNNJPPLASEOCY-UHFFFAOYSA-N 0 0 291.391 3.793 10 0 CHAERN CC(C)C[C@@H](C)CC(=O)CNC(=O)OCc1ccccc1 ZINC000405873540 570411409 /nfs/dbraw/zinc/41/14/09/570411409.db2.gz CZCUGMUEPNWBEG-CQSZACIVSA-N 0 0 291.391 3.554 10 0 CHAERN C=CCS[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000389382247 570413264 /nfs/dbraw/zinc/41/32/64/570413264.db2.gz QVCPYNLCBRHYCZ-SECBINFHSA-N 0 0 285.206 3.940 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccncc2)CC(C)(C)C1 ZINC000183048672 728638254 /nfs/dbraw/zinc/63/82/54/728638254.db2.gz BSNCFQLPVDSKTE-UKRRQHHQSA-N 0 0 274.408 3.502 10 0 CHAERN Cc1cc([C@@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)c(C)o1 ZINC000689151547 976234684 /nfs/dbraw/zinc/23/46/84/976234684.db2.gz VKFJDMKEVLLEMI-SECBINFHSA-N 0 0 279.361 3.507 10 0 CHAERN Cc1cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000692494896 976511457 /nfs/dbraw/zinc/51/14/57/976511457.db2.gz LAKOLVBYUCFWIR-UHFFFAOYSA-N 0 0 289.400 3.533 10 0 CHAERN CCOCCC(=O)Oc1ccccc1SC(F)(F)F ZINC000102853564 1122953080 /nfs/dbraw/zinc/95/30/80/1122953080.db2.gz XADZFEQWFNDIMX-UHFFFAOYSA-N 0 0 294.294 3.631 10 0 CHAERN C[C@@H](NC(=O)N1CCCC1(C)C)c1cccc(Cl)c1 ZINC000102958302 1123595459 /nfs/dbraw/zinc/59/54/59/1123595459.db2.gz QWYROUMWXGTLGE-LLVKDONJSA-N 0 0 280.799 3.985 10 0 CHAERN COc1ccc(CC(=O)Oc2ccc(C(C)C)cc2)cc1 ZINC000000504899 1125566927 /nfs/dbraw/zinc/56/69/27/1125566927.db2.gz OVVFMAJXPYFGCR-UHFFFAOYSA-N 0 0 284.355 3.967 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccnc(Cl)c2)cs1 ZINC000189786390 1126934976 /nfs/dbraw/zinc/93/49/76/1126934976.db2.gz VUMWWQUFNHEWTI-ZDUSSCGKSA-N 0 0 293.823 3.837 10 0 CHAERN Cc1nc(Cl)cc(-c2c(F)cccc2Cl)n1 ZINC000409431959 1118545184 /nfs/dbraw/zinc/54/51/84/1118545184.db2.gz SBDMEYYSMDESOI-UHFFFAOYSA-N 0 0 257.095 3.898 10 0 CHAERN C/C(=C/C(=O)OCCC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000588448806 1118788283 /nfs/dbraw/zinc/78/82/83/1118788283.db2.gz JGAKGLZJQULNKQ-AHKFDXCISA-N 0 0 292.350 3.731 10 0 CHAERN C[C@@H]1CC(OC(=O)CC/C=C\c2ccccc2)C[C@@H](C)O1 ZINC000588449133 1118789915 /nfs/dbraw/zinc/78/99/15/1118789915.db2.gz XGIRATDDYIXBSN-XCTAYMRMSA-N 0 0 288.387 3.979 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc2c(c1)CCC2 ZINC000588451311 1118797902 /nfs/dbraw/zinc/79/79/02/1118797902.db2.gz DXMWOAQTDKDZRX-KTKRTIGZSA-N 0 0 278.355 3.531 10 0 CHAERN Cc1cccnc1/C=C\C(=O)NC(C)(C)CC(C)(C)C ZINC000588451747 1118798000 /nfs/dbraw/zinc/79/80/00/1118798000.db2.gz XBPUIVGVNVDMSC-KTKRTIGZSA-N 0 0 274.408 3.734 10 0 CHAERN CCN(C(=O)/C=C\c1ncccc1C)c1cccc(F)c1 ZINC000588451794 1118798508 /nfs/dbraw/zinc/79/85/08/1118798508.db2.gz QOSUTFJAUWQSNT-KTKRTIGZSA-N 0 0 284.334 3.595 10 0 CHAERN CCC(C)(C)[C@@H]1CCCN1C(=O)/C=C\c1ncccc1C ZINC000588453605 1118799718 /nfs/dbraw/zinc/79/97/18/1118799718.db2.gz XKKWUWJUOOMYLT-SNGWPZLWSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@H](C)c1cccc(F)c1 ZINC000588453328 1118800610 /nfs/dbraw/zinc/80/06/10/1118800610.db2.gz AXGKKESAXKISCE-LJTDUEICSA-N 0 0 285.318 3.847 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CCCO1 ZINC000102614172 1118946658 /nfs/dbraw/zinc/94/66/58/1118946658.db2.gz UPFDCIFKXUGNOY-OAHLLOKOSA-N 0 0 295.810 3.648 10 0 CHAERN CC(=CC(C)(C)C)C(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000588506014 1119017868 /nfs/dbraw/zinc/01/78/68/1119017868.db2.gz VUTHXYMYXFNLGQ-KTKRTIGZSA-N 0 0 271.364 3.802 10 0 CHAERN CC(=O)c1cccc(OC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000588507485 1119035372 /nfs/dbraw/zinc/03/53/72/1119035372.db2.gz PFMCTBPDFLQKCI-KHPPLWFESA-N 0 0 260.333 3.787 10 0 CHAERN COCc1cccc(OC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000588508543 1119037121 /nfs/dbraw/zinc/03/71/21/1119037121.db2.gz QEDXBCHJMIVCGV-BENRWUELSA-N 0 0 262.349 3.731 10 0 CHAERN Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)sc1C ZINC000336366303 1119048268 /nfs/dbraw/zinc/04/82/68/1119048268.db2.gz VEPFXJKGGXVRAI-CQSZACIVSA-N 0 0 292.448 3.656 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)Nc1ncnc2oc(C)c(C)c21 ZINC000588513953 1119054776 /nfs/dbraw/zinc/05/47/76/1119054776.db2.gz FUIUQVCYOOYHNS-CLFYSBASSA-N 0 0 287.363 3.771 10 0 CHAERN CSCCCCCOC(=O)/C=C\c1scnc1C ZINC000588522415 1119092907 /nfs/dbraw/zinc/09/29/07/1119092907.db2.gz JXCBKCKPMQOCCM-SREVYHEPSA-N 0 0 285.434 3.541 10 0 CHAERN C/C=C(/C)C(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000588585000 1119425797 /nfs/dbraw/zinc/42/57/97/1119425797.db2.gz NOPPNTSQKGOYKA-BASWHVEKSA-N 0 0 285.309 3.934 10 0 CHAERN CSC1(CNC(=O)/C(C)=C\c2ccc(F)cc2)CCC1 ZINC000588610748 1119576047 /nfs/dbraw/zinc/57/60/47/1119576047.db2.gz CXFQHPBMWCYGGF-BENRWUELSA-N 0 0 293.407 3.631 10 0 CHAERN C[C@@H]1CC(c2noc(-c3cccnc3)n2)C[C@@H](C)C1 ZINC000408225193 1120949351 /nfs/dbraw/zinc/94/93/51/1120949351.db2.gz IXRBFOFHXVSHGA-QWRGUYRKSA-N 0 0 257.337 3.671 10 0 CHAERN CC(C)(C)SCC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000101825518 1122857828 /nfs/dbraw/zinc/85/78/28/1122857828.db2.gz MDMTYRDANBTQMT-UHFFFAOYSA-N 0 0 292.326 3.571 10 0 CHAERN C[C@H](OC(=O)C1CCC1)c1cnc2ccccc2c1 ZINC000102133390 1122885642 /nfs/dbraw/zinc/88/56/42/1122885642.db2.gz JVALFYINKGZCSN-NSHDSACASA-N 0 0 255.317 3.639 10 0 CHAERN Cc1cc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)ccc1F ZINC000105414423 1123051341 /nfs/dbraw/zinc/05/13/41/1123051341.db2.gz RVZJTOMIZGAQCA-AWEZNQCLSA-N 0 0 290.725 3.642 10 0 CHAERN C[C@H](CC(=O)OCCc1cccnc1)c1ccccc1F ZINC000105558073 1123055793 /nfs/dbraw/zinc/05/57/93/1123055793.db2.gz AUNIWVNDXCRWRK-CYBMUJFWSA-N 0 0 287.334 3.500 10 0 CHAERN Cc1ccc2c(c1)CCCN2Cc1nc(-c2ccoc2)no1 ZINC000105607484 1123058970 /nfs/dbraw/zinc/05/89/70/1123058970.db2.gz KUEZQOCYLCFMRY-UHFFFAOYSA-N 0 0 295.342 3.591 10 0 CHAERN CCOCCO[C@H](C)C(=O)Oc1ccc([C@H](C)CC)cc1 ZINC000105755256 1123066306 /nfs/dbraw/zinc/06/63/06/1123066306.db2.gz QCHJIJFVDMTRHD-ZIAGYGMSSA-N 0 0 294.391 3.547 10 0 CHAERN CC/C=C(/C)C(=O)Oc1ccccc1OCC(F)(F)F ZINC000105770649 1123070259 /nfs/dbraw/zinc/07/02/59/1123070259.db2.gz XLTMASMQCSHGBU-POHAHGRESA-N 0 0 288.265 3.889 10 0 CHAERN CC[C@H](COC(=O)c1cc(C(C)=O)cn1C)c1ccccc1 ZINC000105775656 1123070787 /nfs/dbraw/zinc/07/07/87/1123070787.db2.gz RFFYDAOZSJIMOT-CQSZACIVSA-N 0 0 299.370 3.578 10 0 CHAERN C[C@@H](NC(=O)N1CC[C@H](C)C[C@@H](C)C1)c1cccc(O)c1 ZINC000191020579 1123320787 /nfs/dbraw/zinc/32/07/87/1123320787.db2.gz GYSDYOWRGOTQTP-BFHYXJOUSA-N 0 0 290.407 3.531 10 0 CHAERN C[C@H]1CC(c2noc(C[C@@H]3CCCC(=O)N3)n2)C[C@H](C)C1 ZINC000329561532 1123624228 /nfs/dbraw/zinc/62/42/28/1123624228.db2.gz GETWGAPVCMRDTL-WZRBSPASSA-N 0 0 291.395 3.661 10 0 CHAERN C[C@H]1CC(c2noc(Cc3cncs3)n2)C[C@H](C)C1 ZINC000329596139 1123629199 /nfs/dbraw/zinc/62/91/99/1123629199.db2.gz PBVZUQMNJKKXPE-NXEZZACHSA-N 0 0 277.393 3.657 10 0 CHAERN CC1(C)C[C@@H]1c1noc(-c2noc3c2CCCCC3)n1 ZINC000329757836 1123652295 /nfs/dbraw/zinc/65/22/95/1123652295.db2.gz NFYZQFBKCSTPDE-SNVBAGLBSA-N 0 0 273.336 3.507 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(F)c3)c21 ZINC000103129909 1123783885 /nfs/dbraw/zinc/78/38/85/1123783885.db2.gz VYXGJGGFLXLOOK-UHFFFAOYSA-N 0 0 296.345 3.588 10 0 CHAERN Cn1cc(-c2cccc(CNc3ccnc(Cl)c3)c2)cn1 ZINC000301886406 1123940757 /nfs/dbraw/zinc/94/07/57/1123940757.db2.gz OYNGQNVBSFSHEW-UHFFFAOYSA-N 0 0 298.777 3.748 10 0 CHAERN Fc1ccc(F)c([C@H]2CCCN(Cc3cscn3)C2)c1 ZINC000191674522 1125326717 /nfs/dbraw/zinc/32/67/17/1125326717.db2.gz SSNHCXHTTNPBQS-NSHDSACASA-N 0 0 294.370 3.801 10 0 CHAERN CO[C@H](C)c1cccc(NC(=O)CCCc2ccccn2)c1 ZINC000104887087 1125420227 /nfs/dbraw/zinc/42/02/27/1125420227.db2.gz YZBAPVFNHQDAEJ-CQSZACIVSA-N 0 0 298.386 3.750 10 0 CHAERN Cc1oc2ccc(NC(=O)N[C@H]3C[C@@H]3C)cc2c1C ZINC000186455111 1129633640 /nfs/dbraw/zinc/63/36/40/1129633640.db2.gz ZDZMOWTZYMCPMI-SDBXPKJASA-N 0 0 258.321 3.580 10 0 CHAERN CC(C)=CC(=O)O[C@H](c1ccccc1)c1cccnc1 ZINC000102968911 1129673982 /nfs/dbraw/zinc/67/39/82/1129673982.db2.gz PWLIBTCWOJOXRT-QGZVFWFLSA-N 0 0 267.328 3.680 10 0 CHAERN Cc1ccc(C(C)C)c(OC(=O)c2cscn2)c1 ZINC000103329484 1129747816 /nfs/dbraw/zinc/74/78/16/1129747816.db2.gz ARCZBRGNXCBHTB-UHFFFAOYSA-N 0 0 261.346 3.794 10 0 CHAERN CN(C)C(=O)c1cccc(OC(=O)CCCC(C)(C)C)c1 ZINC000103378929 1129755400 /nfs/dbraw/zinc/75/54/00/1129755400.db2.gz MXDDMYNPHQKOGT-UHFFFAOYSA-N 0 0 291.391 3.510 10 0 CHAERN COCCc1ccc(OC(=O)CCc2ccccc2C)cc1 ZINC000103637278 1131856384 /nfs/dbraw/zinc/85/63/84/1131856384.db2.gz XXPLTRFYQOOLMO-UHFFFAOYSA-N 0 0 298.382 3.722 10 0 CHAERN CC(C)(C)COC(=O)Cc1csc(C(C)(C)C)n1 ZINC000103699749 1132275394 /nfs/dbraw/zinc/27/53/94/1132275394.db2.gz ZBFGDBMOQFTCMD-UHFFFAOYSA-N 0 0 269.410 3.572 10 0 CHAERN Brc1cnn2ccc(-c3ccccc3)cc12 ZINC000095642866 185017260 /nfs/dbraw/zinc/01/72/60/185017260.db2.gz ZUPUNVCVCLXJPU-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN CC(C)(C)Oc1nccc(OC2CC2)c1Br ZINC000095722477 185019728 /nfs/dbraw/zinc/01/97/28/185019728.db2.gz PWNQLCDBIFSATA-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN Fc1cc(Br)cnc1OCc1ccccc1 ZINC000095751518 185025516 /nfs/dbraw/zinc/02/55/16/185025516.db2.gz URBJSQWESJZBSG-UHFFFAOYSA-N 0 0 282.112 3.562 10 0 CHAERN CCc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2C)n1 ZINC000082509500 178076322 /nfs/dbraw/zinc/07/63/22/178076322.db2.gz QQZRTMQKLKHIRK-VHSXEESVSA-N 0 0 253.777 3.683 10 0 CHAERN Br/C=C/c1cccc(Br)c1 ZINC000095762491 185026558 /nfs/dbraw/zinc/02/65/58/185026558.db2.gz YMTNXAURZFGPPZ-SNAWJCMRSA-N 0 0 261.944 3.815 10 0 CHAERN CC(=O)[C@@H]1C[C@H](c2ccccc2)N(C(=O)OC(C)(C)C)C1 ZINC000095764187 185027309 /nfs/dbraw/zinc/02/73/09/185027309.db2.gz PMZNFGAQYHKKLO-HUUCEWRRSA-N 0 0 289.375 3.574 10 0 CHAERN Cc1cc(Nc2ccccc2C(F)(F)F)ncc1N ZINC000082573610 178113185 /nfs/dbraw/zinc/11/31/85/178113185.db2.gz YMUFJSIDJJHYGU-UHFFFAOYSA-N 0 0 267.254 3.735 10 0 CHAERN FC(F)(F)C(F)(F)[C@@]1(c2ccccc2)CCCCN1 ZINC000095918541 185030863 /nfs/dbraw/zinc/03/08/63/185030863.db2.gz WWLRITZRPVWXPB-NSHDSACASA-N 0 0 279.252 3.853 10 0 CHAERN CN1CCCC[C@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940650 185036746 /nfs/dbraw/zinc/03/67/46/185036746.db2.gz PZFWFQRWLOTEPA-GFCCVEGCSA-N 0 0 259.271 3.526 10 0 CHAERN CC[C@@H](O)c1c(C)cc(C)c(Br)c1C ZINC000083161596 178345820 /nfs/dbraw/zinc/34/58/20/178345820.db2.gz KLGUQGXJOXQCHQ-SNVBAGLBSA-N 0 0 257.171 3.818 10 0 CHAERN CCCOc1ccc([C@H](O)CC)cc1Br ZINC000083162872 178346369 /nfs/dbraw/zinc/34/63/69/178346369.db2.gz LLHQFILOXCJSRW-LLVKDONJSA-N 0 0 273.170 3.681 10 0 CHAERN CO[C@H](C)c1cccc(-c2c[nH]nc2-c2ccncc2)c1 ZINC000096133802 185104693 /nfs/dbraw/zinc/10/46/93/185104693.db2.gz GPDNPOAJRZXLBS-GFCCVEGCSA-N 0 0 279.343 3.846 10 0 CHAERN CC(=O)Oc1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000096675607 185109387 /nfs/dbraw/zinc/10/93/87/185109387.db2.gz JCOAVCISDDNSIV-UHFFFAOYSA-N 0 0 283.302 3.754 10 0 CHAERN Nc1ccc(-c2nc3ccccc3n2C2CC2)s1 ZINC000102029893 185768574 /nfs/dbraw/zinc/76/85/74/185768574.db2.gz YSAIZZQQXVKFDN-UHFFFAOYSA-N 0 0 255.346 3.682 10 0 CHAERN CCCCCc1sc(N)c(C(=O)NCCC)c1C ZINC000103281747 185825200 /nfs/dbraw/zinc/82/52/00/185825200.db2.gz DEUVRSMRZVYCOZ-UHFFFAOYSA-N 0 0 268.426 3.511 10 0 CHAERN Cc1cc(N)sc1-c1nnc(C)n1C1CCCCC1 ZINC000103750434 185857390 /nfs/dbraw/zinc/85/73/90/185857390.db2.gz LRTBWABRNYIJOH-UHFFFAOYSA-N 0 0 276.409 3.711 10 0 CHAERN Cc1nc(CNc2ccc(C)c(Br)c2)oc1C ZINC000103881818 185859382 /nfs/dbraw/zinc/85/93/82/185859382.db2.gz LYYGSCFIVLVQKF-UHFFFAOYSA-N 0 0 295.180 3.974 10 0 CHAERN CC(C)(C)CC(C)(C)n1c(Cl)nnc1C1CC1 ZINC000103916881 185859802 /nfs/dbraw/zinc/85/98/02/185859802.db2.gz AYGCXRMKTAMTNW-UHFFFAOYSA-N 0 0 255.793 3.980 10 0 CHAERN CC(C)c1nnc(Cl)n1-c1ccc(F)c(Cl)c1 ZINC000103918897 185861329 /nfs/dbraw/zinc/86/13/29/185861329.db2.gz ILOQNMCQWGXRDG-UHFFFAOYSA-N 0 0 274.126 3.837 10 0 CHAERN CCOc1cccc(N[C@H](C)c2sc(C)nc2C)n1 ZINC000104105589 185896678 /nfs/dbraw/zinc/89/66/78/185896678.db2.gz LYHYPFZJLDFNCP-SNVBAGLBSA-N 0 0 277.393 3.727 10 0 CHAERN COC[C@H](C)Nc1ccc(Cl)c(Br)c1 ZINC000087152778 179398315 /nfs/dbraw/zinc/39/83/15/179398315.db2.gz ZYDQXTQUGAAPGI-ZETCQYMHSA-N 0 0 278.577 3.549 10 0 CHAERN Nc1cc(F)c(OCc2ccc(Cl)cc2)cc1F ZINC000104140503 185908503 /nfs/dbraw/zinc/90/85/03/185908503.db2.gz XFOGPFWJANHSAA-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Cc1c2cnn([C@H]3CCCCO3)c2ccc1Br ZINC000087493376 179435315 /nfs/dbraw/zinc/43/53/15/179435315.db2.gz BLULUEKZLRADOB-CYBMUJFWSA-N 0 0 295.180 3.806 10 0 CHAERN Cc1csc(CCNc2ccc(N)cc2C(F)F)n1 ZINC000104206900 185930802 /nfs/dbraw/zinc/93/08/02/185930802.db2.gz WENINJUIIWAPJY-UHFFFAOYSA-N 0 0 283.347 3.626 10 0 CHAERN O=C(Cc1cc(F)ccc1F)c1cc(F)ccc1F ZINC000104239572 185939749 /nfs/dbraw/zinc/93/97/49/185939749.db2.gz YTZMEKKCKJPILV-UHFFFAOYSA-N 0 0 268.209 3.668 10 0 CHAERN Cc1cc2c(cc1Cl)ncn2C(=O)OC(C)(C)C ZINC000089194960 179750629 /nfs/dbraw/zinc/75/06/29/179750629.db2.gz NVCXTANCBZKVQI-UHFFFAOYSA-N 0 0 266.728 3.781 10 0 CHAERN Fc1ccc(-n2ncc3c2cccc3Br)cc1 ZINC000089196399 179751363 /nfs/dbraw/zinc/75/13/63/179751363.db2.gz ZKKVQOONHTWMRK-UHFFFAOYSA-N 0 0 291.123 3.927 10 0 CHAERN CCOC(=O)c1cc(Cl)c(Cl)nc1C(F)F ZINC000090470623 179988502 /nfs/dbraw/zinc/98/85/02/179988502.db2.gz AGVDWXBDXAPHJB-UHFFFAOYSA-N 0 0 270.062 3.503 10 0 CHAERN O=C(Nc1cc(C(F)(F)F)ccn1)Oc1ccccc1 ZINC000090636205 180016919 /nfs/dbraw/zinc/01/69/19/180016919.db2.gz UIXVBKDLPVSPHB-UHFFFAOYSA-N 0 0 282.221 3.711 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000090759603 180036962 /nfs/dbraw/zinc/03/69/62/180036962.db2.gz NIBAUFLJZPWHJZ-IBGZPJMESA-N 0 0 290.366 3.662 10 0 CHAERN C[C@@H](O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000091252071 180114340 /nfs/dbraw/zinc/11/43/40/180114340.db2.gz ZAMLJWRQAZAASU-RXMQYKEDSA-N 0 0 269.060 3.521 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H](SC(F)(F)F)C1 ZINC000091252866 180114619 /nfs/dbraw/zinc/11/46/19/180114619.db2.gz SELSKIXNXXXBHH-MRVPVSSYSA-N 0 0 285.331 3.639 10 0 CHAERN CC(C)(C)OC(=O)N1CC(c2ccc3ccccc3n2)C1 ZINC000091353142 180138290 /nfs/dbraw/zinc/13/82/90/180138290.db2.gz VOVSHHOOXWXYKX-UHFFFAOYSA-N 0 0 284.359 3.569 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCC2=O)OCc1ccccc1 ZINC000091368720 180143064 /nfs/dbraw/zinc/14/30/64/180143064.db2.gz QQXFQTFBSVAPPP-UHFFFAOYSA-N 0 0 295.338 3.954 10 0 CHAERN COc1cc(Cl)c(C(=O)C(F)(F)F)cc1Cl ZINC000105447644 186058116 /nfs/dbraw/zinc/05/81/16/186058116.db2.gz DXSWKEDHZZNPLS-UHFFFAOYSA-N 0 0 273.037 3.747 10 0 CHAERN Brc1ccccc1[C@@]12CCCC[C@@H]1O2 ZINC000299805379 200881386 /nfs/dbraw/zinc/88/13/86/200881386.db2.gz LFDBJYOWBFFESF-RYUDHWBXSA-N 0 0 253.139 3.617 10 0 CHAERN O=C(c1ccco1)c1sc(Cl)nc1C(F)(F)F ZINC000217010739 189708032 /nfs/dbraw/zinc/70/80/32/189708032.db2.gz QLZAUUUHSSRGOX-UHFFFAOYSA-N 0 0 281.642 3.639 10 0 CHAERN CNc1ccc(Cl)c(COc2ccc(C)c(C)c2)n1 ZINC000061640045 522624129 /nfs/dbraw/zinc/62/41/29/522624129.db2.gz JULGOCZXYURIRQ-UHFFFAOYSA-N 0 0 276.767 3.973 10 0 CHAERN Fc1cc2sc(Cl)nc2cc1Br ZINC000261507262 190040021 /nfs/dbraw/zinc/04/00/21/190040021.db2.gz GXGNSXRGBXCRSI-UHFFFAOYSA-N 0 0 266.522 3.851 10 0 CHAERN COC(=O)[C@H]1CC12CCC(C1CCCCC1)CC2 ZINC000261508259 190040082 /nfs/dbraw/zinc/04/00/82/190040082.db2.gz QXBCYMJVTLLOPI-NPCAHTBFSA-N 0 0 250.382 3.936 10 0 CHAERN O=C(c1c[nH]c2ccc(F)cc12)C(Cl)(Cl)Cl ZINC000261508992 190040545 /nfs/dbraw/zinc/04/05/45/190040545.db2.gz YWFOMRSWVDQVJN-UHFFFAOYSA-N 0 0 280.513 3.860 10 0 CHAERN Cc1ncc2c(c1O)CN(c1c(Cl)cccc1Cl)C2 ZINC000000015586 169506515 /nfs/dbraw/zinc/50/65/15/169506515.db2.gz QRRBOOSQPIYANZ-UHFFFAOYSA-N 0 0 295.169 3.923 10 0 CHAERN CC(=O)c1csc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116042606 260014696 /nfs/dbraw/zinc/01/46/96/260014696.db2.gz KLONLNFRCISRIJ-LBPRGKRZSA-N 0 0 289.356 3.521 10 0 CHAERN Brc1nn(Cc2ccccc2)c2ccccc12 ZINC000098181464 256840317 /nfs/dbraw/zinc/84/03/17/256840317.db2.gz DHBHSJONHUNOBH-UHFFFAOYSA-N 0 0 287.160 3.847 10 0 CHAERN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCN3)c1 ZINC000036895724 260049152 /nfs/dbraw/zinc/04/91/52/260049152.db2.gz QPHYZNVCXBGLTC-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN CCOC(=O)[C@H]1c2ccccc2N[C@@H]1c1ccccc1 ZINC000001436116 169705512 /nfs/dbraw/zinc/70/55/12/169705512.db2.gz CAMPJNZTAORCCJ-JKSUJKDBSA-N 0 0 267.328 3.500 10 0 CHAERN COc1ccccc1-c1csc(-n2cccc2)n1 ZINC000001519875 169711330 /nfs/dbraw/zinc/71/13/30/169711330.db2.gz DVYVCWMLBMHDRR-UHFFFAOYSA-N 0 0 256.330 3.609 10 0 CHAERN CCCn1ccc2cc(NC(=O)N[C@@H]3C[C@@H]3C)ccc21 ZINC000171404866 335064888 /nfs/dbraw/zinc/06/48/88/335064888.db2.gz IPTGWOUZWLTIGV-SMDDNHRTSA-N 0 0 271.364 3.581 10 0 CHAERN Cc1cc2c(nc(Cl)nc2N2CCC(C)CC2)s1 ZINC000036276734 134817888 /nfs/dbraw/zinc/81/78/88/134817888.db2.gz WIURICZFLQJKMK-UHFFFAOYSA-N 0 0 281.812 3.889 10 0 CHAERN Cc1cccc(NC(=O)N2CCSc3ccc(N)cc32)c1 ZINC000038051343 134853426 /nfs/dbraw/zinc/85/34/26/134853426.db2.gz MURPNJVNPFKNCM-UHFFFAOYSA-N 0 0 299.399 3.721 10 0 CHAERN Nc1ccc2c(c1)N(Cc1cccc(F)c1F)CCS2 ZINC000038051424 134854105 /nfs/dbraw/zinc/85/41/05/134854105.db2.gz FEFBSZDLXNVZAU-UHFFFAOYSA-N 0 0 292.354 3.659 10 0 CHAERN Cc1ccc([C@H](O)CN2CCCc3ccccc32)c(C)c1 ZINC000044120444 134908373 /nfs/dbraw/zinc/90/83/73/134908373.db2.gz JJHPYBOEMBINMQ-LJQANCHMSA-N 0 0 281.399 3.790 10 0 CHAERN Clc1ccccc1-n1cc(-c2ccccc2)nn1 ZINC000001731430 169752143 /nfs/dbraw/zinc/75/21/43/169752143.db2.gz ADERFGAHYOBOLL-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN CCOC(=O)Cc1ccc2nc(-c3ccccc3)oc2c1 ZINC000002005495 169767285 /nfs/dbraw/zinc/76/72/85/169767285.db2.gz NYRJACZZPCHARO-UHFFFAOYSA-N 0 0 281.311 3.600 10 0 CHAERN CCOP(=O)(CNc1ccc(Cl)cc1N)OCC ZINC000002243878 169783326 /nfs/dbraw/zinc/78/33/26/169783326.db2.gz PNZDVMGMHFOHOJ-UHFFFAOYSA-N 0 0 292.703 3.558 10 0 CHAERN c1cn2cc(CSC3CCCCC3)nc2s1 ZINC000003226016 169870053 /nfs/dbraw/zinc/87/00/53/169870053.db2.gz WAPZOKFBGWCMLV-UHFFFAOYSA-N 0 0 252.408 3.962 10 0 CHAERN Cc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1C ZINC000003536919 169894912 /nfs/dbraw/zinc/89/49/12/169894912.db2.gz CDGIUJWDPNVCKI-OAHLLOKOSA-N 0 0 294.398 3.693 10 0 CHAERN COc1cc(C=O)cc(Oc2cc(C)ccc2C)c1OC ZINC000004227086 169945898 /nfs/dbraw/zinc/94/58/98/169945898.db2.gz MLIUWNAILPWICA-UHFFFAOYSA-N 0 0 286.327 3.925 10 0 CHAERN CCc1ccc(Nc2nc3ccccc3n3cnnc23)cc1 ZINC000004823418 170023682 /nfs/dbraw/zinc/02/36/82/170023682.db2.gz CENOKQYWEGTLKW-UHFFFAOYSA-N 0 0 289.342 3.584 10 0 CHAERN Cc1ccc(Cc2nsc(NC(C)(C)C)n2)cc1 ZINC000004978757 170048012 /nfs/dbraw/zinc/04/80/12/170048012.db2.gz IGCIIPFRQIFBJS-UHFFFAOYSA-N 0 0 261.394 3.648 10 0 CHAERN CCC[C@H](c1ccc(OC)cc1)n1nnc2ccccc21 ZINC000005311098 170084857 /nfs/dbraw/zinc/08/48/57/170084857.db2.gz RJOWVTZELBPCQR-MRXNPFEDSA-N 0 0 281.359 3.829 10 0 CHAERN Clc1ccc(Nc2ccc(Br)cc2)nn1 ZINC000005331390 170086133 /nfs/dbraw/zinc/08/61/33/170086133.db2.gz MHLLLZNTXVZJPI-UHFFFAOYSA-N 0 0 284.544 3.636 10 0 CHAERN Cc1ccc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc1 ZINC000005396471 170094980 /nfs/dbraw/zinc/09/49/80/170094980.db2.gz VIMLBQGTSJXMCG-UHFFFAOYSA-N 0 0 290.366 3.575 10 0 CHAERN CCN(C(=O)c1ccccc1NC(C)=O)c1ccccc1C ZINC000005455707 170100633 /nfs/dbraw/zinc/10/06/33/170100633.db2.gz WXRBAJFXASMNPT-UHFFFAOYSA-N 0 0 296.370 3.620 10 0 CHAERN CCCCc1c2c(nc3c1CCC[C@H]3O)CCCC2 ZINC000005499267 170104828 /nfs/dbraw/zinc/10/48/28/170104828.db2.gz KASONYUJHMHLCL-MRXNPFEDSA-N 0 0 259.393 3.673 10 0 CHAERN Ic1ccc2[nH]c3c(c2c1)CCCC3 ZINC000005582985 170116055 /nfs/dbraw/zinc/11/60/55/170116055.db2.gz HATUATKVZAGXJO-UHFFFAOYSA-N 0 0 297.139 3.651 10 0 CHAERN NC(=S)CCOc1c(Cl)cc(Cl)cc1Cl ZINC000005592799 170117382 /nfs/dbraw/zinc/11/73/82/170117382.db2.gz RYDIBUIYMRCJKX-UHFFFAOYSA-N 0 0 284.595 3.702 10 0 CHAERN Fc1ccc(NCCSc2nc3ccccc3[nH]2)cc1 ZINC000005615260 170120287 /nfs/dbraw/zinc/12/02/87/170120287.db2.gz DMPNPLRETOVNJB-UHFFFAOYSA-N 0 0 287.363 3.906 10 0 CHAERN COP(=O)(OC)Oc1ccc(Cl)cc1Cl ZINC000005701253 170131063 /nfs/dbraw/zinc/13/10/63/170131063.db2.gz HQOXGGXIWGFFQY-UHFFFAOYSA-N 0 0 271.036 3.773 10 0 CHAERN CCOc1cccc(-c2nnc(-c3ccccc3C)[nH]2)c1 ZINC000005863649 170148037 /nfs/dbraw/zinc/14/80/37/170148037.db2.gz RTUMUTCJTDAUBX-UHFFFAOYSA-N 0 0 279.343 3.846 10 0 CHAERN O=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1F ZINC000006260757 170186161 /nfs/dbraw/zinc/18/61/61/170186161.db2.gz KBVJCDWXQBZOLS-CMDGGOBGSA-N 0 0 289.737 3.809 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000006301705 170189453 /nfs/dbraw/zinc/18/94/53/170189453.db2.gz PLYHKAOFQMPUCH-BUHFOSPRSA-N 0 0 280.371 3.795 10 0 CHAERN CC[C@@H](Oc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000006440624 170201438 /nfs/dbraw/zinc/20/14/38/170201438.db2.gz KKMLXPRUPXGJRE-MRXNPFEDSA-N 0 0 269.344 3.507 10 0 CHAERN CCSC[C@H]1COC(c2cn(CC)c3ccccc23)=N1 ZINC000006919870 170255392 /nfs/dbraw/zinc/25/53/92/170255392.db2.gz VXBSILFTONPHNO-GFCCVEGCSA-N 0 0 288.416 3.560 10 0 CHAERN O=C(CCCC(=O)c1ccccc1)Nc1ccc(F)cc1 ZINC000006946769 170257750 /nfs/dbraw/zinc/25/77/50/170257750.db2.gz GOQVFCVCHUOBTD-UHFFFAOYSA-N 0 0 285.318 3.817 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1C ZINC000007215253 170272330 /nfs/dbraw/zinc/27/23/30/170272330.db2.gz MYSPFHMSJIYFQG-INIZCTEOSA-N 0 0 281.355 3.557 10 0 CHAERN CCCC(=O)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC000007260868 170273655 /nfs/dbraw/zinc/27/36/55/170273655.db2.gz VYEYMAQEOOJICG-UHFFFAOYSA-N 0 0 281.355 3.965 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)c1cccnc1Cl ZINC000007264097 170274530 /nfs/dbraw/zinc/27/45/30/170274530.db2.gz AOWOJHDTOCOGAA-AWEZNQCLSA-N 0 0 286.762 3.542 10 0 CHAERN Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(C)c(F)c2)cc1 ZINC000007388797 170281876 /nfs/dbraw/zinc/28/18/76/170281876.db2.gz IJSYSMPUTIGJSZ-CYBMUJFWSA-N 0 0 286.350 3.882 10 0 CHAERN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000008162788 170322058 /nfs/dbraw/zinc/32/20/58/170322058.db2.gz JHZUOQIWPZFBDD-CYBMUJFWSA-N 0 0 287.334 3.849 10 0 CHAERN Cc1cccc(C)c1O[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000008162987 170322078 /nfs/dbraw/zinc/32/20/78/170322078.db2.gz BFYIEWJHSRCRLH-HNNXBMFYSA-N 0 0 295.382 3.660 10 0 CHAERN Cc1cccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000008276601 170328694 /nfs/dbraw/zinc/32/86/94/170328694.db2.gz SSCOBIJQPAFDBT-BJCHZKIZSA-N 0 0 257.377 3.703 10 0 CHAERN CC[C@@H]1CCc2c(sc3ncnc(Cl)c23)C1 ZINC000008326522 170331219 /nfs/dbraw/zinc/33/12/19/170331219.db2.gz YDDAEOUSSYPWIV-SSDOTTSWSA-N 0 0 252.770 3.860 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)N1CCCCCC1 ZINC000008548374 170339611 /nfs/dbraw/zinc/33/96/11/170339611.db2.gz RDBUCJBLNSDEJW-UHFFFAOYSA-N 0 0 286.350 3.699 10 0 CHAERN Cc1ccc(C2=NN[C@H](c3ccc(C)cc3)C2)cc1 ZINC000008550456 170339838 /nfs/dbraw/zinc/33/98/38/170339838.db2.gz RVFTVTUDZOZFRG-INIZCTEOSA-N 0 0 250.345 3.742 10 0 CHAERN O=Cc1cccn1Cc1c(Cl)cccc1Cl ZINC000008728152 170350367 /nfs/dbraw/zinc/35/03/67/170350367.db2.gz CWSUMBHFQNYMKE-UHFFFAOYSA-N 0 0 254.116 3.656 10 0 CHAERN CC[C@H](C(=O)Nc1cccc(OC(C)=O)c1)c1ccccc1 ZINC000008906637 170358504 /nfs/dbraw/zinc/35/85/04/170358504.db2.gz OIGRECOESGHKLF-KRWDZBQOSA-N 0 0 297.354 3.744 10 0 CHAERN Nc1c2c(nn1-c1ccccc1)Oc1ccc(Cl)cc1C2 ZINC000009941563 170391469 /nfs/dbraw/zinc/39/14/69/170391469.db2.gz COECTTHVXKZPDE-UHFFFAOYSA-N 0 0 297.745 3.804 10 0 CHAERN CC(C)(C[NH+](Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000011862842 170450102 /nfs/dbraw/zinc/45/01/02/170450102.db2.gz VWSDLBMKYIXZAO-UHFFFAOYSA-N 0 0 297.398 3.800 10 0 CHAERN O=C(Cc1cc(-c2cccs2)on1)Nc1ccccc1 ZINC000012868956 170515757 /nfs/dbraw/zinc/51/57/57/170515757.db2.gz VAMRDGYAKOZNEG-UHFFFAOYSA-N 0 0 284.340 3.584 10 0 CHAERN O=c1c2ncc3ccccc3c2[nH]n1-c1ccc(Cl)cc1 ZINC000013448377 170551131 /nfs/dbraw/zinc/55/11/31/170551131.db2.gz UVBRRAVEYHFYAJ-UHFFFAOYSA-N 0 0 295.729 3.933 10 0 CHAERN Oc1ccc(C[C@@H](c2ccc(O)cc2)C(F)(F)F)cc1 ZINC000013470348 170552749 /nfs/dbraw/zinc/55/27/49/170552749.db2.gz FGHONHDQVXCIHF-AWEZNQCLSA-N 0 0 282.261 3.986 10 0 CHAERN CCOc1ccccc1NC(=S)N1CCC[C@@H](C)C1 ZINC000013826321 170600885 /nfs/dbraw/zinc/60/08/85/170600885.db2.gz KDOTVAPGFDTEDY-GFCCVEGCSA-N 0 0 278.421 3.514 10 0 CHAERN CCc1ccc(NC(=S)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000013827190 170601612 /nfs/dbraw/zinc/60/16/12/170601612.db2.gz RCYLIKCFHPKAST-STQMWFEESA-N 0 0 276.449 3.924 10 0 CHAERN CCCC(=O)NC[C@@H]1CCc2cccc3cccc1c32 ZINC000013834428 170602388 /nfs/dbraw/zinc/60/23/88/170602388.db2.gz MSGYKVUEGKWXNK-HNNXBMFYSA-N 0 0 267.372 3.786 10 0 CHAERN O=C1NC(=O)C(=Cc2ccc(Oc3ccccc3)cc2)S1 ZINC000013836500 170603699 /nfs/dbraw/zinc/60/36/99/170603699.db2.gz YDMLRGYVPHSVSL-UVTDQMKNSA-N 0 0 297.335 3.803 10 0 CHAERN Cc1oncc1C(=O)Nc1ccccc1C(C)(C)C ZINC000014206270 170625085 /nfs/dbraw/zinc/62/50/85/170625085.db2.gz AJYSVAKURXXFMB-UHFFFAOYSA-N 0 0 258.321 3.533 10 0 CHAERN COc1cc(C(C)=O)ccc1OCc1cccs1 ZINC000019488107 170813220 /nfs/dbraw/zinc/81/32/20/170813220.db2.gz BPOONPITSHPXQM-UHFFFAOYSA-N 0 0 262.330 3.538 10 0 CHAERN CCCN(CCC)C(=O)[C@@H]1C[C@@H](C)Nc2ccccc21 ZINC000019518720 170824591 /nfs/dbraw/zinc/82/45/91/170824591.db2.gz FHGRPUPJRGWTRP-UKRRQHHQSA-N 0 0 274.408 3.623 10 0 CHAERN Cc1cc(C)cc(-n2nc(-c3cccs3)cc2N)c1 ZINC000019689115 170841476 /nfs/dbraw/zinc/84/14/76/170841476.db2.gz GNPPSPSCDADJJN-UHFFFAOYSA-N 0 0 269.373 3.800 10 0 CHAERN CCc1cccc(C)c1NC(=O)c1ccc(O)cc1 ZINC000019837936 170886352 /nfs/dbraw/zinc/88/63/52/170886352.db2.gz ZDYNGDMOLBWUHV-UHFFFAOYSA-N 0 0 255.317 3.515 10 0 CHAERN CC[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(C)cc1 ZINC000019911584 170922390 /nfs/dbraw/zinc/92/23/90/170922390.db2.gz JWFMGYTVXOMHNX-MRXNPFEDSA-N 0 0 268.360 3.657 10 0 CHAERN CC[C@H](Nc1ccc(OC)nc1)c1ccc(C)cc1 ZINC000019990720 170962202 /nfs/dbraw/zinc/96/22/02/170962202.db2.gz NPMQRCBPUWIGQM-HNNXBMFYSA-N 0 0 256.349 3.962 10 0 CHAERN CCc1cccc(Oc2ccc(C(N)=S)cc2)c1 ZINC000020010012 170968534 /nfs/dbraw/zinc/96/85/34/170968534.db2.gz BQDOSSZNELPUQA-UHFFFAOYSA-N 0 0 257.358 3.676 10 0 CHAERN Cc1noc(C)c1-c1ccc(-c2csc(N)n2)cc1 ZINC000020118725 170999182 /nfs/dbraw/zinc/99/91/82/170999182.db2.gz XHKBXTPNYQWSEU-UHFFFAOYSA-N 0 0 271.345 3.664 10 0 CHAERN C[C@@H](N[C@@H]1COc2cc(O)ccc21)c1ccccc1Cl ZINC000020124096 171005532 /nfs/dbraw/zinc/00/55/32/171005532.db2.gz PLGCYUJOXKVLPM-MEBBXXQBSA-N 0 0 289.762 3.830 10 0 CHAERN CCC(=O)Nc1cccc(NCc2ccsc2)c1 ZINC000020131891 171020391 /nfs/dbraw/zinc/02/03/91/171020391.db2.gz SUTQXISDVMJEKJ-UHFFFAOYSA-N 0 0 260.362 3.709 10 0 CHAERN COc1ccc2[nH]cc(CCNc3ccc(F)cc3N)c2c1 ZINC000020135528 171023264 /nfs/dbraw/zinc/02/32/64/171023264.db2.gz UDQJDVKDCVJGJT-UHFFFAOYSA-N 0 0 299.349 3.552 10 0 CHAERN Cc1nc2sc3c(c2c(=O)n1CC(C)C)CC[C@H](C)C3 ZINC000020157842 171039583 /nfs/dbraw/zinc/03/95/83/171039583.db2.gz RETAJWMKAKZXRB-JTQLQIEISA-N 0 0 290.432 3.547 10 0 CHAERN CCOc1ccc([C@@H](C)NCc2ccco2)cc1F ZINC000020177218 171042994 /nfs/dbraw/zinc/04/29/94/171042994.db2.gz SIFSLGAHJXOURH-LLVKDONJSA-N 0 0 263.312 3.668 10 0 CHAERN Oc1cccc(NCc2ccc(Br)cc2)c1 ZINC000020193023 171058819 /nfs/dbraw/zinc/05/88/19/171058819.db2.gz NLYZISSRBUYVCJ-UHFFFAOYSA-N 0 0 278.149 3.767 10 0 CHAERN CC[C@@H](Nc1cccc(O)c1)c1ccc(OC)cc1 ZINC000020193789 171059429 /nfs/dbraw/zinc/05/94/29/171059429.db2.gz JJPUTKAITBOTAN-MRXNPFEDSA-N 0 0 257.333 3.964 10 0 CHAERN O=Cc1ccccc1OCc1ccc2ccccc2n1 ZINC000020246648 171100496 /nfs/dbraw/zinc/10/04/96/171100496.db2.gz ISNSYVLJRJMBFQ-UHFFFAOYSA-N 0 0 263.296 3.626 10 0 CHAERN Cc1noc(C)c1CSc1ccc(Cl)cc1N ZINC000020254151 171107264 /nfs/dbraw/zinc/10/72/64/171107264.db2.gz XQWADZRWCHQMMP-UHFFFAOYSA-N 0 0 268.769 3.819 10 0 CHAERN O=Cc1ccc(Oc2ccc(Br)cc2)o1 ZINC000020274340 171131755 /nfs/dbraw/zinc/13/17/55/171131755.db2.gz NREPGKGPIFELAG-UHFFFAOYSA-N 0 0 267.078 3.647 10 0 CHAERN Cc1cccc(-c2cc(N)n(-c3cccc(C)c3)n2)c1 ZINC000020284546 171133374 /nfs/dbraw/zinc/13/33/74/171133374.db2.gz WKRZKNXMJONXEF-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN Cc1c(Cl)cccc1N[C@H](C)C(=O)NC1CCCC1 ZINC000020301000 171138827 /nfs/dbraw/zinc/13/88/27/171138827.db2.gz UQCKJCSWHQWHGI-LLVKDONJSA-N 0 0 280.799 3.508 10 0 CHAERN CC(C)CNC(=O)[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000020313782 171145468 /nfs/dbraw/zinc/14/54/68/171145468.db2.gz FYUZMRDQHXPFKF-VIFPVBQESA-N 0 0 289.206 3.566 10 0 CHAERN CCc1ccc(NC(=O)c2ccccc2Cl)cc1N ZINC000020344133 171153426 /nfs/dbraw/zinc/15/34/26/171153426.db2.gz LDRJSQPVLNWPFS-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN CC(C)c1cccc(NC(=O)c2ccc(O)cc2)c1 ZINC000020362202 171160717 /nfs/dbraw/zinc/16/07/17/171160717.db2.gz QZSBLQQGCGGTRT-UHFFFAOYSA-N 0 0 255.317 3.768 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366594 171165123 /nfs/dbraw/zinc/16/51/23/171165123.db2.gz MSQMVBFTOYHVFS-DTWKUNHWSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366367 171165291 /nfs/dbraw/zinc/16/52/91/171165291.db2.gz YPDNOXRHECXJPE-SECBINFHSA-N 0 0 289.206 3.710 10 0 CHAERN CC[C@@H](C)NC(=O)[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000020368106 171166347 /nfs/dbraw/zinc/16/63/47/171166347.db2.gz UKRVSUBSOWLHEG-RKDXNWHRSA-N 0 0 289.206 3.709 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc(Cl)c1F ZINC000020368311 171166489 /nfs/dbraw/zinc/16/64/89/171166489.db2.gz DPURYSUGTNDWIG-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN Nc1cnccc1Oc1ccc(Cl)cc1Br ZINC000020370684 171167600 /nfs/dbraw/zinc/16/76/00/171167600.db2.gz UUVIPXRXVQRNIE-UHFFFAOYSA-N 0 0 299.555 3.872 10 0 CHAERN Nc1cnccc1Oc1cc(Cl)ccc1Cl ZINC000020370557 171167795 /nfs/dbraw/zinc/16/77/95/171167795.db2.gz RFXZQPMBMAUVJR-UHFFFAOYSA-N 0 0 255.104 3.763 10 0 CHAERN CCN(c1cccc(Cl)c1CO)C1CCCCC1 ZINC000020434997 171200854 /nfs/dbraw/zinc/20/08/54/171200854.db2.gz ZBLASRUKNTWGTQ-UHFFFAOYSA-N 0 0 267.800 3.991 10 0 CHAERN O=Cc1cc2ccccc2nc1OC1CCCCC1 ZINC000020444825 171206259 /nfs/dbraw/zinc/20/62/59/171206259.db2.gz BLRJYNODDPZMDK-UHFFFAOYSA-N 0 0 255.317 3.759 10 0 CHAERN OCc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1 ZINC000020457980 171208654 /nfs/dbraw/zinc/20/86/54/171208654.db2.gz KVOYAJGMRCWRNN-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN OCc1cc(Br)ccc1OCc1cccs1 ZINC000020483122 171223679 /nfs/dbraw/zinc/22/36/79/171223679.db2.gz HZWNWHYPLRFREI-UHFFFAOYSA-N 0 0 299.189 3.582 10 0 CHAERN CCCNC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505377 171228062 /nfs/dbraw/zinc/22/80/62/171228062.db2.gz LSYLUQPWBPZRAR-UHFFFAOYSA-N 0 0 295.597 3.585 10 0 CHAERN CCC(=O)c1ccccc1OCC(F)(F)C(F)F ZINC000020518680 171233231 /nfs/dbraw/zinc/23/32/31/171233231.db2.gz KWDSFPDZMMVXSB-UHFFFAOYSA-N 0 0 264.218 3.559 10 0 CHAERN CCc1cccc(Oc2ccccc2C(N)=S)c1 ZINC000020559905 171251455 /nfs/dbraw/zinc/25/14/55/171251455.db2.gz DZAZXNBDIXPZTG-UHFFFAOYSA-N 0 0 257.358 3.676 10 0 CHAERN CC[C@@H]1CCCC[C@H]1OCc1ccc(C(N)=S)cc1F ZINC000020562293 171252208 /nfs/dbraw/zinc/25/22/08/171252208.db2.gz UELWBPCZQOQEBK-IAQYHMDHSA-N 0 0 295.423 3.945 10 0 CHAERN Cc1cnn([C@H](C)c2cccc3ccccc32)c1N ZINC000020578723 171256893 /nfs/dbraw/zinc/25/68/93/171256893.db2.gz BAIPCIZJMJMWHE-GFCCVEGCSA-N 0 0 251.333 3.536 10 0 CHAERN CC1N=NC(=S)N1c1c(Cl)cc(Cl)cc1Cl ZINC000020589886 171260639 /nfs/dbraw/zinc/26/06/39/171260639.db2.gz OQJGLORLVOBCPP-UHFFFAOYSA-N 0 0 294.594 3.825 10 0 CHAERN COc1cccc(OC(=O)c2cc3ccccc3o2)c1 ZINC000021001284 171284457 /nfs/dbraw/zinc/28/44/57/171284457.db2.gz CTQCASXWRDIYTQ-UHFFFAOYSA-N 0 0 268.268 3.661 10 0 CHAERN Cc1cc(Oc2cc(C(N)=S)ccn2)ccc1C(C)C ZINC000021008592 171285653 /nfs/dbraw/zinc/28/56/53/171285653.db2.gz LJCFNMYFUJAVLE-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN Cc1cccc(C)c1OCc1ccc(C(N)=S)cc1F ZINC000021014033 171288800 /nfs/dbraw/zinc/28/88/00/171288800.db2.gz QVHZKAKHZSZBQL-UHFFFAOYSA-N 0 0 289.375 3.656 10 0 CHAERN CCOc1ccc(C(=O)Nc2nc(C)cs2)cc1Cl ZINC000021143288 171298236 /nfs/dbraw/zinc/29/82/36/171298236.db2.gz PLMYWRXIVMVUDE-UHFFFAOYSA-N 0 0 296.779 3.756 10 0 CHAERN Cc1c(Cl)cc(C(=O)N2CCC(C)CC2)c(F)c1F ZINC000021266608 171300341 /nfs/dbraw/zinc/30/03/41/171300341.db2.gz ZZZRUSDAMNLZDD-UHFFFAOYSA-N 0 0 287.737 3.799 10 0 CHAERN CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)C(C)C)cc1 ZINC000021334982 171302734 /nfs/dbraw/zinc/30/27/34/171302734.db2.gz AZUOEVLNUPORMH-CHWSQXEVSA-N 0 0 283.437 3.523 10 0 CHAERN Cc1cccc(C(C)C)c1Nc1cc(C(N)=S)ccn1 ZINC000021510263 171309937 /nfs/dbraw/zinc/30/99/37/171309937.db2.gz IARSORAWWKIYFQ-UHFFFAOYSA-N 0 0 285.416 3.891 10 0 CHAERN CN(Cc1ccc2c(c1)CCCN2)c1ccccc1 ZINC000021520880 171315979 /nfs/dbraw/zinc/31/59/79/171315979.db2.gz SNFKIVRWVIBYCN-UHFFFAOYSA-N 0 0 252.361 3.681 10 0 CHAERN CC(C)c1ccc(Nc2ncccc2C(N)=S)cc1 ZINC000021812587 171329921 /nfs/dbraw/zinc/32/99/21/171329921.db2.gz MQNCXWGKJYGCIC-UHFFFAOYSA-N 0 0 271.389 3.583 10 0 CHAERN COc1ccc(NCc2ccc3ccccc3c2)cn1 ZINC000021816106 171332438 /nfs/dbraw/zinc/33/24/38/171332438.db2.gz LDSZALNZJJVNBZ-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN Nc1cc(NC(=O)Nc2ccccc2)ccc1Cl ZINC000021959558 171342204 /nfs/dbraw/zinc/34/22/04/171342204.db2.gz IPCPVUUVKHANHT-UHFFFAOYSA-N 0 0 261.712 3.566 10 0 CHAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Cl ZINC000021966930 171343853 /nfs/dbraw/zinc/34/38/53/171343853.db2.gz LWVASLYDZUCBPE-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Fc1cnc(-c2cc(Br)ccc2F)c(F)c1 ZINC000021994802 171347262 /nfs/dbraw/zinc/34/72/62/171347262.db2.gz KLIGSLVQWXYJLF-UHFFFAOYSA-N 0 0 288.066 3.928 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccccc1 ZINC000022142134 171355294 /nfs/dbraw/zinc/35/52/94/171355294.db2.gz ZNSOICXKRNAIRD-UHFFFAOYSA-N 0 0 280.249 3.540 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1ccc(C=O)cc1F ZINC000022147798 171357326 /nfs/dbraw/zinc/35/73/26/171357326.db2.gz QLUXCGXSJFGIDE-TZMCWYRMSA-N 0 0 250.313 3.986 10 0 CHAERN FC(F)(F)CNc1ccnc2cc(Cl)ccc21 ZINC000022153934 171360766 /nfs/dbraw/zinc/36/07/66/171360766.db2.gz VZZNSWRUGVYWJL-UHFFFAOYSA-N 0 0 260.646 3.862 10 0 CHAERN C[C@H]1CN(C(=O)C(C)(C)c2ccccc2Cl)CCS1 ZINC000171567208 335070993 /nfs/dbraw/zinc/07/09/93/335070993.db2.gz NDIOQSSDIGEFJL-NSHDSACASA-N 0 0 297.851 3.582 10 0 CHAERN Nc1onc(-c2cccs2)c1-c1cccc(F)c1 ZINC000026512638 171490953 /nfs/dbraw/zinc/49/09/53/171490953.db2.gz HHXRDNVGLUNOKP-UHFFFAOYSA-N 0 0 260.293 3.791 10 0 CHAERN Nc1onc(-c2cccc(F)c2)c1-c1ccccc1 ZINC000026512497 171490954 /nfs/dbraw/zinc/49/09/54/171490954.db2.gz GKQYMPPBYLIVLH-UHFFFAOYSA-N 0 0 254.264 3.730 10 0 CHAERN Cc1nn(-c2cccc(C)c2)c2c1c(=O)oc1ccccc21 ZINC000026646195 171494720 /nfs/dbraw/zinc/49/47/20/171494720.db2.gz TWGLQHHZDRXXTR-UHFFFAOYSA-N 0 0 290.322 3.749 10 0 CHAERN O[C@H](CNc1ccccc1F)c1ccc(Cl)cc1 ZINC000032114281 171707939 /nfs/dbraw/zinc/70/79/39/171707939.db2.gz WNKQPUVGFJVSCQ-CQSZACIVSA-N 0 0 265.715 3.625 10 0 CHAERN COc1ccc(C=O)cc1-c1ccc2[nH]ccc2c1 ZINC000033428580 171795697 /nfs/dbraw/zinc/79/56/97/171795697.db2.gz YRNMXIXKOWPVPY-UHFFFAOYSA-N 0 0 251.285 3.656 10 0 CHAERN COC(=O)c1cccc(Oc2ccccc2Cl)c1 ZINC000033727206 171819096 /nfs/dbraw/zinc/81/90/96/171819096.db2.gz PGEQGPAOSFMJLY-UHFFFAOYSA-N 0 0 262.692 3.919 10 0 CHAERN Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1 ZINC000034156721 171833045 /nfs/dbraw/zinc/83/30/45/171833045.db2.gz HXTBAMPZHJHCQC-UHFFFAOYSA-N 0 0 289.644 3.523 10 0 CHAERN CC1(OC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)C2CC3CC(C2)CC1C3 ZINC000034567870 171844575 /nfs/dbraw/zinc/84/45/75/171844575.db2.gz OJGSGTWNQWAFBE-YCCTYULNSA-N 0 0 286.415 3.957 10 0 CHAERN O=c1cc(Cl)sn1Cc1cccc2ccccc21 ZINC000034853755 171889417 /nfs/dbraw/zinc/88/94/17/171889417.db2.gz GWWMSDLDFYHRSO-UHFFFAOYSA-N 0 0 275.760 3.765 10 0 CHAERN COc1ccc2oc([C@H](N)c3cccs3)c(C)c2c1 ZINC000034972328 171908286 /nfs/dbraw/zinc/90/82/86/171908286.db2.gz FBTHURWRKHUPSX-CQSZACIVSA-N 0 0 273.357 3.859 10 0 CHAERN O=C(COc1ccc(F)cc1F)c1ccccc1Cl ZINC000034980924 171913638 /nfs/dbraw/zinc/91/36/38/171913638.db2.gz KPZBMNNGDGHIRH-UHFFFAOYSA-N 0 0 282.673 3.880 10 0 CHAERN Cc1cc(C)c(C(=O)CN2CCc3ccccc32)cc1C ZINC000035022384 171940985 /nfs/dbraw/zinc/94/09/85/171940985.db2.gz DPFHBBHBGNMRAQ-UHFFFAOYSA-N 0 0 279.383 3.857 10 0 CHAERN C[C@@H](Sc1ccccn1)C(=O)c1ccc(F)cc1F ZINC000035046938 171950346 /nfs/dbraw/zinc/95/03/46/171950346.db2.gz PDVMIGHTKOGXSS-SECBINFHSA-N 0 0 279.311 3.723 10 0 CHAERN Cc1cc(Nc2ccc(F)c(F)c2F)ccc1N ZINC000035056283 171959328 /nfs/dbraw/zinc/95/93/28/171959328.db2.gz IRKKNALVHIKNBI-UHFFFAOYSA-N 0 0 252.239 3.738 10 0 CHAERN Cc1c(N)cccc1OCc1ccc(F)cc1Cl ZINC000035056499 171959415 /nfs/dbraw/zinc/95/94/15/171959415.db2.gz OEFYJETZHAHASD-UHFFFAOYSA-N 0 0 265.715 3.949 10 0 CHAERN Cc1nc2cc(Oc3ccccc3)c(N)cc2s1 ZINC000035060422 171962238 /nfs/dbraw/zinc/96/22/38/171962238.db2.gz YGYKDILDWWPDIX-UHFFFAOYSA-N 0 0 256.330 3.979 10 0 CHAERN C[C@H](Nc1cc(Cl)ccc1F)C(=O)N1CCCCCC1 ZINC000035083635 171970532 /nfs/dbraw/zinc/97/05/32/171970532.db2.gz UMVSMMBKOKCZTC-NSHDSACASA-N 0 0 298.789 3.682 10 0 CHAERN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)c(F)c1 ZINC000035134748 172001485 /nfs/dbraw/zinc/00/14/85/172001485.db2.gz ULBAYXSLUKEVET-UHFFFAOYSA-N 0 0 268.291 3.868 10 0 CHAERN FC(F)(F)c1ccccc1NC[C@@H]1CCCCO1 ZINC000035150738 172013439 /nfs/dbraw/zinc/01/34/39/172013439.db2.gz XIGKDYPFNFTLGT-JTQLQIEISA-N 0 0 259.271 3.686 10 0 CHAERN Clc1ccc(NC[C@H]2CCCCO2)c(Cl)c1 ZINC000035150757 172013627 /nfs/dbraw/zinc/01/36/27/172013627.db2.gz CMHWHGUIZBKPBL-SNVBAGLBSA-N 0 0 260.164 3.974 10 0 CHAERN O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2cc1O ZINC000035161065 172020467 /nfs/dbraw/zinc/02/04/67/172020467.db2.gz HYEFFIJWUHLYSN-UHFFFAOYSA-N 0 0 298.729 3.846 10 0 CHAERN C[C@@H](NC(=O)c1cc2ccccc2cc1O)c1ccco1 ZINC000035161618 172021305 /nfs/dbraw/zinc/02/13/05/172021305.db2.gz IABZGRCXAOFSKY-LLVKDONJSA-N 0 0 281.311 3.629 10 0 CHAERN Cc1ccc2cccc(OCC(=O)C(C)(C)C)c2n1 ZINC000035181916 172035349 /nfs/dbraw/zinc/03/53/49/172035349.db2.gz BIMLABLTRNAWCY-UHFFFAOYSA-N 0 0 257.333 3.537 10 0 CHAERN Cc1ccc(OCC(=O)c2ccccc2F)cc1C ZINC000035182347 172036108 /nfs/dbraw/zinc/03/61/08/172036108.db2.gz GXMDBORWJJKDDM-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(F)cc2)cc1 ZINC000035183668 172036676 /nfs/dbraw/zinc/03/66/76/172036676.db2.gz XOSPPLMFGZGYCP-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN CSc1ccc(C(=O)COc2ccc(C)cc2)cc1 ZINC000035183632 172036764 /nfs/dbraw/zinc/03/67/64/172036764.db2.gz BKDPIVLLXFCXPA-UHFFFAOYSA-N 0 0 272.369 3.979 10 0 CHAERN Cc1ccc(C)c(C(=O)COc2cccc(F)c2)c1 ZINC000035184081 172037532 /nfs/dbraw/zinc/03/75/32/172037532.db2.gz GTYGCIYPLOFZOA-UHFFFAOYSA-N 0 0 258.292 3.704 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000035183848 172037594 /nfs/dbraw/zinc/03/75/94/172037594.db2.gz SUHGGQVVVUFWMX-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN Cc1ccc(C(=O)Nc2ccccc2[C@@H](C)O)c(C)c1 ZINC000035199594 172045026 /nfs/dbraw/zinc/04/50/26/172045026.db2.gz OITKZJGAZRJJKJ-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@H](Nc1ncccc1C(F)(F)F)c1ccncc1 ZINC000035234493 172074211 /nfs/dbraw/zinc/07/42/11/172074211.db2.gz LZRCTQMEFNXKFS-VIFPVBQESA-N 0 0 267.254 3.669 10 0 CHAERN Cc1c(N)cccc1OCc1ccc(Br)s1 ZINC000035283100 172101608 /nfs/dbraw/zinc/10/16/08/172101608.db2.gz BYWLBNZQCROTEY-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Cc1cccc(OCc2ccccc2Br)c1N ZINC000035283601 172102348 /nfs/dbraw/zinc/10/23/48/172102348.db2.gz XIAZSJVMOBLCJK-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Nc1ccc(F)cc1COc1cccc(Cl)c1 ZINC000035308727 172121630 /nfs/dbraw/zinc/12/16/30/172121630.db2.gz PCAHYHDDBLGRDW-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN Cc1ccc(Oc2ccc(N)c3cnccc23)cc1 ZINC000035333084 172131465 /nfs/dbraw/zinc/13/14/65/172131465.db2.gz KCZNMTRGEBNQDV-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Nc1cc2c(cc1Sc1ccccc1Cl)NC(=O)C2 ZINC000035345830 172138011 /nfs/dbraw/zinc/13/80/11/172138011.db2.gz MNIRHFHKMPYZDH-UHFFFAOYSA-N 0 0 290.775 3.568 10 0 CHAERN COc1ccc(C(=O)c2cc(C)oc2C)cc1Cl ZINC000035369320 172160750 /nfs/dbraw/zinc/16/07/50/172160750.db2.gz LTVPLOQXXWZJGS-UHFFFAOYSA-N 0 0 264.708 3.789 10 0 CHAERN O=C(c1cc2c(s1)CCC2)c1ccc2c(c1)CCC2 ZINC000035369038 172160818 /nfs/dbraw/zinc/16/08/18/172160818.db2.gz NARPQKMYEJHTNU-UHFFFAOYSA-N 0 0 268.381 3.957 10 0 CHAERN CN[C@@H](c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000035464092 172212601 /nfs/dbraw/zinc/21/26/01/172212601.db2.gz LJZQFLDRXNQESA-QMMMGPOBSA-N 0 0 273.632 3.798 10 0 CHAERN CN[C@H](c1cc(C)ccc1C)C(F)(F)C(F)(F)F ZINC000035489432 172223527 /nfs/dbraw/zinc/22/35/27/172223527.db2.gz PYCIZDUNPHOOCY-SNVBAGLBSA-N 0 0 267.241 3.762 10 0 CHAERN CCN[C@H](c1ccc2c(c1)CCCC2)C(F)(F)F ZINC000035510736 172242252 /nfs/dbraw/zinc/24/22/52/172242252.db2.gz JFDPFMPDIVOTRF-CYBMUJFWSA-N 0 0 257.299 3.778 10 0 CHAERN NC1=NC(=O)SC1=Cc1ccc(-c2ccccc2)o1 ZINC000035516926 172243112 /nfs/dbraw/zinc/24/31/12/172243112.db2.gz HSZXRBCSFKAVMW-WQLSENKSSA-N 0 0 270.313 3.721 10 0 CHAERN CCCN[C@@H](c1ccc(CC)s1)C(F)(F)F ZINC000035573485 172270609 /nfs/dbraw/zinc/27/06/09/172270609.db2.gz DMCVOPQFHBUFTM-JTQLQIEISA-N 0 0 251.317 3.914 10 0 CHAERN CCCN[C@H](c1ccccc1)C(F)(F)C(F)(F)F ZINC000035575639 172272146 /nfs/dbraw/zinc/27/21/46/172272146.db2.gz OWLXBQUSFOVWLB-SNVBAGLBSA-N 0 0 267.241 3.925 10 0 CHAERN O=Cc1ccc(OC(=O)Nc2cccc(Cl)c2)cc1 ZINC000035576322 172272945 /nfs/dbraw/zinc/27/29/45/172272945.db2.gz JTWWDABJDVNDDR-UHFFFAOYSA-N 0 0 275.691 3.763 10 0 CHAERN CCCN[C@@H](c1ccoc1)c1c(F)cc(F)cc1F ZINC000035580760 172276436 /nfs/dbraw/zinc/27/64/36/172276436.db2.gz PHNPRBSHVHSWPP-AWEZNQCLSA-N 0 0 269.266 3.786 10 0 CHAERN C[C@@H](O)c1cccc(OCc2ccccc2Cl)c1 ZINC000035627798 172306858 /nfs/dbraw/zinc/30/68/58/172306858.db2.gz TUBPPBAKGFSOPW-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN Cc1cn(Cc2cccc(N)c2C)c2ccccc12 ZINC000035649319 172325255 /nfs/dbraw/zinc/32/52/55/172325255.db2.gz TWURYZITFPDHFA-UHFFFAOYSA-N 0 0 250.345 3.889 10 0 CHAERN CCOc1ccc(Oc2ccccc2[C@H](C)O)cc1 ZINC000035650638 172326448 /nfs/dbraw/zinc/32/64/48/172326448.db2.gz AEHAYZUZKPTCPI-LBPRGKRZSA-N 0 0 258.317 3.931 10 0 CHAERN Cc1cc(Cl)ccc1Oc1ccc(N)c2nonc21 ZINC000035675856 172346185 /nfs/dbraw/zinc/34/61/85/172346185.db2.gz ITBXIYVKBXVZOR-UHFFFAOYSA-N 0 0 275.695 3.559 10 0 CHAERN Nc1ccc(F)cc1CSc1cc(F)ccc1F ZINC000035676201 172346830 /nfs/dbraw/zinc/34/68/30/172346830.db2.gz INAJGZDAEMCLLX-UHFFFAOYSA-N 0 0 269.291 3.978 10 0 CHAERN C[C@H](c1ccccn1)n1c2ccccc2[nH]c1=S ZINC000035695298 172363635 /nfs/dbraw/zinc/36/36/35/172363635.db2.gz WHVMQYHROCCEHK-SNVBAGLBSA-N 0 0 255.346 3.703 10 0 CHAERN C[C@@H](Nc1nc2cc(Cl)ccc2s1)[C@H]1CCCO1 ZINC000035736374 172389240 /nfs/dbraw/zinc/38/92/40/172389240.db2.gz BMMWWJOBJMOULA-LDYMZIIASA-N 0 0 282.796 3.929 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1cccs1 ZINC000035737195 172390563 /nfs/dbraw/zinc/39/05/63/172390563.db2.gz JCYSZTSZRCDHLF-MRVPVSSYSA-N 0 0 253.396 3.735 10 0 CHAERN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738806 172392757 /nfs/dbraw/zinc/39/27/57/172392757.db2.gz DOLCZTXHBZTWRN-UWVGGRQHSA-N 0 0 251.276 3.970 10 0 CHAERN COc1ccc(CCN(C)C(=O)c2ccc(C)c(C)c2)cc1 ZINC000036111554 172443544 /nfs/dbraw/zinc/44/35/44/172443544.db2.gz GGLGXFMYGIROQR-UHFFFAOYSA-N 0 0 297.398 3.627 10 0 CHAERN CCCCSCCC(=O)Nc1ccc(N)cc1Cl ZINC000036332955 172617276 /nfs/dbraw/zinc/61/72/76/172617276.db2.gz GVPWKPVKTOQYIS-UHFFFAOYSA-N 0 0 286.828 3.784 10 0 CHAERN Oc1cccc2c1CC[C@@H]2Nc1cc(F)ccc1F ZINC000036851929 172749809 /nfs/dbraw/zinc/74/98/09/172749809.db2.gz VUHXPGLTQWZJBL-ZDUSSCGKSA-N 0 0 261.271 3.770 10 0 CHAERN Cc1ccc([C@H](C)Nc2ccc(Cl)c(C(N)=O)c2)s1 ZINC000037046015 172912612 /nfs/dbraw/zinc/91/26/12/172912612.db2.gz GUDDUWGUMWSOEL-VIFPVBQESA-N 0 0 294.807 3.982 10 0 CHAERN Nc1ccc(SCc2csc(-c3ccco3)n2)cn1 ZINC000037192242 173020935 /nfs/dbraw/zinc/02/09/35/173020935.db2.gz CLYKACBNSDEESI-UHFFFAOYSA-N 0 0 289.385 3.673 10 0 CHAERN Cc1cc(N)ccc1SCc1ccc(Cl)nc1 ZINC000037193515 173023182 /nfs/dbraw/zinc/02/31/82/173023182.db2.gz MEAXQWCVHJHKSR-UHFFFAOYSA-N 0 0 264.781 3.918 10 0 CHAERN Cc1ccc2sc([C@H](N)c3ccccc3)nc2c1 ZINC000037204455 173026591 /nfs/dbraw/zinc/02/65/91/173026591.db2.gz OMSJIFRSTQJVIK-CQSZACIVSA-N 0 0 254.358 3.653 10 0 CHAERN Nc1cc(F)ccc1-c1nc2cc(F)ccc2s1 ZINC000037205156 173027213 /nfs/dbraw/zinc/02/72/13/173027213.db2.gz IXAFIIVRHMXZBH-UHFFFAOYSA-N 0 0 262.284 3.824 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1ccccc1OC(F)F ZINC000037217545 173035858 /nfs/dbraw/zinc/03/58/58/173035858.db2.gz WRGDFURIQQIBIW-PWSUYJOCSA-N 0 0 271.307 3.658 10 0 CHAERN CCCc1nn(-c2cc(C)ccc2C)c(Cl)c1C=O ZINC000037326804 173127744 /nfs/dbraw/zinc/12/77/44/173127744.db2.gz RODQDMAQPNPRKE-UHFFFAOYSA-N 0 0 276.767 3.908 10 0 CHAERN CCCc1nn(-c2cccc(Cl)c2)c(Cl)c1CO ZINC000037343503 173143379 /nfs/dbraw/zinc/14/33/79/173143379.db2.gz ZLWGLMTVIHAAHP-UHFFFAOYSA-N 0 0 285.174 3.624 10 0 CHAERN CC[C@@H](Oc1ccccc1F)C(=O)c1ccccc1 ZINC000037347436 173144175 /nfs/dbraw/zinc/14/41/75/173144175.db2.gz QPJHNIGRMDMBAT-CQSZACIVSA-N 0 0 258.292 3.866 10 0 CHAERN CCC[C@H](C)c1nn(C)c(N)c1-c1ccccc1C ZINC000037351251 173144582 /nfs/dbraw/zinc/14/45/82/173144582.db2.gz DEBBDYRWIBKBTR-LBPRGKRZSA-N 0 0 257.381 3.881 10 0 CHAERN CCC(CC)c1noc(N)c1-c1ccc(OC)cc1 ZINC000037350510 173144663 /nfs/dbraw/zinc/14/46/63/173144663.db2.gz XDTAVLZPZBYTCW-UHFFFAOYSA-N 0 0 260.337 3.836 10 0 CHAERN CCCCc1noc(N)c1-c1cc(C)ccc1OC ZINC000037350466 173144728 /nfs/dbraw/zinc/14/47/28/173144728.db2.gz BWTPQXNMTDUDKN-UHFFFAOYSA-N 0 0 260.337 3.583 10 0 CHAERN CCC(CC)c1nn(C)c(N)c1-c1ccc(F)cc1 ZINC000037351694 173145156 /nfs/dbraw/zinc/14/51/56/173145156.db2.gz ATTGUGZLZAHADM-UHFFFAOYSA-N 0 0 261.344 3.712 10 0 CHAERN Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)c(C)c1 ZINC000037352303 173145453 /nfs/dbraw/zinc/14/54/53/173145453.db2.gz FPNDQNCOAJQJEM-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN COc1ccc(C(=O)CSc2cccs2)cc1 ZINC000037352989 173146420 /nfs/dbraw/zinc/14/64/20/173146420.db2.gz HIMRMDFIQJKZBX-UHFFFAOYSA-N 0 0 264.371 3.732 10 0 CHAERN CCOc1ccccc1C(=O)c1cc(C)ccc1C ZINC000037353630 173146903 /nfs/dbraw/zinc/14/69/03/173146903.db2.gz WWHGGZXSYCNSSC-UHFFFAOYSA-N 0 0 254.329 3.933 10 0 CHAERN COc1cccc(C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000037361319 173151171 /nfs/dbraw/zinc/15/11/71/173151171.db2.gz FSKUZLWXDBVSFU-UHFFFAOYSA-N 0 0 265.312 3.716 10 0 CHAERN COc1ccc(F)cc1C(=O)c1ccc(C)c(C)c1 ZINC000037362384 173151460 /nfs/dbraw/zinc/15/14/60/173151460.db2.gz XFWDJFAFMOPYBH-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN Cc1nn(C)c(Cl)c1COc1cccc(C)c1C ZINC000037408807 173184707 /nfs/dbraw/zinc/18/47/07/173184707.db2.gz UPDXDDTWOQDQRP-UHFFFAOYSA-N 0 0 264.756 3.578 10 0 CHAERN Cc1nn(C)c(Cl)c1COc1ccc(Cl)cc1C ZINC000037408784 173185376 /nfs/dbraw/zinc/18/53/76/173185376.db2.gz JKNTUQVBJRYZSM-UHFFFAOYSA-N 0 0 285.174 3.923 10 0 CHAERN CCCc1cc(Cl)c2cc(OC)c(OC)cc2n1 ZINC000037413079 173189791 /nfs/dbraw/zinc/18/97/91/173189791.db2.gz RBXQYZSJDGFICH-UHFFFAOYSA-N 0 0 265.740 3.858 10 0 CHAERN COCCc1ccc(Oc2ccc(C)cc2N)cc1 ZINC000037429170 173200095 /nfs/dbraw/zinc/20/00/95/173200095.db2.gz FPGVBJBKVLDSEP-UHFFFAOYSA-N 0 0 257.333 3.558 10 0 CHAERN CCn1c2ccc(F)cc2nc1-c1sccc1N ZINC000037439362 173209705 /nfs/dbraw/zinc/20/97/05/173209705.db2.gz GIRJMCBECOXVLB-UHFFFAOYSA-N 0 0 261.325 3.506 10 0 CHAERN Cn1c(-c2ccc(F)cc2N)nc2cccc(Cl)c21 ZINC000037443463 173211752 /nfs/dbraw/zinc/21/17/52/173211752.db2.gz JWAYXQNTZAMDTP-UHFFFAOYSA-N 0 0 275.714 3.615 10 0 CHAERN Nc1nc(COc2c(Cl)cccc2Cl)cs1 ZINC000037470368 173227326 /nfs/dbraw/zinc/22/73/26/173227326.db2.gz LCYLFLYJIXKRLE-UHFFFAOYSA-N 0 0 275.160 3.611 10 0 CHAERN Cc1cc(Oc2ccccc2Br)nc(C)n1 ZINC000037498447 173237268 /nfs/dbraw/zinc/23/72/68/173237268.db2.gz ZLENNVKOKOVPJM-UHFFFAOYSA-N 0 0 279.137 3.648 10 0 CHAERN O=Cc1c(Cl)cccc1OCc1ccc(F)cc1 ZINC000037519271 173249935 /nfs/dbraw/zinc/24/99/35/173249935.db2.gz DEBFIFRYXFUDIK-UHFFFAOYSA-N 0 0 264.683 3.871 10 0 CHAERN COc1ccc([C@@](C)(O)Cc2ccc(Cl)cc2)cc1 ZINC000037531049 173253524 /nfs/dbraw/zinc/25/35/24/173253524.db2.gz ZMENFWNLASAMLN-INIZCTEOSA-N 0 0 276.763 3.799 10 0 CHAERN O[C@@H](Cc1ccccc1Cl)c1cccc(F)c1 ZINC000037532314 173254072 /nfs/dbraw/zinc/25/40/72/173254072.db2.gz RIFICJMQTYRJSZ-AWEZNQCLSA-N 0 0 250.700 3.755 10 0 CHAERN Cn1ccc(N[C@H](CC(F)(F)F)c2ccccc2)n1 ZINC000037560865 173271145 /nfs/dbraw/zinc/27/11/45/173271145.db2.gz YZDREDCXUGGSBQ-LLVKDONJSA-N 0 0 269.270 3.526 10 0 CHAERN Nc1cc(-c2nc3ccccc3s2)c(F)cc1F ZINC000037600211 173553808 /nfs/dbraw/zinc/55/38/08/173553808.db2.gz FIYQAGGHCXNKAS-UHFFFAOYSA-N 0 0 262.284 3.824 10 0 CHAERN CCCN(CC1CC1)c1ccc(N)cc1C(F)(F)F ZINC000037754630 173678133 /nfs/dbraw/zinc/67/81/33/173678133.db2.gz RLUKZOQIMHLOSX-UHFFFAOYSA-N 0 0 272.314 3.914 10 0 CHAERN CCCOCc1cc2ccc(OC)cc2nc1Cl ZINC000037758300 173682742 /nfs/dbraw/zinc/68/27/42/173682742.db2.gz UEQQEKVEBVGKQY-UHFFFAOYSA-N 0 0 265.740 3.823 10 0 CHAERN O[C@]1(c2cccnc2)CCCC[C@@H]1c1ccccc1 ZINC000037761225 173688478 /nfs/dbraw/zinc/68/84/78/173688478.db2.gz QBCRPPBVOYQLIM-SJORKVTESA-N 0 0 253.345 3.627 10 0 CHAERN CC[C@H](C)CNc1cccc(Cl)c1-n1cccn1 ZINC000037774976 173707210 /nfs/dbraw/zinc/70/72/10/173707210.db2.gz QYEGUFAYKURERB-NSHDSACASA-N 0 0 263.772 3.984 10 0 CHAERN CCOc1ccc(Cl)cc1NCc1c(C)n[nH]c1C ZINC000037780957 173711019 /nfs/dbraw/zinc/71/10/19/173711019.db2.gz DZUIKOXPGCONNA-UHFFFAOYSA-N 0 0 279.771 3.691 10 0 CHAERN NC(=S)c1cccc(COc2ccc(F)cc2Cl)c1 ZINC000037902237 173833126 /nfs/dbraw/zinc/83/31/26/173833126.db2.gz NCWYJQZBNRBARC-UHFFFAOYSA-N 0 0 295.766 3.692 10 0 CHAERN CC[C@H]1CCCN1[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000037914636 173848591 /nfs/dbraw/zinc/84/85/91/173848591.db2.gz GUEDECLWRUFYCM-UWVGGRQHSA-N 0 0 271.813 3.847 10 0 CHAERN NC(=O)[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000037942311 173882668 /nfs/dbraw/zinc/88/26/68/173882668.db2.gz UYCUDLMQFWLNIE-ZDUSSCGKSA-N 0 0 295.169 3.632 10 0 CHAERN COC(=O)[C@]1(Nc2ccccc2C)CCC[C@H](C)C1 ZINC000037954612 173896507 /nfs/dbraw/zinc/89/65/07/173896507.db2.gz QVUPQURZQARCJQ-LRDDRELGSA-N 0 0 261.365 3.529 10 0 CHAERN CCC[C@](C)(Nc1cccc(Cl)c1)C(=O)OCC ZINC000037955719 173897276 /nfs/dbraw/zinc/89/72/76/173897276.db2.gz VXLZAXHATRQMBG-AWEZNQCLSA-N 0 0 269.772 3.874 10 0 CHAERN CC[C@@H](C)C[C@@](CC)([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971689 173923139 /nfs/dbraw/zinc/92/31/39/173923139.db2.gz VREIHTBSIIUKLZ-IUODEOHRSA-N 0 0 255.402 3.578 10 0 CHAERN CCC[C@](NC1CCCCC1)(C(=O)OC)c1ccccc1 ZINC000037971972 173923657 /nfs/dbraw/zinc/92/36/57/173923657.db2.gz WBISPXQRVKHJKR-GOSISDBHSA-N 0 0 289.419 3.777 10 0 CHAERN O[C@@H]1CCCC[C@@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037980168 173938731 /nfs/dbraw/zinc/93/87/31/173938731.db2.gz KKQUHXGABHFVFZ-NEPJUHHUSA-N 0 0 261.148 3.676 10 0 CHAERN CC[C@H](Cc1cccc(Br)c1)C(C)=O ZINC000038004229 173965978 /nfs/dbraw/zinc/96/59/78/173965978.db2.gz HMTBKFYMPNMQLI-LLVKDONJSA-N 0 0 255.155 3.607 10 0 CHAERN Nc1cccc2c1CCN(Cc1c(F)cccc1Cl)C2 ZINC000038032496 174028348 /nfs/dbraw/zinc/02/83/48/174028348.db2.gz RQTUFWLWIBBQJG-UHFFFAOYSA-N 0 0 290.769 3.620 10 0 CHAERN C[C@H](Nc1c(F)cc(N)cc1F)c1cccs1 ZINC000038040116 174040246 /nfs/dbraw/zinc/04/02/46/174040246.db2.gz LUUMUXNPJHJJQH-ZETCQYMHSA-N 0 0 254.305 3.782 10 0 CHAERN CCCc1nc(COc2ccc(NC)cc2)cs1 ZINC000038056919 174067533 /nfs/dbraw/zinc/06/75/33/174067533.db2.gz UHDLZOCZJJMAJU-UHFFFAOYSA-N 0 0 262.378 3.716 10 0 CHAERN CC[C@@H](C)N[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066614 174077453 /nfs/dbraw/zinc/07/74/53/174077453.db2.gz VGNXQTOMYAPWHC-IAQYHMDHSA-N 0 0 283.799 3.506 10 0 CHAERN COc1cc(C=O)c(-c2ccc(Cl)cc2)cc1OC ZINC000038069564 174080828 /nfs/dbraw/zinc/08/08/28/174080828.db2.gz ADWQOVRGHANPER-UHFFFAOYSA-N 0 0 276.719 3.837 10 0 CHAERN COc1ccc(-c2cc(C=O)ccc2F)cc1Cl ZINC000038071885 174082565 /nfs/dbraw/zinc/08/25/65/174082565.db2.gz GRWSTTSCMMVFJR-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN C[C@@H](Nc1nc2ccccc2o1)c1ccccc1N ZINC000038074707 174084725 /nfs/dbraw/zinc/08/47/25/174084725.db2.gz UHNDTZBWJULCNH-SNVBAGLBSA-N 0 0 253.305 3.583 10 0 CHAERN COc1ccc(Cl)cc1C(=O)Cc1ccccc1 ZINC000038127026 174131982 /nfs/dbraw/zinc/13/19/82/174131982.db2.gz SHTBPDBZVPREGU-UHFFFAOYSA-N 0 0 260.720 3.774 10 0 CHAERN Cc1ccc([C@@H](O)c2cccc(Br)c2)s1 ZINC000038393645 174141349 /nfs/dbraw/zinc/14/13/49/174141349.db2.gz JDYKNCWLEHYLSM-LBPRGKRZSA-N 0 0 283.190 3.901 10 0 CHAERN CN(C)c1cccc(-c2cc(=O)c3ccccc3o2)c1 ZINC000039119526 174163198 /nfs/dbraw/zinc/16/31/98/174163198.db2.gz AUPOSDJVEKGHHI-UHFFFAOYSA-N 0 0 265.312 3.526 10 0 CHAERN COc1ccc(Nc2ncc(Br)s2)cc1 ZINC000039212469 174166322 /nfs/dbraw/zinc/16/63/22/174166322.db2.gz SVYOYUOJJWKYDW-UHFFFAOYSA-N 0 0 285.166 3.658 10 0 CHAERN O=Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000039927576 174174852 /nfs/dbraw/zinc/17/48/52/174174852.db2.gz RLILRIUIWJFNCB-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN Cc1ccc(COc2cc3oc(=O)cc(C)c3cc2N)cc1 ZINC000040166124 174197621 /nfs/dbraw/zinc/19/76/21/174197621.db2.gz APWZCGXUWZXUBD-UHFFFAOYSA-N 0 0 295.338 3.571 10 0 CHAERN COC(=O)c1c(C)[nH]cc1Cc1ccc(C(C)C)cc1 ZINC000040169486 174199909 /nfs/dbraw/zinc/19/99/09/174199909.db2.gz HCVHWZCYYWSVKJ-UHFFFAOYSA-N 0 0 271.360 3.824 10 0 CHAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)NC(C)C ZINC000040178883 174202825 /nfs/dbraw/zinc/20/28/25/174202825.db2.gz RMFFATPBFXKTHD-UHFFFAOYSA-N 0 0 261.296 3.532 10 0 CHAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)NCc1ccco1 ZINC000040178866 174202909 /nfs/dbraw/zinc/20/29/09/174202909.db2.gz ITRGVKDESXHACA-UHFFFAOYSA-N 0 0 299.301 3.917 10 0 CHAERN CCCn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188404 174203015 /nfs/dbraw/zinc/20/30/15/174203015.db2.gz HYOROZLWCGFKAE-UHFFFAOYSA-N 0 0 299.418 3.643 10 0 CHAERN CCCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000040179200 174203062 /nfs/dbraw/zinc/20/30/62/174203062.db2.gz WGMDANLGCZEJHT-UHFFFAOYSA-N 0 0 285.343 3.627 10 0 CHAERN CCn1c2ccccc2nc1Cc1ccccc1C ZINC000040226370 174208490 /nfs/dbraw/zinc/20/84/90/174208490.db2.gz RGBUMWAWGSPCCI-UHFFFAOYSA-N 0 0 250.345 3.955 10 0 CHAERN COc1ccc(Cn2c3ccccc3nc2C2CC2)cc1 ZINC000040231595 174210003 /nfs/dbraw/zinc/21/00/03/174210003.db2.gz FDLACSFQYFBYAP-UHFFFAOYSA-N 0 0 278.355 3.971 10 0 CHAERN COCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000040231976 174210672 /nfs/dbraw/zinc/21/06/72/174210672.db2.gz SCBIWIGEMNNPNB-UHFFFAOYSA-N 0 0 280.371 3.848 10 0 CHAERN COc1ccc([C@@H](O)c2cccs2)c2ccccc12 ZINC000040242985 174213500 /nfs/dbraw/zinc/21/35/00/174213500.db2.gz IONFLUKQMIMBKZ-MRXNPFEDSA-N 0 0 270.353 3.992 10 0 CHAERN COc1ccc(Br)cc1[C@H](O)C(C)(C)C ZINC000040241598 174213558 /nfs/dbraw/zinc/21/35/58/174213558.db2.gz IDPHYANIVWFZME-NSHDSACASA-N 0 0 273.170 3.537 10 0 CHAERN Cc1ccc(O[C@H](C)C(=O)c2c[nH]c3ccccc23)c(N)c1 ZINC000040354826 174245588 /nfs/dbraw/zinc/24/55/88/174245588.db2.gz AXLSLELXOPIEGI-GFCCVEGCSA-N 0 0 294.354 3.709 10 0 CHAERN COCCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040404809 174254037 /nfs/dbraw/zinc/25/40/37/174254037.db2.gz RZIPOQRPKKWWBN-UHFFFAOYSA-N 0 0 276.723 3.596 10 0 CHAERN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCO ZINC000040435058 174261140 /nfs/dbraw/zinc/26/11/40/174261140.db2.gz WLTBUGHQTZWMKY-UHFFFAOYSA-N 0 0 287.306 3.672 10 0 CHAERN CC1(C)[C@H](c2n[nH]c(=S)[nH]2)[C@H]1C=C(Cl)Cl ZINC000040541896 174322817 /nfs/dbraw/zinc/32/28/17/174322817.db2.gz FUERWRKUCNGWOI-XINAWCOVSA-N 0 0 264.181 3.526 10 0 CHAERN Cc1cc(Br)c2nc(C)cc(C)c2c1 ZINC000040544525 174324345 /nfs/dbraw/zinc/32/43/45/174324345.db2.gz ATIYHRMWFANQGZ-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN CCCNc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040682988 174375491 /nfs/dbraw/zinc/37/54/91/174375491.db2.gz SQALWHBFBKLHCB-UHFFFAOYSA-N 0 0 294.358 3.826 10 0 CHAERN Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1N ZINC000040705018 174379509 /nfs/dbraw/zinc/37/95/09/174379509.db2.gz WYRQMMJLYRKZQV-UHFFFAOYSA-N 0 0 292.770 3.551 10 0 CHAERN CN(c1ccccc1)c1ncnc(NC2CCCCC2)c1N ZINC000040708513 174380398 /nfs/dbraw/zinc/38/03/98/174380398.db2.gz IEMKCZKJNIBFQP-UHFFFAOYSA-N 0 0 297.406 3.571 10 0 CHAERN Nc1c(Nc2ccccc2F)ncnc1Oc1ccccc1 ZINC000040759256 174396644 /nfs/dbraw/zinc/39/66/44/174396644.db2.gz AVINOPWSUBKRCR-UHFFFAOYSA-N 0 0 296.305 3.734 10 0 CHAERN COc1cccc(-c2c(N)onc2-c2cccc(C)c2)c1 ZINC000040907985 174431332 /nfs/dbraw/zinc/43/13/32/174431332.db2.gz RWHHMLKHPXCZPP-UHFFFAOYSA-N 0 0 280.327 3.908 10 0 CHAERN O=C(Nc1ccnc2c(F)cccc12)c1ccccc1F ZINC000041058094 174465442 /nfs/dbraw/zinc/46/54/42/174465442.db2.gz GKGSJEVQXKVCIR-UHFFFAOYSA-N 0 0 284.265 3.765 10 0 CHAERN Cc1ccc2nccc(NC(=O)c3cccc(F)c3)c2c1 ZINC000041057323 174465568 /nfs/dbraw/zinc/46/55/68/174465568.db2.gz UGCOHSAJACUJNN-UHFFFAOYSA-N 0 0 280.302 3.935 10 0 CHAERN Cc1ccc(-c2c(N)onc2-c2ccccc2)cc1 ZINC000041305908 174514879 /nfs/dbraw/zinc/51/48/79/174514879.db2.gz XPTAYVPERARQJN-UHFFFAOYSA-N 0 0 250.301 3.899 10 0 CHAERN Cc1ccc(C[C@@H](CO)Cc2ccccc2F)cc1 ZINC000041342455 174526043 /nfs/dbraw/zinc/52/60/43/174526043.db2.gz FENATVHSSLTSSW-OAHLLOKOSA-N 0 0 258.336 3.528 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1ncc(Br)cc1N ZINC000042577802 174802838 /nfs/dbraw/zinc/80/28/38/174802838.db2.gz NJMJBIAUYLYJCQ-JOYOIKCWSA-N 0 0 298.228 3.807 10 0 CHAERN C[C@@H](N(C)c1ccc(N)c2cccnc21)C(C)(C)C ZINC000042739613 174861414 /nfs/dbraw/zinc/86/14/14/174861414.db2.gz VQJIQXZYLBWANC-LLVKDONJSA-N 0 0 257.381 3.688 10 0 CHAERN CC(=O)c1cc(F)ccc1N(CC(F)(F)F)C1CC1 ZINC000042768256 174869983 /nfs/dbraw/zinc/86/99/83/174869983.db2.gz MFRVDQHSNIXKFZ-UHFFFAOYSA-N 0 0 275.245 3.559 10 0 CHAERN CCCn1ccnc1[C@H](O)c1csc2ccccc12 ZINC000042892824 174902698 /nfs/dbraw/zinc/90/26/98/174902698.db2.gz JTCZBKIGBUTOCK-CQSZACIVSA-N 0 0 272.373 3.590 10 0 CHAERN CC/C(=C\c1cccc(OC)c1OC(C)C)[N+](=O)[O-] ZINC000042906155 174907599 /nfs/dbraw/zinc/90/75/99/174907599.db2.gz RNPXYQLZFOSTTG-FMIVXFBMSA-N 0 0 265.309 3.510 10 0 CHAERN O[C@@H](CCCCCc1nc2ccccc2[nH]1)C(F)(F)F ZINC000043463841 175052423 /nfs/dbraw/zinc/05/24/23/175052423.db2.gz NYUGBUKQPFQIQM-LBPRGKRZSA-N 0 0 286.297 3.589 10 0 CHAERN COc1ccc(C[C@@H]2CCCC[C@H]2O)cc1Br ZINC000043658492 175085711 /nfs/dbraw/zinc/08/57/11/175085711.db2.gz ZKOKBKPZGONGES-WCQYABFASA-N 0 0 299.208 3.551 10 0 CHAERN COc1ccc(C[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000043658490 175085859 /nfs/dbraw/zinc/08/58/59/175085859.db2.gz ZKOKBKPZGONGES-AAEUAGOBSA-N 0 0 299.208 3.551 10 0 CHAERN Nc1cccc(OCc2sccc2Br)c1 ZINC000043674184 175087812 /nfs/dbraw/zinc/08/78/12/175087812.db2.gz XDVSDUWBICPDAW-UHFFFAOYSA-N 0 0 284.178 3.672 10 0 CHAERN O[C@@H]1CCCC[C@@H]1Cc1sccc1Br ZINC000043677477 175088228 /nfs/dbraw/zinc/08/82/28/175088228.db2.gz SGNNJRHWYBQCPB-PSASIEDQSA-N 0 0 275.211 3.604 10 0 CHAERN CC[C@H](Cc1cc(Br)cs1)C(C)=O ZINC000043687986 175094822 /nfs/dbraw/zinc/09/48/22/175094822.db2.gz LMPNTSNKTCHGDA-MRVPVSSYSA-N 0 0 261.184 3.668 10 0 CHAERN CC(C)(C)[C@H](O)CCc1cc(Br)cs1 ZINC000043688709 175095997 /nfs/dbraw/zinc/09/59/97/175095997.db2.gz OKTGHJKQUGZYDC-SNVBAGLBSA-N 0 0 277.227 3.850 10 0 CHAERN Fc1ccc(-c2nc(Br)cs2)cc1F ZINC000044119739 175142991 /nfs/dbraw/zinc/14/29/91/175142991.db2.gz KTXPOTXFYISRJY-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN CCN(C[C@H](O)c1cccc(OC)c1)c1cccc(C)c1 ZINC000044161902 175147593 /nfs/dbraw/zinc/14/75/93/175147593.db2.gz JPMYFNWXZNUNFD-SFHVURJKSA-N 0 0 285.387 3.564 10 0 CHAERN Cc1cc(N[C@H]2CCCc3ccccc32)nc(C)n1 ZINC000044711312 175235736 /nfs/dbraw/zinc/23/57/36/175235736.db2.gz GRWFYAJVWXETCZ-HNNXBMFYSA-N 0 0 253.349 3.583 10 0 CHAERN CNc1nc(Cc2ccccc2)nc2sc(C)c(C)c21 ZINC000050841975 175519269 /nfs/dbraw/zinc/51/92/69/175519269.db2.gz RXMPVZVZYKHVPS-UHFFFAOYSA-N 0 0 283.400 3.941 10 0 CHAERN O=C(CCSCc1ccco1)c1cccs1 ZINC000058826568 175629231 /nfs/dbraw/zinc/62/92/31/175629231.db2.gz LAZHPQSNECVOLM-UHFFFAOYSA-N 0 0 252.360 3.847 10 0 CHAERN C[C@@H]1CCC[C@@H]1Nc1ccc(Br)cc1N ZINC000070828222 176008199 /nfs/dbraw/zinc/00/81/99/176008199.db2.gz PWCQOMNHXIPBSI-KCJUWKMLSA-N 0 0 269.186 3.632 10 0 CHAERN Cc1c(C)c(Nc2cc(F)cc(F)c2)nnc1Cl ZINC000071171091 176051430 /nfs/dbraw/zinc/05/14/30/176051430.db2.gz WPVZLLYNMZCOLU-UHFFFAOYSA-N 0 0 269.682 3.769 10 0 CHAERN Cc1c(C)c(Nc2ccc(F)cc2F)nnc1Cl ZINC000071171083 176051441 /nfs/dbraw/zinc/05/14/41/176051441.db2.gz ARLDYBGRADUJQY-UHFFFAOYSA-N 0 0 269.682 3.769 10 0 CHAERN CCOc1cccc(Oc2nnc(Cl)c(C)c2C)c1 ZINC000071170928 176051637 /nfs/dbraw/zinc/05/16/37/176051637.db2.gz QGCFDIVVDBVVOE-UHFFFAOYSA-N 0 0 278.739 3.938 10 0 CHAERN Cc1c(Cl)nnc(N[C@@H](C)Cc2ccccc2)c1C ZINC000071187155 176060754 /nfs/dbraw/zinc/06/07/54/176060754.db2.gz MCWZBCOIIBEHLY-JTQLQIEISA-N 0 0 275.783 3.790 10 0 CHAERN C[C@@H](Cc1cccs1)Nc1ccc(N)cc1F ZINC000071270019 176103169 /nfs/dbraw/zinc/10/31/69/176103169.db2.gz FIMRISSHCIXJNQ-VIFPVBQESA-N 0 0 250.342 3.513 10 0 CHAERN C[C@@H](Cc1cccs1)n1ccc2c1CCC[C@H]2O ZINC000071271789 176104591 /nfs/dbraw/zinc/10/45/91/176104591.db2.gz UUIBLRHUESTJPO-XHDPSFHLSA-N 0 0 261.390 3.723 10 0 CHAERN CCOc1ccc([C@H](C)Nc2cnccc2C)cc1 ZINC000071413256 176158619 /nfs/dbraw/zinc/15/86/19/176158619.db2.gz ANYXIDMUNJYSIX-ZDUSSCGKSA-N 0 0 256.349 3.962 10 0 CHAERN Cc1ccc(C(=O)c2ccccc2N)c2ccccc12 ZINC000071450939 176175276 /nfs/dbraw/zinc/17/52/76/176175276.db2.gz NDQWKXZROVUAGU-UHFFFAOYSA-N 0 0 261.324 3.961 10 0 CHAERN Cc1cccc(C2(C(=O)N[C@@H]3C[C@@H]3C)CCCCC2)c1 ZINC000072094984 176314787 /nfs/dbraw/zinc/31/47/87/176314787.db2.gz BUHGRIZQJLOEHE-GOEBONIOSA-N 0 0 271.404 3.722 10 0 CHAERN Fc1ccc(-c2cc(Br)ccn2)cc1F ZINC000072191825 176336303 /nfs/dbraw/zinc/33/63/03/176336303.db2.gz NYQLREHIEZIJOZ-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN CC(C)(C)c1ccc(-n2cnc(Br)c2)cc1 ZINC000072193549 176336596 /nfs/dbraw/zinc/33/65/96/176336596.db2.gz UTHWDBNNEWGBAZ-UHFFFAOYSA-N 0 0 279.181 3.932 10 0 CHAERN COc1cccc(-c2scnc2Br)c1 ZINC000072192328 176336780 /nfs/dbraw/zinc/33/67/80/176336780.db2.gz RKWSBROFSRURLK-UHFFFAOYSA-N 0 0 270.151 3.581 10 0 CHAERN Clc1cccc(-c2nc(Br)cs2)n1 ZINC000072204108 176341834 /nfs/dbraw/zinc/34/18/34/176341834.db2.gz GXEAEMISVJBBQP-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN Clc1cccc(-c2ncc(Br)s2)n1 ZINC000072204109 176341838 /nfs/dbraw/zinc/34/18/38/176341838.db2.gz XFCRTQIRXBIJEJ-UHFFFAOYSA-N 0 0 275.558 3.621 10 0 CHAERN Clc1cccc(-c2ccc(Br)cn2)n1 ZINC000072204075 176341872 /nfs/dbraw/zinc/34/18/72/176341872.db2.gz GBBFUDVRIVZHQB-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN CCc1ccc(OCc2nc3c(cccc3N)o2)cc1 ZINC000074413084 176543017 /nfs/dbraw/zinc/54/30/17/176543017.db2.gz IESHPHRPKKQHLY-UHFFFAOYSA-N 0 0 268.316 3.551 10 0 CHAERN Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000076855491 177122290 /nfs/dbraw/zinc/12/22/90/177122290.db2.gz MEKPAVJYEJBDPM-UHFFFAOYSA-N 0 0 288.366 3.563 10 0 CHAERN C[C@H](NC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000078652746 177367343 /nfs/dbraw/zinc/36/73/43/177367343.db2.gz WKSHWCMDWBRZBX-VIFPVBQESA-N 0 0 284.197 3.614 10 0 CHAERN CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171748712 335077258 /nfs/dbraw/zinc/07/72/58/335077258.db2.gz DUPLAHNHYPBKPK-OLZOCXBDSA-N 0 0 293.357 3.907 10 0 CHAERN Cc1c(-c2nc(C3CCCC3)no2)cnn1C(C)(C)C ZINC000171792658 335080281 /nfs/dbraw/zinc/08/02/81/335080281.db2.gz XVWFGOLAIZCNEL-UHFFFAOYSA-N 0 0 274.368 3.654 10 0 CHAERN c1ccc(-c2nsc(N3CC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000301536987 227575846 /nfs/dbraw/zinc/57/58/46/227575846.db2.gz ARVLPPRCOUZTJA-TZMCWYRMSA-N 0 0 285.416 3.974 10 0 CHAERN C[C@@H](Nc1nc(-c2ccncc2)nc2c1CCC2)C1CCC1 ZINC000301824794 227692619 /nfs/dbraw/zinc/69/26/19/227692619.db2.gz ILCYRGLFPCSPND-GFCCVEGCSA-N 0 0 294.402 3.628 10 0 CHAERN Cc1ccc(OCCCCNc2cc(C)c(C)nn2)cc1 ZINC000302825253 227890724 /nfs/dbraw/zinc/89/07/24/227890724.db2.gz YKSNFBDPPPPYPR-UHFFFAOYSA-N 0 0 285.391 3.673 10 0 CHAERN Cc1nnc(N[C@@H]2CC[C@@H](C)c3ccccc32)nc1C ZINC000330057853 228027987 /nfs/dbraw/zinc/02/79/87/228027987.db2.gz YDDYCNONFAENJM-MEBBXXQBSA-N 0 0 268.364 3.539 10 0 CHAERN FC1(F)CCC[C@@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000330206456 228066095 /nfs/dbraw/zinc/06/60/95/228066095.db2.gz DGLLMAQNVMEVIW-CHWSQXEVSA-N 0 0 298.381 3.594 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nnc(C(C)C)n1C ZINC000333725967 228211502 /nfs/dbraw/zinc/21/15/02/228211502.db2.gz SIAMWZCVEQIKCN-UHFFFAOYSA-N 0 0 294.424 3.651 10 0 CHAERN Cc1ccncc1-c1noc(C2=CC[C@H](C)CC2)n1 ZINC000333822851 228216030 /nfs/dbraw/zinc/21/60/30/228216030.db2.gz KEMQAYQWXLRIGX-JTQLQIEISA-N 0 0 255.321 3.643 10 0 CHAERN [NH3+][C@H](Cc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000037330659 260091717 /nfs/dbraw/zinc/09/17/17/260091717.db2.gz ADJYAFOWQIVAAH-CQSZACIVSA-N 0 0 299.761 3.633 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2Cc3ccccc3C2)CC(C)(C)C1 ZINC000180092965 260092548 /nfs/dbraw/zinc/09/25/48/260092548.db2.gz AIXGQRRPJREEIG-BBRMVZONSA-N 0 0 271.404 3.991 10 0 CHAERN CCn1c(C)nnc1COc1ccc(C)cc1C(C)(C)C ZINC000180310375 260097633 /nfs/dbraw/zinc/09/76/33/260097633.db2.gz STCNLLOSDDLCCX-UHFFFAOYSA-N 0 0 287.407 3.791 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(C)CCC2CCOCC2)CC(C)(C)C1 ZINC000180431237 260101872 /nfs/dbraw/zinc/10/18/72/260101872.db2.gz NAYQKQNQKAKQHI-HOCLYGCPSA-N 0 0 295.467 3.724 10 0 CHAERN Cc1nc2ccc(NC(=O)CNc3ccccc3)cc2s1 ZINC000037635309 260115539 /nfs/dbraw/zinc/11/55/39/260115539.db2.gz UXXYEPPJWATNNV-UHFFFAOYSA-N 0 0 297.383 3.655 10 0 CHAERN CCC(=O)Nc1ccc(C)c(NCc2cccn2CC)c1 ZINC000091023579 260265043 /nfs/dbraw/zinc/26/50/43/260265043.db2.gz CPJSBTRWXVNGGR-UHFFFAOYSA-N 0 0 285.391 3.777 10 0 CHAERN CSc1ccccc1C(=O)Nc1ccc2c(c1)CCN2 ZINC000092232006 260268726 /nfs/dbraw/zinc/26/87/26/260268726.db2.gz WJQIFBQBBZFYJI-UHFFFAOYSA-N 0 0 284.384 3.629 10 0 CHAERN CC1(C)[C@H](Nc2ccc(F)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000085631106 260376842 /nfs/dbraw/zinc/37/68/42/260376842.db2.gz FQKISKVXOKCXPR-WQAKAFBOSA-N 0 0 269.747 3.705 10 0 CHAERN Cc1nnc(CSc2cccc(Cl)c2)n1C1CC1 ZINC000101801618 260963681 /nfs/dbraw/zinc/96/36/81/260963681.db2.gz GHUDDNUCIPWVEI-UHFFFAOYSA-N 0 0 279.796 3.867 10 0 CHAERN Cc1ccc2nc(NCC3(C)CCOCC3)sc2c1 ZINC000162129982 260968391 /nfs/dbraw/zinc/96/83/91/260968391.db2.gz OCPWFSISBFNERG-UHFFFAOYSA-N 0 0 276.405 3.833 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C=C2CCC2)o1 ZINC000153073915 261072851 /nfs/dbraw/zinc/07/28/51/261072851.db2.gz HBGSTRDRTGJQDP-CQSZACIVSA-N 0 0 259.349 3.752 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)o1 ZINC000153072744 261072944 /nfs/dbraw/zinc/07/29/44/261072944.db2.gz AMBMBPJLSBXAPC-GJZGRUSLSA-N 0 0 291.391 3.601 10 0 CHAERN CC[C@@H](SCc1nnc(C)n1CC)c1ccccc1 ZINC000156387877 261122382 /nfs/dbraw/zinc/12/23/82/261122382.db2.gz XQNOVCUWQYPSMY-CQSZACIVSA-N 0 0 275.421 3.991 10 0 CHAERN O=C(Nc1ccc(O)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000173374689 261163530 /nfs/dbraw/zinc/16/35/30/261163530.db2.gz YXIRVQWWKHUCDJ-CABCVRRESA-N 0 0 259.349 3.547 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ccnc(Cl)c2)s1 ZINC000229735853 261217551 /nfs/dbraw/zinc/21/75/51/261217551.db2.gz BVBYBSSUCZGNDO-MRVPVSSYSA-N 0 0 267.785 3.927 10 0 CHAERN CC(C)(C)c1nc(Cn2nccc2-c2ccncc2)cs1 ZINC000104054488 261290142 /nfs/dbraw/zinc/29/01/42/261290142.db2.gz LYNVPZXRYKXXRT-UHFFFAOYSA-N 0 0 298.415 3.747 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000176519606 261292299 /nfs/dbraw/zinc/29/22/99/261292299.db2.gz QNRPTKNFLIVOAY-FZZIBODNSA-N 0 0 263.768 3.563 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)c2ccco2)c2ccccc21 ZINC000162742847 261293133 /nfs/dbraw/zinc/29/31/33/261293133.db2.gz PZRKPGIWNSJWEH-BXUZGUMPSA-N 0 0 255.317 3.648 10 0 CHAERN CCn1ccnc1CSCc1cccc(OC(F)F)c1 ZINC000176737298 261307551 /nfs/dbraw/zinc/30/75/51/261307551.db2.gz BDIUQMFRAZENRW-UHFFFAOYSA-N 0 0 298.358 3.938 10 0 CHAERN CO[C@H](C)c1cccc(NCc2nc(-c3ccoc3)no2)c1 ZINC000105607206 261311402 /nfs/dbraw/zinc/31/14/02/261311402.db2.gz BRFJGLRBKZIJMA-LLVKDONJSA-N 0 0 299.330 3.649 10 0 CHAERN Fc1cc(Cl)ccc1OCc1nc(-c2ccoc2)no1 ZINC000105572482 261312575 /nfs/dbraw/zinc/31/25/75/261312575.db2.gz KVTGFTIFLDVDFB-UHFFFAOYSA-N 0 0 294.669 3.701 10 0 CHAERN Cc1cc(Br)cnc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301640419 261338742 /nfs/dbraw/zinc/33/87/42/261338742.db2.gz NBAILHQUMSNGHC-RYUDHWBXSA-N 0 0 293.208 3.555 10 0 CHAERN CS[C@@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302526088 261352795 /nfs/dbraw/zinc/35/27/95/261352795.db2.gz BLZVFNROBRFKFV-PSASIEDQSA-N 0 0 292.326 3.676 10 0 CHAERN CCCCc1ccc([C@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164654022 261356669 /nfs/dbraw/zinc/35/66/69/261356669.db2.gz VLMZENDYCPKEMH-YOEHRIQHSA-N 0 0 298.434 3.806 10 0 CHAERN CCc1ccccc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000178321983 261385325 /nfs/dbraw/zinc/38/53/25/261385325.db2.gz OCSVDAIPGAEUJI-HNNXBMFYSA-N 0 0 297.398 3.584 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)C(C)C)o1 ZINC000172667176 261507026 /nfs/dbraw/zinc/50/70/26/261507026.db2.gz KQWOITIVBODVBJ-ZIAGYGMSSA-N 0 0 263.381 3.934 10 0 CHAERN COc1ccccc1NC(=O)c1scnc1C(C)(C)C ZINC000175484671 261609975 /nfs/dbraw/zinc/60/99/75/261609975.db2.gz DKZFRUJUKAKPTF-UHFFFAOYSA-N 0 0 290.388 3.702 10 0 CHAERN CCn1cc(NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000178938250 261762520 /nfs/dbraw/zinc/76/25/20/261762520.db2.gz KTMLCTHHIVJICR-MLGOLLRUSA-N 0 0 298.390 3.663 10 0 CHAERN CCc1nnc(CS[C@@H](C)c2ccc(F)cc2F)n1C ZINC000179823752 261818398 /nfs/dbraw/zinc/81/83/98/261818398.db2.gz DWOZOMZCCKHHRM-VIFPVBQESA-N 0 0 297.374 3.650 10 0 CHAERN CC(C)c1nc(CN[C@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000180728890 261872405 /nfs/dbraw/zinc/87/24/05/261872405.db2.gz LXJIZNUSBQSWCL-SECBINFHSA-N 0 0 297.761 3.836 10 0 CHAERN Cc1ccccc1[C@H](C)NCc1nc(C(C)(C)C)no1 ZINC000181558263 261903152 /nfs/dbraw/zinc/90/31/52/261903152.db2.gz MBJQWPFOCNTOPD-LBPRGKRZSA-N 0 0 273.380 3.526 10 0 CHAERN Cc1ccc(CSCc2nnc(C(C)C)n2C)cc1 ZINC000182345157 261935561 /nfs/dbraw/zinc/93/55/61/261935561.db2.gz WIUANLLZPNMZPD-UHFFFAOYSA-N 0 0 275.421 3.680 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2cccnc2)CC(C)(C)C1 ZINC000182882497 261954038 /nfs/dbraw/zinc/95/40/38/261954038.db2.gz ABGPZXFLEWCBKU-UKRRQHHQSA-N 0 0 274.408 3.502 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2cccc(C)c2C)C12CCOCC2 ZINC000186444290 262093308 /nfs/dbraw/zinc/09/33/08/262093308.db2.gz VYIBSSPLPGPYJB-SJORKVTESA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cccc(C)c2C)C12CCOCC2 ZINC000186444279 262093517 /nfs/dbraw/zinc/09/35/17/262093517.db2.gz VYIBSSPLPGPYJB-IAGOWNOFSA-N 0 0 289.419 3.690 10 0 CHAERN Cc1cc(C)c(C(=O)N2CCC[C@H]2c2csc(C)n2)o1 ZINC000187124447 262124965 /nfs/dbraw/zinc/12/49/65/262124965.db2.gz WHSJUZCZRPRHHD-ZDUSSCGKSA-N 0 0 290.388 3.639 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ccc2ccccc2n1 ZINC000390668374 262237166 /nfs/dbraw/zinc/23/71/66/262237166.db2.gz WNWOZVXGTNDRBA-HNNXBMFYSA-N 0 0 292.382 3.674 10 0 CHAERN Cc1cccc(C(=O)Nc2ccc3c(c2)CCN3)c1C ZINC000063187884 262446798 /nfs/dbraw/zinc/44/67/98/262446798.db2.gz QXFICJJKMKDJSH-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NCC(C)(C)C(C)C)o1 ZINC000189697202 264322749 /nfs/dbraw/zinc/32/27/49/264322749.db2.gz HSXQONMLSDXNDA-LBPRGKRZSA-N 0 0 266.385 3.630 10 0 CHAERN CC(C)[C@@H](C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000190397326 264356348 /nfs/dbraw/zinc/35/63/48/264356348.db2.gz RLKDFRKQFJPTGV-GFCCVEGCSA-N 0 0 279.811 3.823 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC000183884477 264652014 /nfs/dbraw/zinc/65/20/14/264652014.db2.gz NXLUUECZBKKUBY-NSHDSACASA-N 0 0 268.382 3.524 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000226027873 265075553 /nfs/dbraw/zinc/07/55/53/265075553.db2.gz WCUNFHUCVCPKHF-SNVBAGLBSA-N 0 0 273.298 3.932 10 0 CHAERN C[C@@H](Nc1ncnc2c1CCCCC2)c1cccs1 ZINC000094887523 265270467 /nfs/dbraw/zinc/27/04/67/265270467.db2.gz QMCFANPHAMDPFD-LLVKDONJSA-N 0 0 273.405 3.980 10 0 CHAERN Cc1cc(Br)ccc1[C@@]1(O)CC[C@H](C)C1 ZINC000521401753 265441431 /nfs/dbraw/zinc/44/14/31/265441431.db2.gz NLCHEJDZPLUIJL-TVQRCGJNSA-N 0 0 269.182 3.765 10 0 CHAERN O=C(/C=C/c1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000116049373 267121337 /nfs/dbraw/zinc/12/13/37/267121337.db2.gz NWTJHWJNTWLPNO-HVHJFMEUSA-N 0 0 285.318 3.796 10 0 CHAERN O=C([C@@H]1CSc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000118229742 267245204 /nfs/dbraw/zinc/24/52/04/267245204.db2.gz NHRLKLWNASJFHN-KGLIPLIRSA-N 0 0 299.395 3.833 10 0 CHAERN CC[C@@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119142256 267303171 /nfs/dbraw/zinc/30/31/71/267303171.db2.gz APBAWMCWSXNXBL-IAQYHMDHSA-N 0 0 278.371 3.643 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1C[C@H]2CCCCC[C@H]21 ZINC000370714713 267341049 /nfs/dbraw/zinc/34/10/49/267341049.db2.gz CQEBFCPPKOFTRL-GDBMZVCRSA-N 0 0 268.360 3.573 10 0 CHAERN Cc1ccc(F)c(C(=O)N2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000371177712 267360774 /nfs/dbraw/zinc/36/07/74/267360774.db2.gz UKQQVKCGUOYLPE-WFASDCNBSA-N 0 0 261.340 3.539 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC(C)(C)C1 ZINC000120871730 267520956 /nfs/dbraw/zinc/52/09/56/267520956.db2.gz UYVBPDMHARMRIG-BVUBDWEXSA-N 0 0 293.451 3.523 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(F)c2)o1 ZINC000123303694 268035166 /nfs/dbraw/zinc/03/51/66/268035166.db2.gz CKYATCXZNCXUEC-VIFPVBQESA-N 0 0 281.714 3.872 10 0 CHAERN Clc1nc(NCc2ccccc2)cc(-c2ccncc2)n1 ZINC000306337037 268041234 /nfs/dbraw/zinc/04/12/34/268041234.db2.gz SZQKVDJCRHPXQT-UHFFFAOYSA-N 0 0 296.761 3.804 10 0 CHAERN Cc1c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cnn1C ZINC000123465054 268054678 /nfs/dbraw/zinc/05/46/78/268054678.db2.gz YFQWDBJZJFMGDP-LBPRGKRZSA-N 0 0 299.418 3.517 10 0 CHAERN CC(=O)CCCC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000185551826 327840867 /nfs/dbraw/zinc/84/08/67/327840867.db2.gz MDGBYBZIDSBKFG-KRWDZBQOSA-N 0 0 287.403 3.576 10 0 CHAERN C[C@@H]1C[C@@H](Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000040737642 328016175 /nfs/dbraw/zinc/01/61/75/328016175.db2.gz LCLCPFKWNRRPQS-CZUORRHYSA-N 0 0 261.409 3.848 10 0 CHAERN Oc1c(-c2nc(CC(F)(F)F)no2)ccc2ccccc21 ZINC000111689231 328374898 /nfs/dbraw/zinc/37/48/98/328374898.db2.gz DPBQUWZEPBLQEX-UHFFFAOYSA-N 0 0 294.232 3.700 10 0 CHAERN O=C(NCc1cccs1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000129889155 328375009 /nfs/dbraw/zinc/37/50/09/328375009.db2.gz KEVZGKWSQIXIFD-ZIAGYGMSSA-N 0 0 263.406 3.581 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000070124248 328395073 /nfs/dbraw/zinc/39/50/73/328395073.db2.gz KYQAZRADJWQPAX-QWRGUYRKSA-N 0 0 298.224 3.918 10 0 CHAERN CC[C@@]1(Br)COc2cc(C)c(C)cc2O1 ZINC000536955342 330383017 /nfs/dbraw/zinc/38/30/17/330383017.db2.gz PMNZBSZHHRWXKX-LBPRGKRZSA-N 0 0 271.154 3.576 10 0 CHAERN O=C(Nc1ccccc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109078881 326823924 /nfs/dbraw/zinc/82/39/24/326823924.db2.gz CHDNETDMBBJAJS-OLZOCXBDSA-N 0 0 273.282 3.707 10 0 CHAERN COc1cccc(/C(C)=C\c2nc(-c3ccccn3)no2)c1 ZINC000255346475 326965893 /nfs/dbraw/zinc/96/58/93/326965893.db2.gz VDBRWWXXQMGKMR-BENRWUELSA-N 0 0 293.326 3.701 10 0 CHAERN C[C@@H](NC(=O)/C=C\C(C)(C)C)c1cccc(-n2ccnc2)c1 ZINC000255870739 327023016 /nfs/dbraw/zinc/02/30/16/327023016.db2.gz SYHFAZNNICJLMI-QIAWRQBBSA-N 0 0 297.402 3.652 10 0 CHAERN CCOc1ccccc1OCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000088400060 327024953 /nfs/dbraw/zinc/02/49/53/327024953.db2.gz IEMUPALCWYSLLC-CQSZACIVSA-N 0 0 289.375 3.716 10 0 CHAERN CC1(C)C(C(=O)Nc2ccc3c(c2)CCCN3)C1(C)C ZINC000091492723 327102600 /nfs/dbraw/zinc/10/26/00/327102600.db2.gz MMESGAFXNUZZKT-UHFFFAOYSA-N 0 0 272.392 3.665 10 0 CHAERN Cc1c(CNc2ccc(OC(C)C)c(Cl)c2)cnn1C ZINC000093649783 327132920 /nfs/dbraw/zinc/13/29/20/327132920.db2.gz YUOSYOQTFXCAJE-UHFFFAOYSA-N 0 0 293.798 3.781 10 0 CHAERN Cc1c(CNc2cc(C(F)(F)F)ccc2C)cnn1C ZINC000093650388 327132980 /nfs/dbraw/zinc/13/29/80/327132980.db2.gz AQUKPOGWORSDKD-UHFFFAOYSA-N 0 0 283.297 3.668 10 0 CHAERN CCCn1ccc(CNc2cccc(C(=O)OCC)c2)c1 ZINC000091010119 327165141 /nfs/dbraw/zinc/16/51/41/327165141.db2.gz ZQKGCNKQJAEUPU-UHFFFAOYSA-N 0 0 286.375 3.687 10 0 CHAERN CC(C)CCOc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000150878473 327394397 /nfs/dbraw/zinc/39/43/97/327394397.db2.gz RPDFCWOBWBMWHW-CJNGLKHVSA-N 0 0 291.391 3.618 10 0 CHAERN C[C@H](Oc1ccccc1Cl)C(=O)N1CCCC1(C)C ZINC000102918725 328715841 /nfs/dbraw/zinc/71/58/41/328715841.db2.gz CNMBEJQYODPWGX-NSHDSACASA-N 0 0 281.783 3.508 10 0 CHAERN CCCCCC(=O)O[C@@H](C)CC(=O)OCc1ccccc1 ZINC000583653002 328727075 /nfs/dbraw/zinc/72/70/75/328727075.db2.gz SJXULFVVXKXDCG-AWEZNQCLSA-N 0 0 292.375 3.632 10 0 CHAERN Cc1ccc(CC(=O)Nc2ccc(F)c(C)c2)s1 ZINC000103024260 328728393 /nfs/dbraw/zinc/72/83/93/328728393.db2.gz GQBGFNMAHDUNAT-UHFFFAOYSA-N 0 0 263.337 3.685 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CC=CCC3)C2)cc1 ZINC000122303098 329000990 /nfs/dbraw/zinc/00/09/90/329000990.db2.gz RVPWQOFPMXBHEJ-HYVNUMGLSA-N 0 0 299.414 3.756 10 0 CHAERN COC(C)(C)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000173862235 332983922 /nfs/dbraw/zinc/98/39/22/332983922.db2.gz YVRIFNKAEWUSSM-CFVMTHIKSA-N 0 0 281.440 3.523 10 0 CHAERN Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1C ZINC000170632855 329067521 /nfs/dbraw/zinc/06/75/21/329067521.db2.gz OTCWNJUXQZFWHT-UHFFFAOYSA-N 0 0 293.326 3.606 10 0 CHAERN Cc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1C ZINC000170632870 329067541 /nfs/dbraw/zinc/06/75/41/329067541.db2.gz NVXCBLUUHRYBTM-UHFFFAOYSA-N 0 0 293.326 3.606 10 0 CHAERN Cc1nc([C@@H](C)NC(=O)c2c(F)cccc2Cl)cs1 ZINC000170497121 329068602 /nfs/dbraw/zinc/06/86/02/329068602.db2.gz CQUFBRROGNPWML-SSDOTTSWSA-N 0 0 298.770 3.735 10 0 CHAERN O=C(Nc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000170891286 329069552 /nfs/dbraw/zinc/06/95/52/329069552.db2.gz KNDODMZIQZIYOQ-GFCCVEGCSA-N 0 0 287.388 3.555 10 0 CHAERN c1cn2cc(CN3CC=C(c4ccccc4)CC3)nc2s1 ZINC000171074387 329074115 /nfs/dbraw/zinc/07/41/15/329074115.db2.gz IAIAGNFDNPMMOQ-UHFFFAOYSA-N 0 0 295.411 3.685 10 0 CHAERN C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171808023 329080342 /nfs/dbraw/zinc/08/03/42/329080342.db2.gz GYKCKHUQEJNODA-RHSMWYFYSA-N 0 0 295.382 3.505 10 0 CHAERN CC(C)[C@H](C)C(=O)N1CC=C(c2cccs2)CC1 ZINC000172092570 329081001 /nfs/dbraw/zinc/08/10/01/329081001.db2.gz LMFCIPJWLROVIK-LBPRGKRZSA-N 0 0 263.406 3.656 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccs1 ZINC000172111688 329081171 /nfs/dbraw/zinc/08/11/71/329081171.db2.gz IPXOHXFQYFGECR-VXGBXAGGSA-N 0 0 290.388 3.949 10 0 CHAERN CCCN(Cc1nnc(C)n1CC)c1ccc(Cl)cc1 ZINC000171963156 329082637 /nfs/dbraw/zinc/08/26/37/329082637.db2.gz ILYQEWXTCGCKRF-UHFFFAOYSA-N 0 0 292.814 3.676 10 0 CHAERN CC(C)c1nc([C@H]2CCCN2C(=O)C[C@H](C)C(C)C)no1 ZINC000173439441 329146972 /nfs/dbraw/zinc/14/69/72/329146972.db2.gz CLWZELFMLACVKF-QWHCGFSZSA-N 0 0 293.411 3.539 10 0 CHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC000173417737 329147016 /nfs/dbraw/zinc/14/70/16/329147016.db2.gz MNGPCXSFLRDISR-NSHDSACASA-N 0 0 292.429 3.533 10 0 CHAERN Cc1cccc(C)c1NCC(=O)N1CCC[C@H]1c1ccco1 ZINC000173784700 329151998 /nfs/dbraw/zinc/15/19/98/329151998.db2.gz UHWLDKFQFJHCDX-HNNXBMFYSA-N 0 0 298.386 3.672 10 0 CHAERN CC(=O)c1c(F)cccc1N[C@H](C)c1cccc(O)c1 ZINC000174719362 329161069 /nfs/dbraw/zinc/16/10/69/329161069.db2.gz DLYWAXUDJMSJED-SNVBAGLBSA-N 0 0 273.307 3.907 10 0 CHAERN C[C@H](NC(=O)N1C[C@H](C)[C@H]1c1ccccc1)c1ccncc1 ZINC000174814729 329161458 /nfs/dbraw/zinc/16/14/58/329161458.db2.gz FDWKWODSNHJJIF-ZQIUZPCESA-N 0 0 295.386 3.545 10 0 CHAERN C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)c1ccncc1 ZINC000174814720 329161481 /nfs/dbraw/zinc/16/14/81/329161481.db2.gz FDWKWODSNHJJIF-KEYYUXOJSA-N 0 0 295.386 3.545 10 0 CHAERN CCCCCC(C)(C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175431611 329168473 /nfs/dbraw/zinc/16/84/73/329168473.db2.gz IUUAEGJSYUCGIG-UHFFFAOYSA-N 0 0 291.439 3.722 10 0 CHAERN CCC1CCC(NC(=O)c2cscc2C)CC1 ZINC000175500513 329169183 /nfs/dbraw/zinc/16/91/83/329169183.db2.gz WRRDEDNVYQXWQN-UHFFFAOYSA-N 0 0 251.395 3.755 10 0 CHAERN CC(C(=O)Nc1cccc(-c2ncon2)c1)=C1CCCC1 ZINC000176601483 329177190 /nfs/dbraw/zinc/17/71/90/329177190.db2.gz UPACGIWRNXTCSL-UHFFFAOYSA-N 0 0 283.331 3.566 10 0 CHAERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 ZINC000176650735 329177842 /nfs/dbraw/zinc/17/78/42/329177842.db2.gz WARDVILXBLUNKB-KDOFPFPSSA-N 0 0 293.366 3.517 10 0 CHAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(C(C)(C)C)cc1 ZINC000176685478 329177973 /nfs/dbraw/zinc/17/79/73/329177973.db2.gz FTRSWYDIGDQVOX-BBRMVZONSA-N 0 0 298.434 3.761 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)O1 ZINC000178013191 329191493 /nfs/dbraw/zinc/19/14/93/329191493.db2.gz YCRCXSPEEULSNS-MLGOLLRUSA-N 0 0 289.375 3.514 10 0 CHAERN Cc1nnc([C@H](N[C@@H](C)c2ccsc2)c2ccccc2)[nH]1 ZINC000178547597 329198389 /nfs/dbraw/zinc/19/83/89/329198389.db2.gz MSAWIQXIHDMXHC-XHDPSFHLSA-N 0 0 298.415 3.615 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccoc1 ZINC000179811108 329212385 /nfs/dbraw/zinc/21/23/85/329212385.db2.gz AFUCVIFUGSNHGG-LLVKDONJSA-N 0 0 270.332 3.728 10 0 CHAERN CCN(C(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1ccncc1 ZINC000180441270 329217149 /nfs/dbraw/zinc/21/71/49/329217149.db2.gz QKEMAQIENOXFJX-KBPBESRZSA-N 0 0 274.408 3.897 10 0 CHAERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000180164882 329218258 /nfs/dbraw/zinc/21/82/58/329218258.db2.gz BUPUJXXGBGYLSL-BXUZGUMPSA-N 0 0 291.439 3.921 10 0 CHAERN CCn1c(C)nnc1COc1ccc(-c2ccccc2)cc1 ZINC000180308700 329219554 /nfs/dbraw/zinc/21/95/54/329219554.db2.gz ZKEAXEPQZQMPCB-UHFFFAOYSA-N 0 0 293.370 3.852 10 0 CHAERN Cc1cccc(N(C)C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000180602506 329220932 /nfs/dbraw/zinc/22/09/32/329220932.db2.gz LPGJDPPJNBNPCP-OCCSQVGLSA-N 0 0 274.408 3.815 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)o1 ZINC000181244854 329227840 /nfs/dbraw/zinc/22/78/40/329227840.db2.gz DZKNDNOYCPYLFD-ZBEGNZNMSA-N 0 0 269.344 3.560 10 0 CHAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411315 329236457 /nfs/dbraw/zinc/23/64/57/329236457.db2.gz YXHRTZRHWIJDNO-DNVCBOLYSA-N 0 0 289.382 3.917 10 0 CHAERN C[C@H](NC(=O)c1cccc(O)c1)c1ccc(F)c(Cl)c1 ZINC000182218913 329240941 /nfs/dbraw/zinc/24/09/41/329240941.db2.gz JCTFJQQFUASQMH-VIFPVBQESA-N 0 0 293.725 3.676 10 0 CHAERN C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1ccncc1 ZINC000182863081 329245658 /nfs/dbraw/zinc/24/56/58/329245658.db2.gz MWUCBZPHUZNMCO-OLZOCXBDSA-N 0 0 294.358 3.543 10 0 CHAERN CCn1cc([C@H](C)Nc2ccccc2-n2ccc(C)n2)cn1 ZINC000183442528 329247858 /nfs/dbraw/zinc/24/78/58/329247858.db2.gz SNCGSJSTLQGVAE-AWEZNQCLSA-N 0 0 295.390 3.570 10 0 CHAERN CC(C)CC[C@H](C)Nc1cccc2c1OCC[C@@H]2O ZINC000184567378 329260000 /nfs/dbraw/zinc/26/00/00/329260000.db2.gz VLVHOCDYXZAZGC-WFASDCNBSA-N 0 0 263.381 3.739 10 0 CHAERN CCn1c(C)nnc1CSCCCCc1ccccc1 ZINC000184833764 329263154 /nfs/dbraw/zinc/26/31/54/329263154.db2.gz MOSIHMMOOXPVMV-UHFFFAOYSA-N 0 0 289.448 3.863 10 0 CHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCCC2(CC2)C1 ZINC000185410449 329273310 /nfs/dbraw/zinc/27/33/10/329273310.db2.gz BOYLYMXLCZLXLW-GJZGRUSLSA-N 0 0 261.409 3.605 10 0 CHAERN Fc1ccccc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185868927 329333863 /nfs/dbraw/zinc/33/38/63/329333863.db2.gz GGXRQFCUBIOPKI-UHFFFAOYSA-N 0 0 293.345 3.573 10 0 CHAERN Clc1cc(NCc2cncnc2)ccc1Br ZINC000227943841 329335069 /nfs/dbraw/zinc/33/50/69/329335069.db2.gz HWUZCWFVHHEOLW-UHFFFAOYSA-N 0 0 298.571 3.505 10 0 CHAERN C[C@H](CCC1CC1)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186535572 329344931 /nfs/dbraw/zinc/34/49/31/329344931.db2.gz GVVQTQPEIFKDEC-LLVKDONJSA-N 0 0 273.380 3.655 10 0 CHAERN CCCN(CCC)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188606501 329371240 /nfs/dbraw/zinc/37/12/40/329371240.db2.gz OPWARLHFCUQUKV-HNNXBMFYSA-N 0 0 290.407 3.650 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NCc1cccnc1Cl ZINC000188949560 329375954 /nfs/dbraw/zinc/37/59/54/329375954.db2.gz JWYQKCVQIRKPRE-AWEZNQCLSA-N 0 0 288.778 3.657 10 0 CHAERN CC[C@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000189383434 329380651 /nfs/dbraw/zinc/38/06/51/329380651.db2.gz UEYIVBJVPGGQRE-GXTWGEPZSA-N 0 0 275.392 3.841 10 0 CHAERN CC(C)=CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000189579588 329383630 /nfs/dbraw/zinc/38/36/30/329383630.db2.gz UHGJEQXBYYPERD-CQSZACIVSA-N 0 0 288.391 3.554 10 0 CHAERN O=C(CCC1CCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189850008 329389796 /nfs/dbraw/zinc/38/97/96/329389796.db2.gz IILYQKYYTHKXAP-UHFFFAOYSA-N 0 0 299.414 3.662 10 0 CHAERN O=C(C1CCCC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190269095 329394257 /nfs/dbraw/zinc/39/42/57/329394257.db2.gz VEHRQNNJANDKPN-CYBMUJFWSA-N 0 0 293.357 3.861 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C[C@H]2C=CCCC2)n1 ZINC000190363385 329395381 /nfs/dbraw/zinc/39/53/81/329395381.db2.gz OAJRYZFDHLQTAJ-YDHLFZDLSA-N 0 0 290.407 3.887 10 0 CHAERN C/C(=C/c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1)C1CC1 ZINC000190393509 329396233 /nfs/dbraw/zinc/39/62/33/329396233.db2.gz CGXZTFJCBWXUKH-OPLMWYLZSA-N 0 0 276.380 3.802 10 0 CHAERN CC(=O)CC(C)(C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000191663360 329416519 /nfs/dbraw/zinc/41/65/19/329416519.db2.gz QEXLTFUZJVTIQP-UHFFFAOYSA-N 0 0 299.414 3.698 10 0 CHAERN Cc1ccc(C)c(OCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116046836 329544370 /nfs/dbraw/zinc/54/43/70/329544370.db2.gz RUCIFGZDMKQGNU-OAHLLOKOSA-N 0 0 299.370 3.639 10 0 CHAERN Cc1ccc(F)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117565511 329546065 /nfs/dbraw/zinc/54/60/65/329546065.db2.gz YCKSMMFLTZRAPQ-BDJLRTHQSA-N 0 0 285.318 3.637 10 0 CHAERN C[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)C(C)(C)C ZINC000118075388 329546827 /nfs/dbraw/zinc/54/68/27/329546827.db2.gz GKXZQPKGQCOOGX-GFCCVEGCSA-N 0 0 292.448 3.981 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2ccccc2F)cs1 ZINC000336815378 329558616 /nfs/dbraw/zinc/55/86/16/329558616.db2.gz ZMNITIAHNRWDPA-VIFPVBQESA-N 0 0 279.336 3.616 10 0 CHAERN C[C@H](NC(=O)Nc1ccncc1F)c1cccc(Cl)c1 ZINC000124797402 329574053 /nfs/dbraw/zinc/57/40/53/329574053.db2.gz CXBORPFKRKQSSX-VIFPVBQESA-N 0 0 293.729 3.757 10 0 CHAERN Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125076947 329577333 /nfs/dbraw/zinc/57/73/33/329577333.db2.gz NCYVQALFNYGVCS-XHDPSFHLSA-N 0 0 269.344 3.956 10 0 CHAERN Cc1occc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125430331 329582623 /nfs/dbraw/zinc/58/26/23/329582623.db2.gz RENKZYOGVDFKFN-BZNIZROVSA-N 0 0 269.344 3.956 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccnc2)cc1 ZINC000126838043 329594884 /nfs/dbraw/zinc/59/48/84/329594884.db2.gz RTSLBBTXNBXWAR-ZWKOTPCHSA-N 0 0 294.398 3.625 10 0 CHAERN CC(C)=C(F)C(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000128973236 329613636 /nfs/dbraw/zinc/61/36/36/329613636.db2.gz POKQGNZQVQIXNT-UHFFFAOYSA-N 0 0 290.382 3.661 10 0 CHAERN O=C(Nc1cccc(O)c1F)[C@H]1C[C@@H]1C1CCCCC1 ZINC000129755398 329619988 /nfs/dbraw/zinc/61/99/88/329619988.db2.gz BNWSBXUEVILJPL-NEPJUHHUSA-N 0 0 277.339 3.686 10 0 CHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(C)cc1 ZINC000130824078 329628738 /nfs/dbraw/zinc/62/87/38/329628738.db2.gz HISJUZVOMNMXPT-HOCLYGCPSA-N 0 0 298.434 3.725 10 0 CHAERN CCn1c(C)nnc1CSc1cc(C)ccc1C ZINC000194667699 329687709 /nfs/dbraw/zinc/68/77/09/329687709.db2.gz WDJKVUTYMFQEPW-UHFFFAOYSA-N 0 0 261.394 3.516 10 0 CHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000246024207 329769198 /nfs/dbraw/zinc/76/91/98/329769198.db2.gz MVQSKSGLAMYVRU-YCPHGPKFSA-N 0 0 291.391 3.599 10 0 CHAERN CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1Cl ZINC000246045878 329776432 /nfs/dbraw/zinc/77/64/32/329776432.db2.gz PJBBMSRKENQGAS-UGFHNGPFSA-N 0 0 295.810 3.721 10 0 CHAERN CSc1ccc([C@@H](C)[NH2+]CCC(C)(C)C(=O)[O-])cc1F ZINC000263035500 330039928 /nfs/dbraw/zinc/03/99/28/330039928.db2.gz HXDUZWWTDXXRPI-SNVBAGLBSA-N 0 0 299.411 3.699 10 0 CHAERN Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162662959 330104052 /nfs/dbraw/zinc/10/40/52/330104052.db2.gz GMLIZKRLRMPHGR-PIGZYNQJSA-N 0 0 298.386 3.589 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)c2cscn2)c2ccccc21 ZINC000162697549 330108261 /nfs/dbraw/zinc/10/82/61/330108261.db2.gz XFOUFGLYWVQFEN-GWCFXTLKSA-N 0 0 272.373 3.512 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)CC2CCC2)c2ccccc21 ZINC000162799585 330118853 /nfs/dbraw/zinc/11/88/53/330118853.db2.gz RVXLNYJCBXNDSD-MLGOLLRUSA-N 0 0 257.377 3.931 10 0 CHAERN C[C@H](CCc1ccccc1)SCC(=O)NC(C)(C)C ZINC000105633068 330329242 /nfs/dbraw/zinc/32/92/42/330329242.db2.gz QENNGENPZKXOJL-CYBMUJFWSA-N 0 0 279.449 3.656 10 0 CHAERN C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000046743142 330355510 /nfs/dbraw/zinc/35/55/10/330355510.db2.gz HFJFUAJLDGPRNY-CXAGYDPISA-N 0 0 283.371 3.586 10 0 CHAERN CCC1CCC(NC(=O)[C@H](C)Sc2ccccn2)CC1 ZINC000084968017 330363594 /nfs/dbraw/zinc/36/35/94/330363594.db2.gz MSFXOJRWTCMTBF-HSBZDZAISA-N 0 0 292.448 3.647 10 0 CHAERN C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000119818581 330379043 /nfs/dbraw/zinc/37/90/43/330379043.db2.gz GEEUVDMCSVEJAH-RVBZMBCESA-N 0 0 274.191 3.821 10 0 CHAERN Fc1cccc(Br)c1-c1cccnc1 ZINC000536957949 330383652 /nfs/dbraw/zinc/38/36/52/330383652.db2.gz IPLRKJOCQDKSDB-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN O=C(N[C@@H]1COc2ccccc21)c1cc2ccccc2s1 ZINC000058729217 330391102 /nfs/dbraw/zinc/39/11/02/330391102.db2.gz PRCKOZAIYROLPI-CYBMUJFWSA-N 0 0 295.363 3.765 10 0 CHAERN O=C(N[C@@H]1COc2ccccc21)c1cccc2ccccc21 ZINC000058728301 330391114 /nfs/dbraw/zinc/39/11/14/330391114.db2.gz SXCGGKBIWBWLLY-QGZVFWFLSA-N 0 0 289.334 3.703 10 0 CHAERN Cc1ccc(CCCC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000058728980 330391141 /nfs/dbraw/zinc/39/11/41/330391141.db2.gz SGNZZIPNHPXHSG-QGZVFWFLSA-N 0 0 295.382 3.568 10 0 CHAERN C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cnccn1 ZINC000090796119 330396336 /nfs/dbraw/zinc/39/63/36/330396336.db2.gz KARNDZXEYLYPLS-DVOMOZLQSA-N 0 0 267.376 3.766 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cc(NC(C)=O)ccc2C)C1 ZINC000083829143 330483079 /nfs/dbraw/zinc/48/30/79/330483079.db2.gz IVUDTEZYRPIBRK-UONOGXRCSA-N 0 0 260.381 3.944 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncnc3[nH]ccc32)cc1F ZINC000447201805 330862892 /nfs/dbraw/zinc/86/28/92/330862892.db2.gz VKVPDUTWUXQARN-SNVBAGLBSA-N 0 0 270.311 3.579 10 0 CHAERN CO[C@@H](Cc1ccccc1)c1noc(-c2occc2C)n1 ZINC000453216657 331102554 /nfs/dbraw/zinc/10/25/54/331102554.db2.gz SWLJADAGYQSNSS-ZDUSSCGKSA-N 0 0 284.315 3.568 10 0 CHAERN CCc1ncc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000453389912 331127170 /nfs/dbraw/zinc/12/71/70/331127170.db2.gz PWCBRXMMXIAHTM-HNNXBMFYSA-N 0 0 274.339 3.543 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(O)cc1F)[C@H](C)C2 ZINC000163817533 331128635 /nfs/dbraw/zinc/12/86/35/331128635.db2.gz VVFXRKMVUIHQJF-PIGZYNQJSA-N 0 0 299.345 3.503 10 0 CHAERN c1coc([C@H]2CCCCN2Cc2cnc(C3CC3)nc2)c1 ZINC000459358894 331278051 /nfs/dbraw/zinc/27/80/51/331278051.db2.gz XJOJVYLJYPKKIK-OAHLLOKOSA-N 0 0 283.375 3.674 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)/C=C\c2ccc[nH]2)o1 ZINC000491979457 332378013 /nfs/dbraw/zinc/37/80/13/332378013.db2.gz SENBIBCMIAKYSG-JXMNSVBMSA-N 0 0 298.386 3.937 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccoc2)cc1 ZINC000172582315 335109567 /nfs/dbraw/zinc/10/95/67/335109567.db2.gz ZQSZOPNOLDTQIG-SJORKVTESA-N 0 0 283.371 3.823 10 0 CHAERN C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248184089 334296630 /nfs/dbraw/zinc/29/66/30/334296630.db2.gz WYRSAAAFOSVQAF-IIYDPXPESA-N 0 0 295.373 3.653 10 0 CHAERN CC[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000173464103 332972339 /nfs/dbraw/zinc/97/23/39/332972339.db2.gz SSTDHYXOJQCMCB-BBRMVZONSA-N 0 0 278.396 3.871 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@H]1C)c1cccc(Cl)c1 ZINC000174544770 333001974 /nfs/dbraw/zinc/00/19/74/333001974.db2.gz BQXZVZYTJYELAX-MNOVXSKESA-N 0 0 266.772 3.595 10 0 CHAERN COC[C@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175720263 333030433 /nfs/dbraw/zinc/03/04/33/333030433.db2.gz FEVFPIJPWDDMSZ-YNEHKIRRSA-N 0 0 297.826 3.573 10 0 CHAERN C[C@H](NC(=O)NCCC1CC1)c1ccc(F)c(Cl)c1 ZINC000175862027 333035631 /nfs/dbraw/zinc/03/56/31/333035631.db2.gz NMIBKDIGRCGUSH-VIFPVBQESA-N 0 0 284.762 3.639 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2F)cc1F ZINC000088233764 333087289 /nfs/dbraw/zinc/08/72/89/333087289.db2.gz KREQZSWFRJIAQW-SNVBAGLBSA-N 0 0 293.288 3.903 10 0 CHAERN CCC[C@@H]1C[C@H](C(=O)NC2CCC(CC)CC2)CCO1 ZINC000182928677 333118267 /nfs/dbraw/zinc/11/82/67/333118267.db2.gz YAGQMFFDEOPIAD-GYTBAZASSA-N 0 0 281.440 3.667 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCCc2cccc(O)c2)CC(C)(C)C1 ZINC000183511227 333120997 /nfs/dbraw/zinc/12/09/97/333120997.db2.gz PLSRBLVFVCYCOE-UKRRQHHQSA-N 0 0 289.419 3.513 10 0 CHAERN COC[C@H](C)C(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000184382491 333127920 /nfs/dbraw/zinc/12/79/20/333127920.db2.gz JSTYNKLWPMHUMY-AWEZNQCLSA-N 0 0 295.382 3.525 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184388296 333128282 /nfs/dbraw/zinc/12/82/82/333128282.db2.gz YENMXGTVXHFZCB-RYUDHWBXSA-N 0 0 296.361 3.508 10 0 CHAERN CCC1(C(=O)N[C@H]2COc3ccccc32)CCCCC1 ZINC000185810054 333149399 /nfs/dbraw/zinc/14/93/99/333149399.db2.gz HPQWHEDVWVTUTJ-AWEZNQCLSA-N 0 0 273.376 3.597 10 0 CHAERN Cc1ncsc1/C=C/C(=O)N[C@H]1CCCc2ccccc21 ZINC000185949446 333152116 /nfs/dbraw/zinc/15/21/16/333152116.db2.gz GIOKNIFSYSXFPP-FEAKQIBJSA-N 0 0 298.411 3.659 10 0 CHAERN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ncc(C)o1 ZINC000220927536 333170815 /nfs/dbraw/zinc/17/08/15/333170815.db2.gz XIJAMVHSWFUUGS-CHWSQXEVSA-N 0 0 274.364 3.794 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000189066070 333179687 /nfs/dbraw/zinc/17/96/87/333179687.db2.gz XQVRTSKBIFQPQT-CABCVRRESA-N 0 0 299.414 3.660 10 0 CHAERN Cc1ccccc1[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)C(C)C ZINC000191631411 333222509 /nfs/dbraw/zinc/22/25/09/333222509.db2.gz OCTIYJGMTXZDLP-HYVNUMGLSA-N 0 0 289.419 3.623 10 0 CHAERN Cc1ncc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000195372449 333251588 /nfs/dbraw/zinc/25/15/88/333251588.db2.gz YNAXMAYBRYDNJZ-GFCCVEGCSA-N 0 0 279.434 3.635 10 0 CHAERN CC(C)[C@@H](C)NC(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000194785716 333277427 /nfs/dbraw/zinc/27/74/27/333277427.db2.gz JNYGSZOCQJKNQK-GFCCVEGCSA-N 0 0 288.395 3.783 10 0 CHAERN O=C(N[C@H]1COc2ccccc21)c1cc2ccccc2s1 ZINC000194880925 333278574 /nfs/dbraw/zinc/27/85/74/333278574.db2.gz PRCKOZAIYROLPI-ZDUSSCGKSA-N 0 0 295.363 3.765 10 0 CHAERN CCOC(=O)c1sc(NC(=O)[C@@H]2CCC[C@H]2C)cc1C ZINC000230042496 333312518 /nfs/dbraw/zinc/31/25/18/333312518.db2.gz GSSDKTLANYMZLM-MWLCHTKSSA-N 0 0 295.404 3.608 10 0 CHAERN C[C@H]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1 ZINC000230056028 333312770 /nfs/dbraw/zinc/31/27/70/333312770.db2.gz OLXIVZXIDPZBBB-GXFFZTMASA-N 0 0 296.208 3.502 10 0 CHAERN Cc1cnc([C@H](C)NCc2c(C)oc3ccccc32)o1 ZINC000231531068 333325770 /nfs/dbraw/zinc/32/57/70/333325770.db2.gz WYCDXLDZEZXSJT-NSHDSACASA-N 0 0 270.332 3.888 10 0 CHAERN CCc1ncsc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000124283298 333557606 /nfs/dbraw/zinc/55/76/06/333557606.db2.gz LUOINHZWEPEHTC-JTQLQIEISA-N 0 0 292.379 3.644 10 0 CHAERN CC(C)[C@H](C)NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000128329907 333659780 /nfs/dbraw/zinc/65/97/80/333659780.db2.gz SLXJXCRWKWKYJL-NEPJUHHUSA-N 0 0 267.800 3.679 10 0 CHAERN CC[C@@H](NC(=O)c1cc(C)ccc1Br)C(C)C ZINC000128547649 333684807 /nfs/dbraw/zinc/68/48/07/333684807.db2.gz LNHSMPGHHYRTRO-CYBMUJFWSA-N 0 0 298.224 3.922 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000068622012 333714343 /nfs/dbraw/zinc/71/43/43/333714343.db2.gz ZGYQUTXQSWZAFP-CORIIIEPSA-N 0 0 274.408 3.591 10 0 CHAERN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000069721845 333785575 /nfs/dbraw/zinc/78/55/75/333785575.db2.gz PJITZTYSDMCYEP-DZGCQCFKSA-N 0 0 271.360 3.959 10 0 CHAERN CCN(C(=O)c1ccc2cc[nH]c2c1)c1cccc(F)c1 ZINC000070164938 333800245 /nfs/dbraw/zinc/80/02/45/333800245.db2.gz AIHJDNDQHLTBAV-UHFFFAOYSA-N 0 0 282.318 3.974 10 0 CHAERN CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000070557682 333816852 /nfs/dbraw/zinc/81/68/52/333816852.db2.gz PMIVPNUORCBGHU-HOCLYGCPSA-N 0 0 289.419 3.717 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)O1 ZINC000131915103 333968714 /nfs/dbraw/zinc/96/87/14/333968714.db2.gz KCXDFEHYXPFHOX-DFBGVHRSSA-N 0 0 293.382 3.597 10 0 CHAERN CC1(C)CCCN1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000077512882 334107177 /nfs/dbraw/zinc/10/71/77/334107177.db2.gz JBBYPLOQPPVCAC-GHMZBOCLSA-N 0 0 292.345 3.692 10 0 CHAERN CCC(CC)NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000078366870 334132278 /nfs/dbraw/zinc/13/22/78/334132278.db2.gz SBIFFDYUMPDBDC-MWLCHTKSSA-N 0 0 280.334 3.595 10 0 CHAERN CCc1ncsc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000136515022 334156613 /nfs/dbraw/zinc/15/66/13/334156613.db2.gz SHTDGSLLXRZUMU-AWEZNQCLSA-N 0 0 286.400 3.513 10 0 CHAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(F)c(Cl)c1 ZINC000246966384 334272870 /nfs/dbraw/zinc/27/28/70/334272870.db2.gz PWBGQHCYAILDMC-HJUHTLPRSA-N 0 0 281.758 3.702 10 0 CHAERN C[C@@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000245855935 334221630 /nfs/dbraw/zinc/22/16/30/334221630.db2.gz AALZHIPZGBNJNQ-PMUMKWKESA-N 0 0 297.398 3.627 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)O1 ZINC000246004036 334227509 /nfs/dbraw/zinc/22/75/09/334227509.db2.gz KCXDFEHYXPFHOX-BYCMXARLSA-N 0 0 293.382 3.597 10 0 CHAERN C[C@@H](NC(=O)N1C[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000247488041 334282483 /nfs/dbraw/zinc/28/24/83/334282483.db2.gz VLVCVFWZQQHADN-GRYCIOLGSA-N 0 0 296.361 3.856 10 0 CHAERN CCc1onc(C)c1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248428425 334301415 /nfs/dbraw/zinc/30/14/15/334301415.db2.gz PDPSKTOPWPOUOZ-WCFLWFBJSA-N 0 0 291.395 3.588 10 0 CHAERN CC(C)[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000249295467 334331571 /nfs/dbraw/zinc/33/15/71/334331571.db2.gz MDCBNASNVLHWSW-BFHYXJOUSA-N 0 0 299.336 3.568 10 0 CHAERN CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCO[C@@H]1C ZINC000249293557 334331583 /nfs/dbraw/zinc/33/15/83/334331583.db2.gz BMOOYMMBOMXQIT-OWCLPIDISA-N 0 0 281.440 3.619 10 0 CHAERN C[C@H](N[C@H](Cc1ccccc1)C(F)(F)F)C1CCC1 ZINC000090456424 334361420 /nfs/dbraw/zinc/36/14/20/334361420.db2.gz BRYYLHKJCOECJO-SMDDNHRTSA-N 0 0 271.326 3.938 10 0 CHAERN CCC(C)(C)NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000163059576 334463068 /nfs/dbraw/zinc/46/30/68/334463068.db2.gz XNEQXQBTRLRPHF-ZJUUUORDSA-N 0 0 280.334 3.595 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CC=CCC1 ZINC000153208130 334570613 /nfs/dbraw/zinc/57/06/13/334570613.db2.gz UTIGFIBQQAWSQO-LRDDRELGSA-N 0 0 273.351 3.676 10 0 CHAERN CC(C)(C)CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153275961 334581392 /nfs/dbraw/zinc/58/13/92/334581392.db2.gz GHOLZIMWGOQUDE-AWEZNQCLSA-N 0 0 263.356 3.756 10 0 CHAERN Cc1cc(NC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000154254321 334691682 /nfs/dbraw/zinc/69/16/82/334691682.db2.gz NJEHAWADVFJNEJ-YGRLFVJLSA-N 0 0 285.347 3.743 10 0 CHAERN C[C@H](Nc1nnc(C(F)F)s1)c1cccs1 ZINC000269258896 334722079 /nfs/dbraw/zinc/72/20/79/334722079.db2.gz AOXKSJRFHRKHLI-YFKPBYRVSA-N 0 0 261.322 3.710 10 0 CHAERN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000158514118 334803915 /nfs/dbraw/zinc/80/39/15/334803915.db2.gz RRKPVAZVASIQCR-JKSUJKDBSA-N 0 0 275.392 3.763 10 0 CHAERN CC(C)n1nccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159042148 334818666 /nfs/dbraw/zinc/81/86/66/334818666.db2.gz SAPODONPIFWFHW-KGLIPLIRSA-N 0 0 275.396 3.619 10 0 CHAERN CC(C)n1nccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159042415 334818797 /nfs/dbraw/zinc/81/87/97/334818797.db2.gz SAPODONPIFWFHW-KBPBESRZSA-N 0 0 275.396 3.619 10 0 CHAERN CCCCN(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000166441966 334913854 /nfs/dbraw/zinc/91/38/54/334913854.db2.gz GQUZJKKIIAMIHH-OAHLLOKOSA-N 0 0 278.371 3.645 10 0 CHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000176774836 335330362 /nfs/dbraw/zinc/33/03/62/335330362.db2.gz FXJPVGHERNPWEA-CQSZACIVSA-N 0 0 285.347 3.660 10 0 CHAERN CC(=O)c1ccc(F)cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000184878123 335938650 /nfs/dbraw/zinc/93/86/50/335938650.db2.gz BINKFKRTDAOMKP-UHFFFAOYSA-N 0 0 296.301 3.762 10 0 CHAERN CC(C)c1nnc(CNc2cccc(C(F)(F)F)c2)n1C ZINC000194981752 336041782 /nfs/dbraw/zinc/04/17/82/336041782.db2.gz PSGDEPUVNDMAQV-UHFFFAOYSA-N 0 0 298.312 3.569 10 0 CHAERN CCOc1cc(Cl)c2c(c1OCC)[C@@H](O)CCC2 ZINC000054742901 520733604 /nfs/dbraw/zinc/73/36/04/520733604.db2.gz GQTJEQIAXGTAPZ-NSHDSACASA-N 0 0 270.756 3.507 10 0 CHAERN C[C@@H]1CCC[C@H](c2noc([C@@H]3CCCC(=O)N3)n2)C1 ZINC000329597851 533882038 /nfs/dbraw/zinc/88/20/38/533882038.db2.gz PNSZFPXFFRFARK-VWYCJHECSA-N 0 0 263.341 3.545 10 0 CHAERN Brc1csc(Cn2ncc3ccccc32)c1 ZINC000050527369 518237678 /nfs/dbraw/zinc/23/76/78/518237678.db2.gz NIGNJCWGBMAHPA-UHFFFAOYSA-N 0 0 293.189 3.909 10 0 CHAERN CC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)ccc1O ZINC000058638468 518995252 /nfs/dbraw/zinc/99/52/52/518995252.db2.gz AGHRSYDXIACWAH-UHFFFAOYSA-N 0 0 295.382 3.846 10 0 in-vitro CHAERN CC(C)CCN(C)C(=O)c1ccccc1NC(C)C ZINC000062819785 519650220 /nfs/dbraw/zinc/65/02/20/519650220.db2.gz ISWFJTDSVOWSDX-UHFFFAOYSA-N 0 0 262.397 3.625 10 0 CHAERN Fc1cc(F)c2nccc(N[C@H]3CCCSC3)c2c1 ZINC000302501362 534447423 /nfs/dbraw/zinc/44/74/23/534447423.db2.gz LQNJWAIERGSCPK-JTQLQIEISA-N 0 0 280.343 3.821 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000079828553 519791835 /nfs/dbraw/zinc/79/18/35/519791835.db2.gz BZURFRBXFNMRJP-GFCCVEGCSA-N 0 0 278.371 3.544 10 0 CHAERN CC(C)[C@@H](Cc1ccc(C(F)(F)F)cc1)[C@H](C)O ZINC000061688778 519795848 /nfs/dbraw/zinc/79/58/48/519795848.db2.gz QFQNSADKVWMWLN-GXFFZTMASA-N 0 0 260.299 3.901 10 0 CHAERN CC(C)[C@@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061277233 519799792 /nfs/dbraw/zinc/79/97/92/519799792.db2.gz WMNVDCZPGZDWHD-CQSZACIVSA-N 0 0 273.405 3.836 10 0 CHAERN CC(C)[C@H](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)O ZINC000061688633 519816809 /nfs/dbraw/zinc/81/68/09/519816809.db2.gz DGPHVTZUNYZOTM-MFKMUULPSA-N 0 0 276.298 3.781 10 0 CHAERN CC(C)[C@H]1CCC(=O)[C@H](CCOCC(F)(F)F)C1 ZINC000054630125 519824508 /nfs/dbraw/zinc/82/45/08/519824508.db2.gz DCTUXSDGICSMQM-WDEREUQCSA-N 0 0 266.303 3.597 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)c1cncc(F)c1 ZINC000049576892 519825888 /nfs/dbraw/zinc/82/58/88/519825888.db2.gz NRGVACQKWWKASU-NILFDRSVSA-N 0 0 251.345 3.501 10 0 CHAERN CC(C)c1cccc(OCCCCC(N)=S)c1 ZINC000049583078 519843173 /nfs/dbraw/zinc/84/31/73/519843173.db2.gz XQRREPQETCHJOM-UHFFFAOYSA-N 0 0 251.395 3.645 10 0 CHAERN CC(C)c1ccccc1OCCCCC(N)=S ZINC000049582958 519847523 /nfs/dbraw/zinc/84/75/23/519847523.db2.gz JQUGVSWIZJPTDM-UHFFFAOYSA-N 0 0 251.395 3.645 10 0 CHAERN CC(C)c1nc(CSc2ccc(N)cn2)cs1 ZINC000049277046 519865107 /nfs/dbraw/zinc/86/51/07/519865107.db2.gz GJUXKGLDYDQQJL-UHFFFAOYSA-N 0 0 265.407 3.536 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1Cc1ccc(F)cc1 ZINC000052842175 519869599 /nfs/dbraw/zinc/86/95/99/519869599.db2.gz XVNJXNYOMFNINZ-UHFFFAOYSA-N 0 0 283.350 3.929 10 0 CHAERN CC(C)c1nn(C)cc1N[C@@H](C)c1cc(F)cc(F)c1 ZINC000280184423 519883830 /nfs/dbraw/zinc/88/38/30/519883830.db2.gz ANDURKBYXIQQPE-JTQLQIEISA-N 0 0 279.334 3.995 10 0 CHAERN CCCCCC[C@H](C)NC(=O)c1cc(N)c(C)s1 ZINC000049191543 520130728 /nfs/dbraw/zinc/13/07/28/520130728.db2.gz NXKLJTWZXSWFLU-JTQLQIEISA-N 0 0 268.426 3.727 10 0 CHAERN CCCCCC[C@H]1CN(c2cccc(O)c2)C(=O)O1 ZINC000049069367 520134960 /nfs/dbraw/zinc/13/49/60/520134960.db2.gz KGRPWDPRMSZZBB-AWEZNQCLSA-N 0 0 263.337 3.688 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)N(C)[C@H](C)CC ZINC000053000897 520152482 /nfs/dbraw/zinc/15/24/82/520152482.db2.gz HYHANQMXIRNPIC-CYBMUJFWSA-N 0 0 262.397 3.687 10 0 CHAERN CCCNc1ccc(C(=O)Nc2nc(C)cs2)cc1 ZINC000050723057 520152546 /nfs/dbraw/zinc/15/25/46/520152546.db2.gz FPAKMJRBLQQZIP-UHFFFAOYSA-N 0 0 275.377 3.526 10 0 CHAERN CCCCCN(C)c1cc(Cl)ccc1C(N)=S ZINC000062788039 520155561 /nfs/dbraw/zinc/15/55/61/520155561.db2.gz KWHRKIZDZAQKPQ-UHFFFAOYSA-N 0 0 270.829 3.601 10 0 CHAERN CCCNc1ccccc1C(=O)N(C)[C@@H](C)C(C)C ZINC000050754757 520175889 /nfs/dbraw/zinc/17/58/89/520175889.db2.gz KMDGELPVWKENHD-ZDUSSCGKSA-N 0 0 262.397 3.625 10 0 CHAERN CCCNc1ccccc1C(=O)Nc1nc(C)cs1 ZINC000050722969 520177710 /nfs/dbraw/zinc/17/77/10/520177710.db2.gz FGAIBEPKCBIGOX-UHFFFAOYSA-N 0 0 275.377 3.526 10 0 CHAERN CCNc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1 ZINC000050774533 520280706 /nfs/dbraw/zinc/28/07/06/520280706.db2.gz JJZFKYLODVBJJV-GFCCVEGCSA-N 0 0 262.397 3.625 10 0 CHAERN CCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190070008 520315000 /nfs/dbraw/zinc/31/50/00/520315000.db2.gz HVSOVLVVPKVMIV-CMPLNLGQSA-N 0 0 296.798 3.525 10 0 CHAERN CCNc1ccccc1C(=O)N1CCCCCCC1 ZINC000050722831 520337849 /nfs/dbraw/zinc/33/78/49/520337849.db2.gz LIYPAZNAXZHBEN-UHFFFAOYSA-N 0 0 260.381 3.525 10 0 CHAERN CCNc1ccnc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000050865607 520344071 /nfs/dbraw/zinc/34/40/71/520344071.db2.gz KQZPRLYKWREPGD-UHFFFAOYSA-N 0 0 268.147 3.882 10 0 CHAERN CCNc1ncccc1CSc1ccccc1OC ZINC000052756548 520379009 /nfs/dbraw/zinc/37/90/09/520379009.db2.gz GHHWYOXMYFTPNW-UHFFFAOYSA-N 0 0 274.389 3.814 10 0 CHAERN CCCCN(c1c(F)cc(CO)cc1F)[C@H](C)CC ZINC000062722284 520552907 /nfs/dbraw/zinc/55/29/07/520552907.db2.gz KJMGUBFBRYBHCP-LLVKDONJSA-N 0 0 271.351 3.862 10 0 CHAERN CC1(C)[C@H](Nc2cccc(-c3cnco3)c2)[C@@H]2CCCO[C@@H]21 ZINC000151815943 520674149 /nfs/dbraw/zinc/67/41/49/520674149.db2.gz YHNVHPHYEVNZHU-UAGQMJEPSA-N 0 0 298.386 3.957 10 0 CHAERN CCCCOCCNc1cc(Cl)ccc1OC ZINC000049261912 520784867 /nfs/dbraw/zinc/78/48/67/520784867.db2.gz PKDMEKBXWYILCZ-UHFFFAOYSA-N 0 0 257.761 3.577 10 0 CHAERN CCC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccsc1 ZINC000187793578 520792949 /nfs/dbraw/zinc/79/29/49/520792949.db2.gz RYZFOTAPQIKJSQ-KGLIPLIRSA-N 0 0 290.436 3.614 10 0 CHAERN CCOc1ccc(C(=O)c2ccc(F)c(C)c2)cc1 ZINC000055199773 520923488 /nfs/dbraw/zinc/92/34/88/520923488.db2.gz DWZKDJKFDGYTJS-UHFFFAOYSA-N 0 0 258.292 3.764 10 0 CHAERN CCC[C@@](C)([NH2+][C@@H](c1cccs1)C(C)C)C(=O)[O-] ZINC000049562248 520926934 /nfs/dbraw/zinc/92/69/34/520926934.db2.gz DSVJVBMYOZXCIU-TZMCWYRMSA-N 0 0 269.410 3.678 10 0 CHAERN CCC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000054716315 521239759 /nfs/dbraw/zinc/23/97/59/521239759.db2.gz WRNACNAKVHKDPP-UHFFFAOYSA-N 0 0 276.767 3.794 10 0 CHAERN CCCc1cc(N)c2c(Br)ccc(OC)c2n1 ZINC000050871102 521367152 /nfs/dbraw/zinc/36/71/52/521367152.db2.gz XRGXLTZLPGHLJS-UHFFFAOYSA-N 0 0 295.180 3.541 10 0 CHAERN CCCc1nc(CN2CCCC[C@H]2c2ccc(C)o2)no1 ZINC000124716589 521507259 /nfs/dbraw/zinc/50/72/59/521507259.db2.gz OUVPFDVXDCEMMT-ZDUSSCGKSA-N 0 0 289.379 3.651 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](C)C1CCCCC1 ZINC000052341428 521570232 /nfs/dbraw/zinc/57/02/32/521570232.db2.gz QMVDVVCFZVJPTN-SNVBAGLBSA-N 0 0 253.415 3.661 10 0 CHAERN CCOC(=O)c1cnn(C2CCCCC2)c1C(F)(F)F ZINC000063126387 521580033 /nfs/dbraw/zinc/58/00/33/521580033.db2.gz SWMQPFWWHHFVCS-UHFFFAOYSA-N 0 0 290.285 3.584 10 0 CHAERN CCOc1ccccc1[C@@](C)(O)c1ccc(C)cc1 ZINC000055239770 521580744 /nfs/dbraw/zinc/58/07/44/521580744.db2.gz IDZWDSAFQSNIGD-KRWDZBQOSA-N 0 0 256.345 3.650 10 0 CHAERN CC[C@H](C)[C@](C)(O)c1ccccc1OC(F)(F)F ZINC000055192660 522021044 /nfs/dbraw/zinc/02/10/44/522021044.db2.gz PAIGIDPWILOEGD-CABZTGNLSA-N 0 0 262.271 3.839 10 0 CHAERN CC[C@H](C)c1ccccc1Oc1cccc(CO)n1 ZINC000051042848 522047810 /nfs/dbraw/zinc/04/78/10/522047810.db2.gz GOICYZXTXHASAL-LBPRGKRZSA-N 0 0 257.333 3.880 10 0 CHAERN CN(C)c1ncccc1N[C@@H]1CCCc2sccc21 ZINC000061326858 522379393 /nfs/dbraw/zinc/37/93/93/522379393.db2.gz QIWRFMKWCSQCIK-GFCCVEGCSA-N 0 0 273.405 3.699 10 0 CHAERN COc1cc(CO)cc(Cl)c1OCCC(C)(C)C ZINC000049255111 522498132 /nfs/dbraw/zinc/49/81/32/522498132.db2.gz QOUIFSYMRUYSIZ-UHFFFAOYSA-N 0 0 272.772 3.656 10 0 CHAERN CNc1cc(C)nc(-c2cccc(Cl)c2Cl)n1 ZINC000050864465 522565146 /nfs/dbraw/zinc/56/51/46/522565146.db2.gz UIZAKFVZJLZXHS-UHFFFAOYSA-N 0 0 268.147 3.801 10 0 CHAERN CNc1cc(COc2cc(C)ccc2Cl)ccn1 ZINC000052755395 522567056 /nfs/dbraw/zinc/56/70/56/522567056.db2.gz VUCRFGLRABIZBK-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1cc(COc2ccc(Cl)cc2C)ccn1 ZINC000052754597 522567068 /nfs/dbraw/zinc/56/70/68/522567068.db2.gz QHHRLWKOZJHFGM-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN CNc1ccc(Cl)c(CN(C)c2ccc(C)cc2)n1 ZINC000061638417 522622199 /nfs/dbraw/zinc/62/21/99/522622199.db2.gz INEJFAHKTCRBCB-UHFFFAOYSA-N 0 0 275.783 3.722 10 0 CHAERN CC[C@H]([NH2+][C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000049356976 522686343 /nfs/dbraw/zinc/68/63/43/522686343.db2.gz RWBUTZPYSILTJZ-CPCISQLKSA-N 0 0 276.163 3.507 10 0 CHAERN CNc1nc2c(o1)c(Br)c(Cl)cc2Cl ZINC000062561163 522687746 /nfs/dbraw/zinc/68/77/46/522687746.db2.gz JLMZVRNCYNGMTE-UHFFFAOYSA-N 0 0 295.951 3.939 10 0 CHAERN CNc1nc2c(o1)c(Cl)cc(Br)c2C ZINC000062556775 522688210 /nfs/dbraw/zinc/68/82/10/522688210.db2.gz GKFJWCLGMMGPFE-UHFFFAOYSA-N 0 0 275.533 3.594 10 0 CHAERN CNc1ncccc1CO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000052755064 522709651 /nfs/dbraw/zinc/70/96/51/522709651.db2.gz DLSWNPWHETVVRY-JSGCOSHPSA-N 0 0 262.397 3.855 10 0 CHAERN CCc1nnc(-c2cccc(NC(=O)C(F)=C(C)C)c2)o1 ZINC000150993719 522719859 /nfs/dbraw/zinc/71/98/59/522719859.db2.gz JGNLQRRIBVWZJS-UHFFFAOYSA-N 0 0 289.310 3.501 10 0 CHAERN CC[C@H]([NH2+][C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000049356108 522729249 /nfs/dbraw/zinc/72/92/49/522729249.db2.gz YRWBARCVYIQITD-HQJQHLMTSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H](Nc1cnn(CCOC)c1)c1cccc(Cl)c1 ZINC000037090613 522779075 /nfs/dbraw/zinc/77/90/75/522779075.db2.gz YTVYKDIUZLKOGU-HNNXBMFYSA-N 0 0 293.798 3.746 10 0 CHAERN CCc1oc(C(=O)N2CCC[C@@H]2c2ccco2)cc1C ZINC000156088761 522976498 /nfs/dbraw/zinc/97/64/98/522976498.db2.gz PUWCTHPANSMOIG-GFCCVEGCSA-N 0 0 273.332 3.721 10 0 CHAERN CC[C@H]1CC[C@H](c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)O1 ZINC000299743592 523205573 /nfs/dbraw/zinc/20/55/73/523205573.db2.gz LNGGWAGUHOZXTL-RVMXOQNASA-N 0 0 294.395 3.618 10 0 CHAERN CC[C@@H]1CCCN(c2ccc(Cl)cc2C(N)=S)C1 ZINC000052858362 523254647 /nfs/dbraw/zinc/25/46/47/523254647.db2.gz LXRBLIUXXNYBCF-SNVBAGLBSA-N 0 0 282.840 3.601 10 0 CHAERN Cc1ncc(-c2nc(C(C)(C)C3CCC3)no2)s1 ZINC000333265216 534723209 /nfs/dbraw/zinc/72/32/09/534723209.db2.gz VCAQTSZQNOHYQR-UHFFFAOYSA-N 0 0 263.366 3.579 10 0 CHAERN COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000052233220 523652146 /nfs/dbraw/zinc/65/21/46/523652146.db2.gz CFVGETJEMBTYQS-LLVKDONJSA-N 0 0 260.255 3.618 10 0 CHAERN CCc1c(C)nc(COc2ccccc2)nc1Cl ZINC000054436311 523710561 /nfs/dbraw/zinc/71/05/61/523710561.db2.gz YFEQUASOBSGZOW-UHFFFAOYSA-N 0 0 262.740 3.580 10 0 CHAERN CCn1nccc1CN1CCCC[C@H]1c1ccc(C)o1 ZINC000126980608 523727605 /nfs/dbraw/zinc/72/76/05/523727605.db2.gz HWLMGRANDSQJAW-HNNXBMFYSA-N 0 0 273.380 3.532 10 0 CHAERN Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000334632444 534733081 /nfs/dbraw/zinc/73/30/81/534733081.db2.gz OUIJGRXHWNINSM-ZYHUDNBSSA-N 0 0 264.756 3.665 10 0 CHAERN CCc1cc(NC)nc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000050851062 523819493 /nfs/dbraw/zinc/81/94/93/523819493.db2.gz QYEDACFADOLTPX-UHFFFAOYSA-N 0 0 296.201 3.978 10 0 CHAERN CCc1cc(OCc2ccnc(NC)c2)ccc1Cl ZINC000052755419 523840979 /nfs/dbraw/zinc/84/09/79/523840979.db2.gz AVKAWBOZSUIEMG-UHFFFAOYSA-N 0 0 276.767 3.918 10 0 CHAERN CCc1cc(Oc2ccc(C(C)=O)cc2Cl)nc(C)n1 ZINC000120386633 523842603 /nfs/dbraw/zinc/84/26/03/523842603.db2.gz YWLKASUOXFOPKL-UHFFFAOYSA-N 0 0 290.750 3.996 10 0 CHAERN CCc1ccc(Cn2nc(C)c(Br)c2C)s1 ZINC000050594540 523955935 /nfs/dbraw/zinc/95/59/35/523955935.db2.gz VSPHEJGEYANGBM-UHFFFAOYSA-N 0 0 299.237 3.935 10 0 CHAERN Cc1cccc(-c2c(N)n[nH]c2-c2ccsc2)c1 ZINC000055332014 524104193 /nfs/dbraw/zinc/10/41/93/524104193.db2.gz WACMIQFOIMMVIN-UHFFFAOYSA-N 0 0 255.346 3.696 10 0 CHAERN C[C@@H]1CCCC[C@@]1(O)Cc1c(F)cccc1Cl ZINC000049346191 524152695 /nfs/dbraw/zinc/15/26/95/524152695.db2.gz PWWOCSZPQDOCAS-QMTHXVAHSA-N 0 0 256.748 3.963 10 0 CHAERN Cc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1N ZINC000049632919 524189330 /nfs/dbraw/zinc/18/93/30/524189330.db2.gz XCFLZCXKBXKZDD-UHFFFAOYSA-N 0 0 262.397 3.522 10 0 CHAERN COc1ccc(Cl)cc1C1(O)CCCCCC1 ZINC000055190204 524198813 /nfs/dbraw/zinc/19/88/13/524198813.db2.gz NVLPBUFEAQPYDN-UHFFFAOYSA-N 0 0 254.757 3.890 10 0 CHAERN C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2N)[C@@H]1C ZINC000050564016 524246366 /nfs/dbraw/zinc/24/63/66/524246366.db2.gz GHCIZPXVMRKPHT-NXEZZACHSA-N 0 0 272.314 3.912 10 0 CHAERN COc1ccc(Cl)cc1[C@@H]1CCCCCC1=O ZINC000055230621 524253960 /nfs/dbraw/zinc/25/39/60/524253960.db2.gz POTZPKJWAWUYCJ-NSHDSACASA-N 0 0 252.741 3.965 10 0 CHAERN Cc1cccc(N2CC=C(c3cccs3)CC2)n1 ZINC000157620876 524536090 /nfs/dbraw/zinc/53/60/90/524536090.db2.gz IWYAUCIYVJUBNX-UHFFFAOYSA-N 0 0 256.374 3.745 10 0 CHAERN Cc1ccc(CNc2nc3cc(F)ccc3s2)o1 ZINC000053040720 524622491 /nfs/dbraw/zinc/62/24/91/524622491.db2.gz DVBCQNVJGMWIFZ-UHFFFAOYSA-N 0 0 262.309 3.949 10 0 CHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)O1 ZINC000156381501 524627356 /nfs/dbraw/zinc/62/73/56/524627356.db2.gz FWGQPQPZFIQRHZ-CZUORRHYSA-N 0 0 291.391 3.508 10 0 CHAERN COc1ccccc1[C@@H](O)Cc1ccc(Cl)s1 ZINC000053781008 524740799 /nfs/dbraw/zinc/74/07/99/524740799.db2.gz HGTGORYDPIKVSL-NSHDSACASA-N 0 0 268.765 3.686 10 0 CHAERN COc1ccccc1[C@@H](O)c1cc2ccccc2o1 ZINC000062797324 524743788 /nfs/dbraw/zinc/74/37/88/524743788.db2.gz RTQYXXOZKNFTFU-MRXNPFEDSA-N 0 0 254.285 3.523 10 0 CHAERN C[C@H](Cc1ccco1)Nc1cc(F)c(F)cc1F ZINC000062772150 524746846 /nfs/dbraw/zinc/74/68/46/524746846.db2.gz HYFYSNLILNOFSN-MRVPVSSYSA-N 0 0 255.239 3.740 10 0 CHAERN Cc1cc(CN[C@H](C)c2ccc(F)c(Cl)c2)no1 ZINC000044692476 524777378 /nfs/dbraw/zinc/77/73/78/524777378.db2.gz QRKGLFVTIVBJEA-SECBINFHSA-N 0 0 268.719 3.626 10 0 CHAERN Cc1cc(CO)ccc1N1CCC(C(C)(C)C)CC1 ZINC000060116559 524793539 /nfs/dbraw/zinc/79/35/39/524793539.db2.gz FROIWXXWWYPCJT-UHFFFAOYSA-N 0 0 261.409 3.750 10 0 CHAERN Cc1ccc(F)cc1-c1n[nH]c(C2CCCCC2)n1 ZINC000062666511 524837725 /nfs/dbraw/zinc/83/77/25/524837725.db2.gz IBFLKNAGCXCMAU-UHFFFAOYSA-N 0 0 259.328 3.967 10 0 CHAERN Cc1cccc([C@H]2CCCN2C(=O)N[C@@H](C)C(C)(C)C)n1 ZINC000151451634 524890664 /nfs/dbraw/zinc/89/06/64/524890664.db2.gz IQNMCZQSMDEWPR-DZGCQCFKSA-N 0 0 289.423 3.671 10 0 CHAERN Cc1ccc(N)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000052999753 524903058 /nfs/dbraw/zinc/90/30/58/524903058.db2.gz OHCIHYLPWFRELI-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1cc(F)c(F)cc1F ZINC000062772149 524930450 /nfs/dbraw/zinc/93/04/50/524930450.db2.gz HYFYSNLILNOFSN-QMMMGPOBSA-N 0 0 255.239 3.740 10 0 CHAERN Cc1cc(N)c(NC(=O)Nc2ccccc2)cc1C ZINC000050439570 525033288 /nfs/dbraw/zinc/03/32/88/525033288.db2.gz SECBIXNZSKHRAY-UHFFFAOYSA-N 0 0 255.321 3.530 10 0 CHAERN Cc1cc(N2CCc3sccc3[C@H]2C)ccc1C=O ZINC000050575319 525094828 /nfs/dbraw/zinc/09/48/28/525094828.db2.gz XXZYCNHCUZSMHD-GFCCVEGCSA-N 0 0 271.385 3.993 10 0 CHAERN Cc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1Cl ZINC000050694057 525251922 /nfs/dbraw/zinc/25/19/22/525251922.db2.gz GSQRAFGKYHCPCS-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Cc1cc(NCc2ccc[nH]2)ccc1Br ZINC000051787918 525279786 /nfs/dbraw/zinc/27/97/86/525279786.db2.gz FNNUQFFLQMMCPX-UHFFFAOYSA-N 0 0 265.154 3.698 10 0 CHAERN Cc1cc(Nc2ccc3c(c2)CCC3)nc(Cl)n1 ZINC000052814135 525308456 /nfs/dbraw/zinc/30/84/56/525308456.db2.gz ZJDOFDNJNOAEPX-UHFFFAOYSA-N 0 0 259.740 3.671 10 0 CHAERN COc1ccc([C@H](C)Nc2cccc(C)n2)cc1OC ZINC000040491193 525337898 /nfs/dbraw/zinc/33/78/98/525337898.db2.gz DHHISSUJMASYHC-LBPRGKRZSA-N 0 0 272.348 3.580 10 0 CHAERN Cc1ccccc1SCc1nc(N)ccc1Cl ZINC000061640733 525340517 /nfs/dbraw/zinc/34/05/17/525340517.db2.gz UPDXWQWWBUKTSZ-UHFFFAOYSA-N 0 0 264.781 3.918 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000123342152 525409482 /nfs/dbraw/zinc/40/94/82/525409482.db2.gz BVQYWJRDCKXGCC-LBPRGKRZSA-N 0 0 281.346 3.998 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125024478 525455067 /nfs/dbraw/zinc/45/50/67/525455067.db2.gz HAXNGCOEIJTSOC-BDJLRTHQSA-N 0 0 268.360 3.692 10 0 CHAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cccc(CO)c1 ZINC000037048515 525520247 /nfs/dbraw/zinc/52/02/47/525520247.db2.gz VVIUZAXKNPIEKD-SFHVURJKSA-N 0 0 283.371 3.677 10 0 CHAERN C[C@@H](NCc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000054788753 525546439 /nfs/dbraw/zinc/54/64/39/525546439.db2.gz YNQBULUWUKJZHW-SECBINFHSA-N 0 0 282.174 3.634 10 0 CHAERN Cc1c(C(=O)N2CCCC2(C)C)cnn1-c1ccccc1C ZINC000102918680 525569863 /nfs/dbraw/zinc/56/98/63/525569863.db2.gz STGFXKUWHKUFQX-UHFFFAOYSA-N 0 0 297.402 3.504 10 0 CHAERN CSC[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127387044 525606151 /nfs/dbraw/zinc/60/61/51/525606151.db2.gz QVGHEUWBVKKLHD-YPMHNXCESA-N 0 0 281.421 3.641 10 0 CHAERN C[C@@H](N[C@@H](C)c1ncc[nH]1)c1ccc(F)c(Cl)c1 ZINC000138912345 525621265 /nfs/dbraw/zinc/62/12/65/525621265.db2.gz ZKCUXHVSWCTGET-BDAKNGLRSA-N 0 0 267.735 3.614 10 0 CHAERN C[C@H](Nc1ccnc(C(N)=S)c1)c1ccc(Cl)cc1 ZINC000061812954 525673333 /nfs/dbraw/zinc/67/33/33/525673333.db2.gz XNNDTLCRQKGQPB-VIFPVBQESA-N 0 0 291.807 3.542 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)o1 ZINC000123307776 525711423 /nfs/dbraw/zinc/71/14/23/525711423.db2.gz WOSIXHQARJCGPA-DYVFJYSZSA-N 0 0 283.371 3.959 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)C2CC=CC2)o1 ZINC000127831267 525796395 /nfs/dbraw/zinc/79/63/95/525796395.db2.gz JEPNECBPBDAABR-AWEZNQCLSA-N 0 0 259.349 3.608 10 0 CHAERN C[C@H](O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000062771175 525829474 /nfs/dbraw/zinc/82/94/74/525829474.db2.gz FYMBEAZLMMUWBC-VIFPVBQESA-N 0 0 270.250 3.889 10 0 CHAERN C[C@H](O)c1c(F)cccc1N1CCC(C)(C)CC1 ZINC000061820629 525852783 /nfs/dbraw/zinc/85/27/83/525852783.db2.gz KWEXJHOIMXEHPH-NSHDSACASA-N 0 0 251.345 3.505 10 0 CHAERN C[C@H](O)c1ccccc1NCc1ccc(Cl)o1 ZINC000049542793 525862677 /nfs/dbraw/zinc/86/26/77/525862677.db2.gz IQPKVXZXRDGNGL-VIFPVBQESA-N 0 0 251.713 3.598 10 0 CHAERN C[C@@H](O)c1ccc(N2CCCC2(C)C)c(Br)c1 ZINC000063067649 525868301 /nfs/dbraw/zinc/86/83/01/525868301.db2.gz COSMMQROPKWCJY-SNVBAGLBSA-N 0 0 298.224 3.881 10 0 CHAERN C[C@@H](O)c1ccc(F)cc1OCCc1ccccc1 ZINC000062749389 525868356 /nfs/dbraw/zinc/86/83/56/525868356.db2.gz PZRWGYQGMDRYFE-GFCCVEGCSA-N 0 0 260.308 3.501 10 0 CHAERN COc1cccc(CC(=O)c2ccc(F)cc2C)c1 ZINC000055199836 525877287 /nfs/dbraw/zinc/87/72/87/525877287.db2.gz AMEBTBVZKXVZLJ-UHFFFAOYSA-N 0 0 258.292 3.568 10 0 CHAERN Cc1ccc([C@H](C)Nc2cc(Cl)nc(C)n2)o1 ZINC000052836733 525948448 /nfs/dbraw/zinc/94/84/48/525948448.db2.gz BYGLUWNDCCYJLW-QMMMGPOBSA-N 0 0 251.717 3.513 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccncc2)o1 ZINC000129183362 525991130 /nfs/dbraw/zinc/99/11/30/525991130.db2.gz CAWRNSYJRFVUSJ-MRXNPFEDSA-N 0 0 298.386 3.669 10 0 CHAERN C[C@@H](c1cccc(Br)c1)n1cccc1 ZINC000049570114 526065114 /nfs/dbraw/zinc/06/51/14/526065114.db2.gz ISWRIGDCRVGUAG-JTQLQIEISA-N 0 0 250.139 3.860 10 0 CHAERN Cc1ccc2[nH]c(Sc3cc(N)ccc3C)nc2c1 ZINC000061439814 526100953 /nfs/dbraw/zinc/10/09/53/526100953.db2.gz FAPUSRRVSYRUTE-UHFFFAOYSA-N 0 0 269.373 3.913 10 0 CHAERN C[C@@H](c1ccccc1Cl)N(C)c1ccnc(Cl)n1 ZINC000062011217 526103097 /nfs/dbraw/zinc/10/30/97/526103097.db2.gz HRJBOAKSGZWWTM-VIFPVBQESA-N 0 0 282.174 3.981 10 0 CHAERN C[C@@H](c1ccccc1F)n1c(C2CC2)n[nH]c1=S ZINC000049531413 526107893 /nfs/dbraw/zinc/10/78/93/526107893.db2.gz MLRQSRCYMZATMT-QMMMGPOBSA-N 0 0 263.341 3.566 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1ncc([C@H](C)O)s1 ZINC000054910644 526148292 /nfs/dbraw/zinc/14/82/92/526148292.db2.gz ZIFJYSYIFIYBSA-NSHDSACASA-N 0 0 274.389 3.589 10 0 CHAERN FC(F)n1ccnc1CN[C@H]1CCCc2sccc21 ZINC000061362479 526271434 /nfs/dbraw/zinc/27/14/34/526271434.db2.gz SYMSBFCRSJNEAO-JTQLQIEISA-N 0 0 283.347 3.507 10 0 CHAERN Cc1nn(Cc2ccc(Br)cc2F)c(C)c1C ZINC000049600704 526287905 /nfs/dbraw/zinc/28/79/05/526287905.db2.gz BUIHTWBSCSURJL-UHFFFAOYSA-N 0 0 297.171 3.758 10 0 CHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCCCCC1 ZINC000109079665 526510472 /nfs/dbraw/zinc/51/04/72/526510472.db2.gz QVVNHTDCHHZJPR-UONOGXRCSA-N 0 0 293.357 3.861 10 0 CHAERN Cc1nc(-c2cc3ccccc3o2)sc1[C@H](C)O ZINC000062798042 526563212 /nfs/dbraw/zinc/56/32/12/526563212.db2.gz ZCLVYHXOKAGBLO-VIFPVBQESA-N 0 0 259.330 3.918 10 0 CHAERN Cc1nc(-c2ccc(Cl)cc2Cl)nc(N)c1C ZINC000050867410 526573190 /nfs/dbraw/zinc/57/31/90/526573190.db2.gz SWUCDNIQOATQRP-UHFFFAOYSA-N 0 0 268.147 3.649 10 0 CHAERN c1csc(CN2CCCC[C@H]2c2nccs2)c1 ZINC000127730962 526581201 /nfs/dbraw/zinc/58/12/01/526581201.db2.gz ACILPCOLPTXHDB-LBPRGKRZSA-N 0 0 264.419 3.932 10 0 CHAERN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCc2ccccc21 ZINC000155037031 526581425 /nfs/dbraw/zinc/58/14/25/526581425.db2.gz CAFKJHSFOZRBPM-AWEZNQCLSA-N 0 0 297.358 3.669 10 0 CHAERN c1csc([C@@H](Nc2noc(-c3ccccc3)n2)C2CC2)n1 ZINC000157723201 526585692 /nfs/dbraw/zinc/58/56/92/526585692.db2.gz VIHSXRKJWLGJFF-LBPRGKRZSA-N 0 0 298.371 3.756 10 0 CHAERN Cc1nsc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000083648168 526715774 /nfs/dbraw/zinc/71/57/74/526715774.db2.gz KJODYHVFQWHGSW-ZETCQYMHSA-N 0 0 253.758 3.673 10 0 CHAERN O=C(c1ccccc1F)N1CCCC[C@@H]1c1nccs1 ZINC000264129780 526805163 /nfs/dbraw/zinc/80/51/63/526805163.db2.gz INQXGMVQGCKUAH-CYBMUJFWSA-N 0 0 290.363 3.650 10 0 CHAERN O=C(c1cccnc1)C1(c2ccccc2)CCCC1 ZINC000062782528 526817332 /nfs/dbraw/zinc/81/73/32/526817332.db2.gz NFUHGPFMHGPUQS-UHFFFAOYSA-N 0 0 251.329 3.776 10 0 CHAERN CC(C)(C)c1nsc(N2CC[C@@H]3CCCC[C@H]32)n1 ZINC000302542581 526906716 /nfs/dbraw/zinc/90/67/16/526906716.db2.gz TWTMWZOBMUBRMP-WDEREUQCSA-N 0 0 265.426 3.605 10 0 CHAERN Clc1cc(N2CC[C@@H]3CCCC[C@H]32)nc(C2CC2)n1 ZINC000228005595 526929863 /nfs/dbraw/zinc/92/98/63/526929863.db2.gz QBNZAUZHRFGDJP-CMPLNLGQSA-N 0 0 277.799 3.776 10 0 CHAERN Cc1nc(Cl)cc(N2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000227072328 526932896 /nfs/dbraw/zinc/93/28/96/526932896.db2.gz ROAJLBNFFXGLPT-NWDGAFQWSA-N 0 0 265.788 3.597 10 0 CHAERN Cc1nc2cc(N3CCC[C@H](C)[C@@H]3C)c(N)cc2s1 ZINC000050564106 527123916 /nfs/dbraw/zinc/12/39/16/527123916.db2.gz YAAUHKQDNXSCTC-UWVGGRQHSA-N 0 0 275.421 3.812 10 0 CHAERN Cc1nc2ccc(NC(=O)C[C@@H](C)C(C)C)cc2o1 ZINC000067798694 527142047 /nfs/dbraw/zinc/14/20/47/527142047.db2.gz ZFKNFIPWSUNJFV-SNVBAGLBSA-N 0 0 260.337 3.757 10 0 CHAERN Cc1nc[nH]c1CNc1ccc(Cl)c2ncccc12 ZINC000054795868 527215800 /nfs/dbraw/zinc/21/58/00/527215800.db2.gz JOSVHPCWMUANKT-UHFFFAOYSA-N 0 0 272.739 3.532 10 0 CHAERN O=C(Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000049346633 527274873 /nfs/dbraw/zinc/27/48/73/527274873.db2.gz UQAYCYNYTQZJEZ-UHFFFAOYSA-N 0 0 262.711 3.833 10 0 CHAERN Nc1cc(Br)cc2nc(C3CCCC3)oc21 ZINC000062557581 527441155 /nfs/dbraw/zinc/44/11/55/527441155.db2.gz PYOPULHSSYTPSV-UHFFFAOYSA-N 0 0 281.153 3.830 10 0 CHAERN Nc1cc(F)ccc1OCc1cccc(Br)c1 ZINC000052064713 527456541 /nfs/dbraw/zinc/45/65/41/527456541.db2.gz WZSGXTIMXHZTCR-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2Cc1ccc(F)cc1 ZINC000052842177 527508299 /nfs/dbraw/zinc/50/82/99/527508299.db2.gz BYRDMZZOHBYAFN-UHFFFAOYSA-N 0 0 281.334 3.683 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2-c1ccccc1F ZINC000052842309 527508461 /nfs/dbraw/zinc/50/84/61/527508461.db2.gz XHCWHWKLUHYJPM-UHFFFAOYSA-N 0 0 267.307 3.624 10 0 CHAERN Nc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1 ZINC000052852411 527509202 /nfs/dbraw/zinc/50/92/02/527509202.db2.gz INODEJDHHYWVOB-UHFFFAOYSA-N 0 0 263.344 3.544 10 0 CHAERN Nc1ccc2c(c1)ncn2Cc1ccccc1C(F)(F)F ZINC000061627533 527509946 /nfs/dbraw/zinc/50/99/46/527509946.db2.gz YQZLAWQQHIUHEH-UHFFFAOYSA-N 0 0 291.276 3.686 10 0 CHAERN O=C([O-])CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000062708095 527570376 /nfs/dbraw/zinc/57/03/76/527570376.db2.gz QZLSOBMHEQPOJU-QXMXGUDHSA-N 0 0 293.794 3.558 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000050885752 527663891 /nfs/dbraw/zinc/66/38/91/527663891.db2.gz CXCMENDSIPCGHX-AWEZNQCLSA-N 0 0 270.225 3.519 10 0 CHAERN O[C@@H](Cc1cccs1)c1ccccc1OC(F)(F)F ZINC000055204203 527665219 /nfs/dbraw/zinc/66/52/19/527665219.db2.gz SSOIFQFUKVKHHE-NSHDSACASA-N 0 0 288.290 3.923 10 0 CHAERN Cc1nn(C)c(Cl)c1CN[C@@H](C)c1cccc(Cl)c1 ZINC000163818711 527666903 /nfs/dbraw/zinc/66/69/03/527666903.db2.gz SNWGQEVFZXLIAQ-VIFPVBQESA-N 0 0 298.217 3.886 10 0 CHAERN CC(C)c1cc(-c2nc(C(C)(C)C3CCC3)no2)nn1C ZINC000333239762 528006699 /nfs/dbraw/zinc/00/66/99/528006699.db2.gz PVTFEHUSMWLAOB-UHFFFAOYSA-N 0 0 288.395 3.671 10 0 CHAERN CCCCC[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1 ZINC000096508044 528253047 /nfs/dbraw/zinc/25/30/47/528253047.db2.gz BZLDZXXRIGMWTB-KIWPFMIBSA-N 0 0 263.356 3.924 10 0 CHAERN CCC(CC)[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000302394471 528866745 /nfs/dbraw/zinc/86/67/45/528866745.db2.gz DWTSPAQNLUXJPA-OAHLLOKOSA-N 0 0 294.345 3.722 10 0 CHAERN COc1cccc(/C=C/C(=O)N2CCCc3ccccc32)c1 ZINC000016023056 537074589 /nfs/dbraw/zinc/07/45/89/537074589.db2.gz GCMNGYHLMNJLJF-VAWYXSNFSA-N 0 0 293.366 3.688 10 0 CHAERN C[Si](C)(C)CCSCc1noc(C(F)(F)F)n1 ZINC000725245867 567908254 /nfs/dbraw/zinc/90/82/54/567908254.db2.gz NIBVSUHXMZWKOR-UHFFFAOYSA-N 0 0 284.379 3.660 10 0 CHAERN CCc1c(C)cc2nc(CC(C)(C)C)nn2c1Cl ZINC000725243275 570255253 /nfs/dbraw/zinc/25/52/53/570255253.db2.gz UKCQIGLLHNPEDG-UHFFFAOYSA-N 0 0 265.788 3.842 10 0 CHAERN Clc1cc([C@@H]2NCCc3ccoc32)c(Cl)s1 ZINC000701290280 570276918 /nfs/dbraw/zinc/27/69/18/570276918.db2.gz MPBMDAXBJVDNRR-VIFPVBQESA-N 0 0 274.172 3.883 10 0 CHAERN CCCC(=O)CNC(=O)Oc1cc(C)cc(C(C)C)c1 ZINC000002009778 560185555 /nfs/dbraw/zinc/18/55/55/560185555.db2.gz GGRLUNQHANDPSC-UHFFFAOYSA-N 0 0 277.364 3.576 10 0 in-vitro CHAERN O=Cc1c(Br)cc(F)c2ccccc12 ZINC000148794748 566972556 /nfs/dbraw/zinc/97/25/56/566972556.db2.gz RMBKUEIUVUVJNB-UHFFFAOYSA-N 0 0 253.070 3.554 10 0 CHAERN O=C1C[C@@H](C(F)(F)F)Sc2cc(Cl)ccc21 ZINC000675060033 567022972 /nfs/dbraw/zinc/02/29/72/567022972.db2.gz QOTXKVSVYRXCRA-VIFPVBQESA-N 0 0 266.671 3.949 10 0 CHAERN Cc1cc(-c2cc(C(F)(F)F)[nH]n2)c(C)cc1C=O ZINC000675072268 567023734 /nfs/dbraw/zinc/02/37/34/567023734.db2.gz BQSLOWQWUFNUQE-UHFFFAOYSA-N 0 0 268.238 3.525 10 0 CHAERN O=Cc1csc(-c2ccc(Br)cc2)c1 ZINC000675082558 567028490 /nfs/dbraw/zinc/02/84/90/567028490.db2.gz LJMHVOIUPLVAMK-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN CC(C)(C)c1ccc(O)c(-c2cccc3n[nH]nc32)c1 ZINC000032106863 567087330 /nfs/dbraw/zinc/08/73/30/567087330.db2.gz ZQQHQCZUIMXHDW-UHFFFAOYSA-N 0 0 267.332 3.628 10 0 CHAERN CC(=O)O[C@@H]1CCCCCCCCCC[C@H]1C1OCCO1 ZINC000048523830 567090859 /nfs/dbraw/zinc/09/08/59/567090859.db2.gz YSEIGAWXYFYXOY-HZPDHXFCSA-N 0 0 298.423 3.822 10 0 CHAERN COC(=O)c1coc2c1cc(Cl)cc2Br ZINC000685952151 567209840 /nfs/dbraw/zinc/20/98/40/567209840.db2.gz XQCMNPCTIRCIGF-UHFFFAOYSA-N 0 0 289.512 3.635 10 0 CHAERN CC(C)=CCCC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000685962052 567210553 /nfs/dbraw/zinc/21/05/53/567210553.db2.gz SKUCDRFSDSBFHM-AWEZNQCLSA-N 0 0 289.375 3.617 10 0 CHAERN Cc1ccc2c(c1)C(=O)N(c1c(C)cccc1Cl)C2=O ZINC000000053557 567817245 /nfs/dbraw/zinc/81/72/45/567817245.db2.gz OVDCTQJDAISXSC-UHFFFAOYSA-N 0 0 285.730 3.757 10 0 CHAERN COc1ccc([C@@H]2C[C@@H]3C[C@@H](c4ccccc4)N2O3)cc1 ZINC000013371155 567865886 /nfs/dbraw/zinc/86/58/86/567865886.db2.gz HMVKUDOMJCCSHK-BZSNNMDCSA-N 0 0 281.355 3.887 10 0 CHAERN O=C(CC1CCCC1)NCc1cccnc1-c1ccccc1 ZINC000065171380 567869046 /nfs/dbraw/zinc/86/90/46/567869046.db2.gz GMGKJEWGURWCPS-UHFFFAOYSA-N 0 0 294.398 3.945 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000405972231 567892815 /nfs/dbraw/zinc/89/28/15/567892815.db2.gz JDHPXRXOEMAAFP-RMKNXTFCSA-N 0 0 288.265 3.940 10 0 CHAERN Fc1ccc(-c2cn3cccc(Br)c3n2)cc1 ZINC000039325755 567899285 /nfs/dbraw/zinc/89/92/85/567899285.db2.gz NJJRLRFJFNYNHT-UHFFFAOYSA-N 0 0 291.123 3.903 10 0 CHAERN CC[C@H](c1ccccc1)c1cc(Br)ncn1 ZINC000409429202 567899724 /nfs/dbraw/zinc/89/97/24/567899724.db2.gz IRZZIKSDUXSJHI-LLVKDONJSA-N 0 0 277.165 3.781 10 0 CHAERN Cc1c(Br)c(C(F)(F)F)nn1CC(C)C ZINC000409442916 567899807 /nfs/dbraw/zinc/89/98/07/567899807.db2.gz DDHNXSJMJITVRR-UHFFFAOYSA-N 0 0 285.107 3.629 10 0 CHAERN CC(C)(C)OC(=O)N[C@H]1CCNc2cc(Cl)ccc21 ZINC000068575606 567900870 /nfs/dbraw/zinc/90/08/70/567900870.db2.gz JDVYZDULNLHBBY-NSHDSACASA-N 0 0 282.771 3.721 10 0 CHAERN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc2N1 ZINC000071790898 567902044 /nfs/dbraw/zinc/90/20/44/567902044.db2.gz CSTZHQCHFWHXFV-ZDUSSCGKSA-N 0 0 276.380 3.878 10 0 CHAERN Nc1cccc(C(=O)c2c[nH]c3ccc(Cl)cc23)c1 ZINC000079885349 567906204 /nfs/dbraw/zinc/90/62/04/567906204.db2.gz ZTDFUGJBRTVIHN-UHFFFAOYSA-N 0 0 270.719 3.635 10 0 CHAERN Cc1cc2nc(C(F)(F)F)nn2c(Cl)c1C(C)C ZINC000725246489 567908453 /nfs/dbraw/zinc/90/84/53/567908453.db2.gz NOWCCUBXWKVDGJ-UHFFFAOYSA-N 0 0 277.677 3.833 10 0 CHAERN CCCCn1cnc2cccc(Br)c21 ZINC000725253292 567910499 /nfs/dbraw/zinc/91/04/99/567910499.db2.gz ANQKKKJRKXVCTR-UHFFFAOYSA-N 0 0 253.143 3.599 10 0 CHAERN Brc1ccc2c(c1)ncn2C1CCC1 ZINC000725253334 567910926 /nfs/dbraw/zinc/91/09/26/567910926.db2.gz GERNMXFVMFIXSQ-UHFFFAOYSA-N 0 0 251.127 3.524 10 0 CHAERN C[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)c2ccccc2N1 ZINC000725253877 567911573 /nfs/dbraw/zinc/91/15/73/567911573.db2.gz OLIPXRLHQPMRSF-NEPJUHHUSA-N 0 0 261.365 3.706 10 0 CHAERN CC(C)(C)OC(=O)N1CC(C)(C)C(=O)c2ccccc21 ZINC000098181469 567911704 /nfs/dbraw/zinc/91/17/04/567911704.db2.gz UVIMEGQRBNTSHQ-UHFFFAOYSA-N 0 0 275.348 3.651 10 0 CHAERN C[C@]12C[C@@H](c3ccccc3)[C@H]1C(=O)N(Cc1ccccc1)C2 ZINC000725262641 567923100 /nfs/dbraw/zinc/92/31/00/567923100.db2.gz NEFGMXAGRPULNG-CMKODMSKSA-N 0 0 291.394 3.839 10 0 CHAERN Brc1ccc(-c2ccc([C@@H]3CCO3)cc2)cn1 ZINC000725265153 567923184 /nfs/dbraw/zinc/92/31/84/567923184.db2.gz KGUIOZSMFQBTKH-ZDUSSCGKSA-N 0 0 290.160 3.973 10 0 CHAERN Brc1ccc(-c2ccc([C@@H]3CCO3)cc2)nc1 ZINC000725265177 567923285 /nfs/dbraw/zinc/92/32/85/567923285.db2.gz LZQBIDQUUFVGNK-AWEZNQCLSA-N 0 0 290.160 3.973 10 0 CHAERN C[C@H](C1CC1)C1N=NC(=S)N1C1CCCCC1 ZINC000725265536 567923555 /nfs/dbraw/zinc/92/35/55/567923555.db2.gz NXYBMOYGJCVQBJ-SECBINFHSA-N 0 0 251.399 3.586 10 0 CHAERN CC[C@@H](C)c1nc2cccc(Br)c2cc1NN ZINC000725268057 567924212 /nfs/dbraw/zinc/92/42/12/567924212.db2.gz HOSQCPQBFGWULI-MRVPVSSYSA-N 0 0 294.196 3.796 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2ccc(C=O)cc2)n1 ZINC000725269645 567924462 /nfs/dbraw/zinc/92/44/62/567924462.db2.gz BRVAMUKUOKLCRQ-UHFFFAOYSA-N 0 0 264.275 3.881 10 0 CHAERN C[C@H]1CCn2cc(-c3ccc(Cl)s3)nc2C1 ZINC000258531820 567931139 /nfs/dbraw/zinc/93/11/39/567931139.db2.gz SGTIETZPQHVQLO-QMMMGPOBSA-N 0 0 252.770 3.847 10 0 CHAERN O=c1[nH]c(-c2ccc3ccccc3n2)nc2ccccc21 ZINC000038352187 567944332 /nfs/dbraw/zinc/94/43/32/567944332.db2.gz AAFRTZILNKZOTM-UHFFFAOYSA-N 0 0 273.295 3.551 10 0 CHAERN CNc1ncc(-c2cccc(OC)c2)cc1C(F)(F)F ZINC000584880822 570228614 /nfs/dbraw/zinc/22/86/14/570228614.db2.gz JANZDTKCCLALOU-UHFFFAOYSA-N 0 0 282.265 3.818 10 0 CHAERN Cc1cc(Br)cc(C)c1NCC(F)F ZINC000037755828 570234587 /nfs/dbraw/zinc/23/45/87/570234587.db2.gz CTQGARNFPUPOFX-UHFFFAOYSA-N 0 0 264.113 3.743 10 0 CHAERN CCCCc1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243039 570255217 /nfs/dbraw/zinc/25/52/17/570255217.db2.gz GZBCBWNYYXCHJK-UHFFFAOYSA-N 0 0 277.677 3.744 10 0 CHAERN Cc1c(Br)cccc1-c1cncc(C=O)c1 ZINC000675057797 570364987 /nfs/dbraw/zinc/36/49/87/570364987.db2.gz JTWLJGDXAVQTIU-UHFFFAOYSA-N 0 0 276.133 3.632 10 0 CHAERN CCC[C@]1(C)C(=O)[C@H]2CCCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384199 570352794 /nfs/dbraw/zinc/35/27/94/570352794.db2.gz QDDUWRUCAKPVDV-AHIWAGSCSA-N 0 0 295.423 3.781 10 0 CHAERN CC(C)(C)NC(=O)[C@@H]1c2ccccc2N[C@H]2CCCC[C@H]21 ZINC000225458480 570394205 /nfs/dbraw/zinc/39/42/05/570394205.db2.gz VYMJEYTYHHZTTH-VNQPRFMTSA-N 0 0 286.419 3.669 10 0 CHAERN Cc1ccccc1CO[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000036314884 570405205 /nfs/dbraw/zinc/40/52/05/570405205.db2.gz IWQSLWNMZGJUPQ-QGZVFWFLSA-N 0 0 289.419 3.549 10 0 CHAERN Clc1ccc(Sc2ccc(Cl)nn2)cc1 ZINC000037022334 570411380 /nfs/dbraw/zinc/41/13/80/570411380.db2.gz KLIPOZQQCNPFAJ-UHFFFAOYSA-N 0 0 257.145 3.935 10 0 CHAERN CC(C)C[C@H](C)CC(=O)CNC(=O)OCc1ccccc1 ZINC000405873537 570411400 /nfs/dbraw/zinc/41/14/00/570411400.db2.gz CZCUGMUEPNWBEG-AWEZNQCLSA-N 0 0 291.391 3.554 10 0 CHAERN Cc1ccc([C@@H](C)[NH2+]Cc2csc(C(=O)[O-])c2)cc1F ZINC000689111784 976225580 /nfs/dbraw/zinc/22/55/80/976225580.db2.gz VYNYGCGWKOCAAK-SNVBAGLBSA-N 0 0 293.363 3.745 10 0 CHAERN Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1C(=O)[O-] ZINC000701836043 977048438 /nfs/dbraw/zinc/04/84/38/977048438.db2.gz ZIYSCKXLNLJXDH-AWEZNQCLSA-N 0 0 275.392 3.561 10 0 CHAERN CC(C)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000703646353 977174305 /nfs/dbraw/zinc/17/43/05/977174305.db2.gz KEKQNLJUIGLWFJ-GFCCVEGCSA-N 0 0 295.810 3.906 10 0 CHAERN CC(C)(C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000708555630 977435729 /nfs/dbraw/zinc/43/57/29/977435729.db2.gz NDJMIYLMIOOKSE-CABCVRRESA-N 0 0 275.392 3.570 10 0 CHAERN CC1(C)CCC(C[N@@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC000711652844 977562541 /nfs/dbraw/zinc/56/25/41/977562541.db2.gz XOGXASMFLATBLA-PBHICJAKSA-N 0 0 279.424 3.532 10 0 CHAERN Cc1ocnc1C(=O)Oc1cc(C)ccc1C(C)C ZINC000105754997 1123066321 /nfs/dbraw/zinc/06/63/21/1123066321.db2.gz UUQIWIXZXFPZTE-UHFFFAOYSA-N 0 0 259.305 3.634 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)CC(C)(C)C)cs1 ZINC000187113495 1126908265 /nfs/dbraw/zinc/90/82/65/1126908265.db2.gz VMULQNKRMYDVMM-LBPRGKRZSA-N 0 0 266.410 3.551 10 0 CHAERN COc1cccc(CN2CCC[C@H]2c2csc(C)n2)c1 ZINC000189761279 1126935234 /nfs/dbraw/zinc/93/52/34/1126935234.db2.gz XTJJVADGNFISJG-INIZCTEOSA-N 0 0 288.416 3.797 10 0 CHAERN Cc1csc(CN2CCC[C@H]2c2csc(C)n2)n1 ZINC000189849067 1126936172 /nfs/dbraw/zinc/93/61/72/1126936172.db2.gz MTFGVJJYTBAURV-LBPRGKRZSA-N 0 0 279.434 3.554 10 0 CHAERN C/C(=C/C(=O)OCCC[C@H]1CCCO1)c1cccc(F)c1 ZINC000588449112 1118789176 /nfs/dbraw/zinc/78/91/76/1118789176.db2.gz ZAZXFWHBXPCDLH-DVFVSVACSA-N 0 0 292.350 3.731 10 0 CHAERN Cc1cccnc1/C=C\C(=O)Oc1ccc(Cl)cc1F ZINC000588451519 1118797059 /nfs/dbraw/zinc/79/70/59/1118797059.db2.gz DJIPIURCRLHPKG-ALCCZGGFSA-N 0 0 291.709 3.801 10 0 CHAERN CC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ncccc1C ZINC000588452675 1118798582 /nfs/dbraw/zinc/79/85/82/1118798582.db2.gz NYNPZPWLJPBBDG-WFTPILKQSA-N 0 0 294.398 3.541 10 0 CHAERN Cc1cccnc1/C=C\C(=O)N[C@H](C)CCc1ccccc1 ZINC000588452309 1118798832 /nfs/dbraw/zinc/79/88/32/1118798832.db2.gz FRCCUZJWBWNRKL-BFFYNSAMSA-N 0 0 294.398 3.541 10 0 CHAERN O=C(/C=C\c1ccco1)OC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000588485455 1118920052 /nfs/dbraw/zinc/92/00/52/1118920052.db2.gz BUJBLKWEBCLUOV-VFGATPKVSA-N 0 0 298.338 3.614 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000588496089 1118992445 /nfs/dbraw/zinc/99/24/45/1118992445.db2.gz XSNCXJCVVUXXDR-MMRAYRKESA-N 0 0 289.375 3.585 10 0 CHAERN C[C@H]1CCCCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000588506843 1119019231 /nfs/dbraw/zinc/01/92/31/1119019231.db2.gz KGABKTJWVBHCHU-KVPUOBJLSA-N 0 0 294.398 3.897 10 0 CHAERN C/C=C(\CC)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000588567758 1119313219 /nfs/dbraw/zinc/31/32/19/1119313219.db2.gz SJESMFHIIOEQAW-KRPLZJQNSA-N 0 0 267.319 3.541 10 0 CHAERN C/C=C(/CC)C(=O)OC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000588570235 1119321642 /nfs/dbraw/zinc/32/16/42/1119321642.db2.gz GYWTZXHPVURTOD-TYHMOTNESA-N 0 0 274.360 3.664 10 0 CHAERN C[C@@H]1CCCC[C@H]1c1noc([C@H]2CCC(=O)c3cccn32)n1 ZINC000329571269 1119437927 /nfs/dbraw/zinc/43/79/27/1119437927.db2.gz IWYRPRKXMPUNJD-YRGRVCCFSA-N 0 0 299.374 3.731 10 0 CHAERN C[C@@H]1CCC[C@@H](c2noc([C@@H]3CCCC(=O)N3)n2)C1 ZINC000329597848 1119445287 /nfs/dbraw/zinc/44/52/87/1119445287.db2.gz PNSZFPXFFRFARK-MXWKQRLJSA-N 0 0 263.341 3.545 10 0 CHAERN O=C1CCC[C@@H](c2nc(C(C3CCC3)C3CCC3)no2)N1 ZINC000329609680 1119450729 /nfs/dbraw/zinc/45/07/29/1119450729.db2.gz RAFCXGSKZVABKO-LBPRGKRZSA-N 0 0 289.379 3.935 10 0 CHAERN Cc1cc(COC(=O)C/C=C\c2cccc(F)c2)ns1 ZINC000588602290 1119536841 /nfs/dbraw/zinc/53/68/41/1119536841.db2.gz XFTVDOMPLABUEZ-HYXAFXHYSA-N 0 0 291.347 3.737 10 0 CHAERN O=C(C/C=C\c1cccc(F)c1)Nc1ccc(F)nc1F ZINC000588612258 1119584851 /nfs/dbraw/zinc/58/48/51/1119584851.db2.gz XSWVRCIILFRBPL-RQOWECAXSA-N 0 0 292.260 3.541 10 0 CHAERN Cc1sc2nc(C)nc(N3CCC[C@H](C)C3)c2c1C ZINC000000753797 1119661146 /nfs/dbraw/zinc/66/11/46/1119661146.db2.gz SNMJOJWKSVTMDB-VIFPVBQESA-N 0 0 275.421 3.853 10 0 CHAERN Cc1cc(C)cc(OC(=O)COc2ccc(C)c(C)c2)c1 ZINC000003154581 1119662636 /nfs/dbraw/zinc/66/26/36/1119662636.db2.gz ICVXBUAQKBFOHL-UHFFFAOYSA-N 0 0 284.355 3.905 10 0 CHAERN CC[C@@H](SCC(=O)NC(C)(C)C)c1ccccc1 ZINC000105636047 1120083828 /nfs/dbraw/zinc/08/38/28/1120083828.db2.gz KIZVEVFOXLUEQK-CYBMUJFWSA-N 0 0 265.422 3.786 10 0 CHAERN C[C@H]1C[C@H](c2noc(-c3cccnc3)n2)C[C@@H](C)C1 ZINC000408225191 1120949367 /nfs/dbraw/zinc/94/93/67/1120949367.db2.gz IXRBFOFHXVSHGA-PJXYFTJBSA-N 0 0 257.337 3.671 10 0 CHAERN CO[C@H]1CCC[C@H](OC(=O)c2ccc(Cl)cc2F)C1 ZINC000102706355 1122939124 /nfs/dbraw/zinc/93/91/24/1122939124.db2.gz HVBAVXLEKGCBOA-QWRGUYRKSA-N 0 0 286.730 3.594 10 0 CHAERN O=C(CCc1ccncc1)Oc1cc(Cl)ccc1Cl ZINC000104216184 1122981043 /nfs/dbraw/zinc/98/10/43/1122981043.db2.gz OPODBFWWQQQHHW-UHFFFAOYSA-N 0 0 296.153 3.927 10 0 CHAERN Cc1ocnc1C(=O)O[C@H](CCc1ccccc1)C(C)C ZINC000105770404 1123070286 /nfs/dbraw/zinc/07/02/86/1123070286.db2.gz XAIPLMLVNPDVDE-OAHLLOKOSA-N 0 0 287.359 3.797 10 0 CHAERN Cc1cnc(-c2noc([C@@H]3CCC[C@H]4CCCC[C@@H]43)n2)nc1 ZINC000329633485 1123635208 /nfs/dbraw/zinc/63/52/08/1123635208.db2.gz XEYXKYDWQLLKAZ-HZSPNIEDSA-N 0 0 298.390 3.909 10 0 CHAERN C[C@H]1CCC[C@H]1c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000329719919 1123648510 /nfs/dbraw/zinc/64/85/10/1123648510.db2.gz MPJCPZKLTURXHX-GXTWGEPZSA-N 0 0 298.390 3.635 10 0 CHAERN c1csc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)c1 ZINC000301873959 1123939999 /nfs/dbraw/zinc/93/99/99/1123939999.db2.gz JRLRSZXKDBTYOA-UHFFFAOYSA-N 0 0 298.415 3.705 10 0 CHAERN c1cc(COc2ccc(-c3ccccc3)cc2)on1 ZINC000003457087 1123954789 /nfs/dbraw/zinc/95/47/89/1123954789.db2.gz BNACJKIZEOQMEO-UHFFFAOYSA-N 0 0 251.285 3.921 10 0 CHAERN Cc1nc([C@H]2CCCCCN2C(=O)C[C@H](C)C(C)C)no1 ZINC000364096959 1125264045 /nfs/dbraw/zinc/26/40/45/1125264045.db2.gz DNAFPNWHSOEHLS-GXTWGEPZSA-N 0 0 293.411 3.504 10 0 CHAERN CC(C)OCCSCc1cccc2cccnc21 ZINC000105638660 1125437938 /nfs/dbraw/zinc/43/79/38/1125437938.db2.gz FMBFOWLFJZUJFE-UHFFFAOYSA-N 0 0 261.390 3.893 10 0 CHAERN CC(C)c1ncc(Br)cc1OC1CC1 ZINC000095720343 185018868 /nfs/dbraw/zinc/01/88/68/185018868.db2.gz OCIAPGIBAUEDSQ-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)c1ccc(OC2CC2)c(Br)n1 ZINC000095721570 185019839 /nfs/dbraw/zinc/01/98/39/185019839.db2.gz NEZWYELJHFRXCX-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1nc(Br)ccc1OC1CC1 ZINC000095725216 185021137 /nfs/dbraw/zinc/02/11/37/185021137.db2.gz FUDRQRMKCUAUHR-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CSc1cccc(Br)c1OC1CC1 ZINC000095733154 185022938 /nfs/dbraw/zinc/02/29/38/185022938.db2.gz JDFQMEWVFGJMRO-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN CCc1nc(Cl)cc(NCc2ccc(C)cc2)n1 ZINC000082509542 178076151 /nfs/dbraw/zinc/07/61/51/178076151.db2.gz VAEMELJYUDJJNB-UHFFFAOYSA-N 0 0 261.756 3.613 10 0 CHAERN CC(C)(C)OC(=O)N1Cc2cccc(C(F)(F)F)c2C1 ZINC000095775536 185028041 /nfs/dbraw/zinc/02/80/41/185028041.db2.gz HHSHNLVPPMIABQ-UHFFFAOYSA-N 0 0 287.281 3.956 10 0 CHAERN FC(F)(F)Oc1cccc2nccc(Br)c21 ZINC000095830427 185028821 /nfs/dbraw/zinc/02/88/21/185028821.db2.gz PKURERVFIPFDDA-UHFFFAOYSA-N 0 0 292.054 3.896 10 0 CHAERN CCOC(=O)c1cc(C)cc(Cl)c1Br ZINC000095829728 185028896 /nfs/dbraw/zinc/02/88/96/185028896.db2.gz AHLDEJCTKZLEQQ-UHFFFAOYSA-N 0 0 277.545 3.588 10 0 CHAERN CC[C@@H](C)NC(=O)/C=C\c1ccc(C)c(Cl)c1 ZINC000095935843 185033449 /nfs/dbraw/zinc/03/34/49/185033449.db2.gz ANKMMGWNBUGITK-SKVAFPRGSA-N 0 0 251.757 3.576 10 0 CHAERN Cc1nc(Nc2cc(N)ccc2Cl)sc1C ZINC000082659414 178144416 /nfs/dbraw/zinc/14/44/16/178144416.db2.gz YEQUMGRXWVZNSZ-UHFFFAOYSA-N 0 0 253.758 3.739 10 0 CHAERN COc1ccc2c(c1)CCCC(=O)[C@H]2Cc1ccccc1 ZINC000096028752 185067225 /nfs/dbraw/zinc/06/72/25/185067225.db2.gz DLBMYKNDGUIJBB-SFHVURJKSA-N 0 0 280.367 3.927 10 0 CHAERN COc1ccc2c(c1)CCCC(=O)[C@@H]2Cc1ccccc1 ZINC000096028751 185067524 /nfs/dbraw/zinc/06/75/24/185067524.db2.gz DLBMYKNDGUIJBB-GOSISDBHSA-N 0 0 280.367 3.927 10 0 CHAERN Cc1cc(Cl)nc2c(O)ccc(Br)c12 ZINC000082788522 178293746 /nfs/dbraw/zinc/29/37/46/178293746.db2.gz FCYLZMUGVXDJLP-UHFFFAOYSA-N 0 0 272.529 3.665 10 0 CHAERN O=C(c1cc(Br)ccc1F)C1CCCC1 ZINC000083255851 178371722 /nfs/dbraw/zinc/37/17/22/178371722.db2.gz NMLOCWDXWDLBHO-UHFFFAOYSA-N 0 0 271.129 3.961 10 0 CHAERN O=[N+]([O-])/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000096910438 185129157 /nfs/dbraw/zinc/12/91/57/185129157.db2.gz SSVRSUGPRBRCKB-ONEGZZNKSA-N 0 0 251.591 3.606 10 0 CHAERN O=Cc1sccc1-c1cccc(Br)c1 ZINC000096947581 185136759 /nfs/dbraw/zinc/13/67/59/185136759.db2.gz OEYZTDHDEOORBP-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN CCc1ccnc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000330159921 529624344 /nfs/dbraw/zinc/62/43/44/529624344.db2.gz RKXCOUHENJTDET-IMRBUKKESA-N 0 0 269.348 3.598 10 0 CHAERN CCc1cnc([C@H](C)Nc2ccnc(C3CC3)n2)s1 ZINC000301561480 529664715 /nfs/dbraw/zinc/66/47/15/529664715.db2.gz OTTPMPZKLVERBQ-VIFPVBQESA-N 0 0 274.393 3.546 10 0 CHAERN COCc1cc(Br)ccc1N1CCCC[C@H]1C ZINC000097757714 136523199 /nfs/dbraw/zinc/52/31/99/136523199.db2.gz DBSFMOSYZZQSRL-LLVKDONJSA-N 0 0 298.224 3.974 10 0 CHAERN Nc1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000098129213 185690816 /nfs/dbraw/zinc/69/08/16/185690816.db2.gz SDQYYFDSKCTCMU-UHFFFAOYSA-N 0 0 254.120 3.714 10 0 CHAERN CCOC(=O)c1c(N)sc(-c2ccccc2F)c1C ZINC000098176140 185697355 /nfs/dbraw/zinc/69/73/55/185697355.db2.gz KNYRXMCIAJPRMX-UHFFFAOYSA-N 0 0 279.336 3.622 10 0 CHAERN C[C@H]1CC(=O)CCN1c1ccc(C(F)(F)F)cc1Cl ZINC000104230648 136554016 /nfs/dbraw/zinc/55/40/16/136554016.db2.gz FJBRYZSMXVBDLV-QMMMGPOBSA-N 0 0 291.700 3.917 10 0 CHAERN CC(C)c1ccc(-c2nc(C3CC3)n(C)c2N)cc1 ZINC000103501823 185846002 /nfs/dbraw/zinc/84/60/02/185846002.db2.gz FLELDYIANKRQAV-UHFFFAOYSA-N 0 0 255.365 3.670 10 0 CHAERN CCCCCCc1nc(-c2ccccc2)n(C)c1N ZINC000103502231 185847386 /nfs/dbraw/zinc/84/73/86/185847386.db2.gz YWCRGTZRKVZCDA-UHFFFAOYSA-N 0 0 257.381 3.792 10 0 CHAERN CC(C)(C)c1nnc(Cl)n1Cc1cccc(Cl)c1 ZINC000103927017 185862712 /nfs/dbraw/zinc/86/27/12/185862712.db2.gz IOCIDIVNEUUKBX-UHFFFAOYSA-N 0 0 284.190 3.931 10 0 CHAERN CCCC[C@H](CC)COc1nc(Cl)nc(OCC)n1 ZINC000104011179 185881260 /nfs/dbraw/zinc/88/12/60/185881260.db2.gz QJFUXAKJHXTOIZ-JTQLQIEISA-N 0 0 287.791 3.519 10 0 CHAERN Nc1cccc(F)c1CSc1ccccc1F ZINC000104056521 185887144 /nfs/dbraw/zinc/88/71/44/185887144.db2.gz TVGRENPLFNOYFW-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN CC(C)[C@H](c1nc(-c2ccccc2Cl)no1)[C@H](C)O ZINC000104057343 185888320 /nfs/dbraw/zinc/88/83/20/185888320.db2.gz OJNVDJJBWZYTGA-CABZTGNLSA-N 0 0 280.755 3.510 10 0 CHAERN Cc1ccc(F)cc1-n1c2cc(F)ccc2[nH]c1=S ZINC000104162564 185914949 /nfs/dbraw/zinc/91/49/49/185914949.db2.gz UBPUCWNKYYNKTG-UHFFFAOYSA-N 0 0 276.311 3.901 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Nc1ncnc(Cl)c1C ZINC000104221372 185935246 /nfs/dbraw/zinc/93/52/46/185935246.db2.gz WUNNMJLCOQCGKP-QWRGUYRKSA-N 0 0 253.777 3.819 10 0 CHAERN Cc1c(Cl)ncnc1Nc1cccc2cnccc21 ZINC000104227874 185936720 /nfs/dbraw/zinc/93/67/20/185936720.db2.gz IEMYFXBGLKQFKA-UHFFFAOYSA-N 0 0 270.723 3.730 10 0 CHAERN Clc1cc(Sc2nnc(C3CC3)n2C2CC2)ccn1 ZINC000104275761 185951582 /nfs/dbraw/zinc/95/15/82/185951582.db2.gz ISAXCJVVZLUTRK-UHFFFAOYSA-N 0 0 292.795 3.690 10 0 CHAERN CSc1ccccc1Oc1ccc(C(N)=S)cc1 ZINC000104334586 185973311 /nfs/dbraw/zinc/97/33/11/185973311.db2.gz FZFDWYCYKUZGFX-UHFFFAOYSA-N 0 0 275.398 3.835 10 0 CHAERN Nc1ccccc1CCOc1ccc(F)c(Cl)c1 ZINC000104421934 185996053 /nfs/dbraw/zinc/99/60/53/185996053.db2.gz VMZIZDYAVJFYJS-UHFFFAOYSA-N 0 0 265.715 3.683 10 0 CHAERN S=c1[nH]c2cc(Cl)ccc2n1CCc1cscn1 ZINC000104440128 186003327 /nfs/dbraw/zinc/00/33/27/186003327.db2.gz XBLWATDNEIJPAN-UHFFFAOYSA-N 0 0 295.820 3.678 10 0 CHAERN COc1ccc(CNc2cncc(-c3ccncc3)c2)cc1 ZINC000090547681 180001761 /nfs/dbraw/zinc/00/17/61/180001761.db2.gz YTUIOLUKVHWFIN-UHFFFAOYSA-N 0 0 291.354 3.764 10 0 CHAERN C[C@H](Cc1nc2cc(Br)cnc2[nH]1)C(C)(C)C ZINC000104440479 186002922 /nfs/dbraw/zinc/00/29/22/186002922.db2.gz LPNZYYVQFBINHG-MRVPVSSYSA-N 0 0 296.212 3.945 10 0 CHAERN Cc1cn(-c2ccc3nc(-c4ccccc4)ncc3c2)cn1 ZINC000114470129 186625061 /nfs/dbraw/zinc/62/50/61/186625061.db2.gz NXNLFYOOYJDWGL-UHFFFAOYSA-N 0 0 286.338 3.791 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(/C=C/c2ccccn2)o1 ZINC000299748857 200855849 /nfs/dbraw/zinc/85/58/49/200855849.db2.gz IMHXFOSOZGLYTF-IZYAJXRASA-N 0 0 299.374 3.554 10 0 CHAERN C[C@@H](NC(=O)[C@@H](C)SCC1CCC1)c1ccccc1 ZINC000173858872 261172932 /nfs/dbraw/zinc/17/29/32/261172932.db2.gz YMERBJGTEYMQEQ-CHWSQXEVSA-N 0 0 277.433 3.786 10 0 CHAERN COc1ccc2[nH]c(/C=C/c3cccnc3)cc2c1 ZINC000255996485 190000727 /nfs/dbraw/zinc/00/07/27/190000727.db2.gz QFBNFHMMZQCLOP-SNAWJCMRSA-N 0 0 250.301 3.742 10 0 CHAERN CC(=O)OC1=C(c2ccccc2)COc2ccccc21 ZINC000256006292 190001196 /nfs/dbraw/zinc/00/11/96/190001196.db2.gz VEZKKHLHAYUYAD-UHFFFAOYSA-N 0 0 266.296 3.510 10 0 CHAERN COC(=O)[C@@H]1CC12CCC(C1CCCCC1)CC2 ZINC000261508258 190040128 /nfs/dbraw/zinc/04/01/28/190040128.db2.gz QXBCYMJVTLLOPI-BBBYJDLNSA-N 0 0 250.382 3.936 10 0 CHAERN Cc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1 ZINC000000145193 169553228 /nfs/dbraw/zinc/55/32/28/169553228.db2.gz BRYOFKZQZHCGKL-UHFFFAOYSA-N 0 0 283.278 3.785 10 0 CHAERN Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1 ZINC000000429828 169638333 /nfs/dbraw/zinc/63/83/33/169638333.db2.gz DTSJGRSTTBIZMS-UHFFFAOYSA-N 0 0 285.391 3.608 10 0 aggregator CHAERN COc1ccc2c(c1)nc(-c1ccc(N)cc1)n2C(C)C ZINC000074297723 184580310 /nfs/dbraw/zinc/58/03/10/184580310.db2.gz OZOJKLKPEGMAOX-UHFFFAOYSA-N 0 0 281.359 3.875 10 0 CHAERN Cc1cc([C@]2(O)CC[C@H](C)C2)ccc1Br ZINC000521401965 256845252 /nfs/dbraw/zinc/84/52/52/256845252.db2.gz SSIASBJVJHETLB-ZANVPECISA-N 0 0 269.182 3.765 10 0 CHAERN O=C(/C=C/c1ccccc1Cl)Oc1ccccc1 ZINC000003104050 169856369 /nfs/dbraw/zinc/85/63/69/169856369.db2.gz CQKQQLKIXWSMPD-ZHACJKMWSA-N 0 0 258.704 3.959 10 0 CHAERN Cc1ccc2c(c1)C1c3cc(C)ccc3N(C)CC1CN2C ZINC000005330984 134656160 /nfs/dbraw/zinc/65/61/60/134656160.db2.gz INVDQDXIIBOQIZ-UHFFFAOYSA-N 0 0 292.426 3.951 10 0 CHAERN O=C(CN1CCCc2ccccc21)c1ccc(F)cc1F ZINC000035020300 134786913 /nfs/dbraw/zinc/78/69/13/134786913.db2.gz MNBUHIGJFHVLQG-UHFFFAOYSA-N 0 0 287.309 3.600 10 0 CHAERN O=Cc1cc(F)ccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827273 134824091 /nfs/dbraw/zinc/82/40/91/134824091.db2.gz AMRQOEPACPHJLH-WFASDCNBSA-N 0 0 261.340 3.797 10 0 CHAERN Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CC[C@@H]2C ZINC000091692589 135073291 /nfs/dbraw/zinc/07/32/91/135073291.db2.gz WYQFYEWBJDOHFZ-JTQLQIEISA-N 0 0 262.353 3.639 10 0 CHAERN CC(C)(C)[C@@H](O)CCc1ccc(Br)s1 ZINC000049852205 175501210 /nfs/dbraw/zinc/50/12/10/175501210.db2.gz QVDFGKVNODQAME-VIFPVBQESA-N 0 0 277.227 3.850 10 0 CHAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC ZINC000001934726 169763895 /nfs/dbraw/zinc/76/38/95/169763895.db2.gz SVAZBSFIUKWSJH-ZRDIBKRKSA-N 0 0 297.354 3.746 10 0 CHAERN Cc1sc2ncn3c(nnc3-c3ccc(F)cc3)c2c1C ZINC000001942507 169764459 /nfs/dbraw/zinc/76/44/59/169764459.db2.gz UAGNQPBIPRGGFB-UHFFFAOYSA-N 0 0 298.346 3.762 10 0 CHAERN Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000002525082 169801943 /nfs/dbraw/zinc/80/19/43/169801943.db2.gz YCTQBNZIWPJPTP-UHFFFAOYSA-N 0 0 297.741 3.945 10 0 CHAERN CCn1nccc1CNc1ccccc1C(F)(F)F ZINC000002536415 169804600 /nfs/dbraw/zinc/80/46/00/169804600.db2.gz PJPYTNRTVGXAGS-UHFFFAOYSA-N 0 0 269.270 3.534 10 0 CHAERN O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000003181555 169865761 /nfs/dbraw/zinc/86/57/61/169865761.db2.gz XBZZWYVEOVZNNF-CABCVRRESA-N 0 0 255.292 3.568 10 0 CHAERN COc1cc2cc(OCc3ccccc3)cnc2cc1OC ZINC000003834031 169914417 /nfs/dbraw/zinc/91/44/17/169914417.db2.gz ZJIOVLLLFWQBKA-UHFFFAOYSA-N 0 0 295.338 3.831 10 0 in-vivo CHAERN CCCCc1c(C)c(OC)c2c(ccn2C)c1OC(C)=O ZINC000005139119 170069906 /nfs/dbraw/zinc/06/99/06/170069906.db2.gz FYMZYHWBRKJVLA-UHFFFAOYSA-N 0 0 289.375 3.763 10 0 CHAERN Nc1ccccc1SCSc1ccccc1N ZINC000005162258 170072659 /nfs/dbraw/zinc/07/26/59/170072659.db2.gz NBZBEJOKMAJWOQ-UHFFFAOYSA-N 0 0 262.403 3.693 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000005295115 170084086 /nfs/dbraw/zinc/08/40/86/170084086.db2.gz PNNJSBVXMFYEQO-AWEZNQCLSA-N 0 0 283.371 3.963 10 0 CHAERN CC[C@@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005337104 170087009 /nfs/dbraw/zinc/08/70/09/170087009.db2.gz MUKQPCFPAXEGMH-INIZCTEOSA-N 0 0 276.343 3.912 10 0 CHAERN CC[C@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005337461 170087306 /nfs/dbraw/zinc/08/73/06/170087306.db2.gz MUKQPCFPAXEGMH-MRXNPFEDSA-N 0 0 276.343 3.912 10 0 CHAERN C[C@@H]1CCCCN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000005527982 170108994 /nfs/dbraw/zinc/10/89/94/170108994.db2.gz FMWJWZKIPXLWDZ-IDVQTMNDSA-N 0 0 263.768 3.754 10 0 CHAERN COC(=S)C1=C(OC)C(C)(C)Nc2ccc(C)cc21 ZINC000005571124 170115154 /nfs/dbraw/zinc/11/51/54/170115154.db2.gz KQNFVNVSSMVQLH-UHFFFAOYSA-N 0 0 277.389 3.530 10 0 CHAERN NC(=S)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000005592448 170117274 /nfs/dbraw/zinc/11/72/74/170117274.db2.gz YIMBKSVUBOCLQJ-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN O=C(c1cnccn1)N(C1CCCCC1)C1CCCCC1 ZINC000005705247 170131336 /nfs/dbraw/zinc/13/13/36/170131336.db2.gz UIMGZWOXRUVHCT-UHFFFAOYSA-N 0 0 287.407 3.584 10 0 CHAERN CCC[C@@H]1CC[C@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000005839625 170146082 /nfs/dbraw/zinc/14/60/82/170146082.db2.gz LEXNQFMZOCFPDH-CHWSQXEVSA-N 0 0 280.364 3.733 10 0 in-vitro CHAERN Cc1cc(C)cc(Sc2c(N)c(=O)[nH]c3ccccc32)c1 ZINC000005892121 170150996 /nfs/dbraw/zinc/15/09/96/170150996.db2.gz GIVHIQBOULOWEA-UHFFFAOYSA-N 0 0 296.395 3.878 10 0 CHAERN CC(C)(C)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005901064 170152582 /nfs/dbraw/zinc/15/25/82/170152582.db2.gz MHLVLJMTPXPKOF-FNORWQNLSA-N 0 0 272.175 3.921 10 0 CHAERN Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)nc1 ZINC000005935842 170157411 /nfs/dbraw/zinc/15/74/11/170157411.db2.gz PBCYZXPFWPASAK-SOFGYWHQSA-N 0 0 272.735 3.695 10 0 CHAERN O=C1c2cccn2-c2ccccc2O[C@H]1c1ccccc1 ZINC000005939231 170158961 /nfs/dbraw/zinc/15/89/61/170158961.db2.gz QZTKUZOCHYJNES-SFHVURJKSA-N 0 0 275.307 3.794 10 0 CHAERN c1ccc([C@@H]2CC=NC(=Nc3nc4ccccc4o3)N2)cc1 ZINC000006241801 170184674 /nfs/dbraw/zinc/18/46/74/170184674.db2.gz BJPJARRFIYPVOJ-ZDUSSCGKSA-N 0 0 290.326 3.812 10 0 CHAERN Cc1ccc(/C=C/C(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000006272559 170187425 /nfs/dbraw/zinc/18/74/25/170187425.db2.gz VUIBJLMQHCLNQT-KPWZGGAESA-N 0 0 257.377 3.798 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000006301439 170189400 /nfs/dbraw/zinc/18/94/00/170189400.db2.gz MZONNQDBWAQZSO-BUHFOSPRSA-N 0 0 263.340 3.679 10 0 CHAERN Cc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000006300395 170189547 /nfs/dbraw/zinc/18/95/47/170189547.db2.gz SSJFYLUYUQYXFW-UHFFFAOYSA-N 0 0 296.370 3.842 10 0 CHAERN CCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCC)cc1 ZINC000006396698 170197883 /nfs/dbraw/zinc/19/78/83/170197883.db2.gz WDTSEBCKVJBIFD-CYBMUJFWSA-N 0 0 290.407 3.734 10 0 CHAERN S=c1[nH]c(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006861653 170250752 /nfs/dbraw/zinc/25/07/52/170250752.db2.gz IRTBZJXFFATASN-UHFFFAOYSA-N 0 0 251.420 3.900 10 0 CHAERN CCc1ccccc1N[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000007057566 170265145 /nfs/dbraw/zinc/26/51/45/170265145.db2.gz PWMLKMSRHBTFGO-CQSZACIVSA-N 0 0 282.387 3.997 10 0 CHAERN CCOC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007227012 170272801 /nfs/dbraw/zinc/27/28/01/170272801.db2.gz LANSVXUQOIASGU-UHFFFAOYSA-N 0 0 262.353 3.635 10 0 CHAERN COc1ccc(-c2nc3ccccc3c(=S)[nH]2)cc1 ZINC000007275871 170276111 /nfs/dbraw/zinc/27/61/11/170276111.db2.gz WZXCMTCFWLQCHN-UHFFFAOYSA-N 0 0 268.341 3.594 10 0 CHAERN CC(C)(C)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000007844647 170304798 /nfs/dbraw/zinc/30/47/98/170304798.db2.gz SBFQXSFIOGFFEK-UHFFFAOYSA-N 0 0 276.361 3.749 10 0 CHAERN Cc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccccc1 ZINC000008181784 170323070 /nfs/dbraw/zinc/32/30/70/170323070.db2.gz MRMDSBUOBMSKGI-LHNRBYRGSA-N 0 0 265.356 3.886 10 0 CHAERN CCOC(=O)c1cc2c(cn1)sc1ccccc12 ZINC000008253053 170326949 /nfs/dbraw/zinc/32/69/49/170326949.db2.gz DMLIEGFLXSROFK-UHFFFAOYSA-N 0 0 257.314 3.626 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000008277124 170328401 /nfs/dbraw/zinc/32/84/01/170328401.db2.gz UOQSWQOQLXOHPI-SLSOJXQNSA-N 0 0 261.340 3.534 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000008277246 170328483 /nfs/dbraw/zinc/32/84/83/170328483.db2.gz NXNQBARDRLFLSP-YQNRRXMVSA-N 0 0 257.377 3.703 10 0 CHAERN C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000008303166 170330020 /nfs/dbraw/zinc/33/00/20/170330020.db2.gz GLQRHSOCLVHOBL-LLVKDONJSA-N 0 0 282.318 3.798 10 0 CHAERN Cc1ccnc(NC(=O)c2cc3cc(F)ccc3nc2C)c1 ZINC000008416569 170335829 /nfs/dbraw/zinc/33/58/29/170335829.db2.gz LHAPSTPWTUOVLC-UHFFFAOYSA-N 0 0 295.317 3.638 10 0 CHAERN O=C(Cc1ccccc1)Nc1ccccc1-n1cccc1 ZINC000008435992 170336478 /nfs/dbraw/zinc/33/64/78/170336478.db2.gz BJQCCEVCGAZYGS-UHFFFAOYSA-N 0 0 276.339 3.659 10 0 CHAERN Cc1ccc(NC(=O)c2c(C)cc(C)nc2Cl)cc1 ZINC000008507087 170338397 /nfs/dbraw/zinc/33/83/97/170338397.db2.gz JTNHHJMUQOJPOD-UHFFFAOYSA-N 0 0 274.751 3.913 10 0 CHAERN O=C(Cc1cccs1)Nc1nc2c(cccc2F)s1 ZINC000008736103 170352290 /nfs/dbraw/zinc/35/22/90/170352290.db2.gz MUZJKWGMULJLMY-UHFFFAOYSA-N 0 0 292.360 3.678 10 0 CHAERN CC(C)(O)c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000008785944 170356002 /nfs/dbraw/zinc/35/60/02/170356002.db2.gz TUZDPUHPMBVXHP-DHZHZOJOSA-N 0 0 292.382 3.977 10 0 CHAERN CC(C)c1cccc2sc(NC(=O)[C@H]3CCCO3)nc21 ZINC000008967723 170359883 /nfs/dbraw/zinc/35/98/83/170359883.db2.gz PTOCZPFICXCWHG-LLVKDONJSA-N 0 0 290.388 3.537 10 0 CHAERN CSc1cccc(C(=O)Nc2onc3c2CCCC3)c1 ZINC000008976648 170360109 /nfs/dbraw/zinc/36/01/09/170360109.db2.gz QBXCLYQEHVTNFD-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN CCSc1ccccc1C(=O)Nc1onc2c1CCC2 ZINC000008976468 170360397 /nfs/dbraw/zinc/36/03/97/170360397.db2.gz DVCRZZYNGNBOOX-UHFFFAOYSA-N 0 0 288.372 3.528 10 0 CHAERN CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000009230772 170367534 /nfs/dbraw/zinc/36/75/34/170367534.db2.gz OAQVLCXJNSBISZ-VAWYXSNFSA-N 0 0 294.354 3.687 10 0 CHAERN Cc1ccc(-c2onc3ccc(C(=O)NC4CC4)cc32)cc1 ZINC000009529000 170380659 /nfs/dbraw/zinc/38/06/59/170380659.db2.gz RSOVWXTYDSUUBG-UHFFFAOYSA-N 0 0 292.338 3.695 10 0 CHAERN Cc1ccc(C[C@H](CO)c2ccccc2Cl)cc1 ZINC000011734621 170436844 /nfs/dbraw/zinc/43/68/44/170436844.db2.gz QIESQOADTHWMLH-CQSZACIVSA-N 0 0 260.764 3.967 10 0 CHAERN NC(=S)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000011951953 170461283 /nfs/dbraw/zinc/46/12/83/170461283.db2.gz FRZQXUZXHGIYSY-UHFFFAOYSA-N 0 0 277.776 3.553 10 0 CHAERN CCNc1nc(SC)nc2sc3c(c21)CCCC3 ZINC000012211030 170473454 /nfs/dbraw/zinc/47/34/54/170473454.db2.gz MJNRZXLHLQIBGM-UHFFFAOYSA-N 0 0 279.434 3.724 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccon2)cc1 ZINC000013646097 170572897 /nfs/dbraw/zinc/57/28/97/170572897.db2.gz HXVKIAJANULJSY-GFCCVEGCSA-N 0 0 272.348 3.615 10 0 CHAERN CCOc1ccccc1NC(=S)Nc1cccc(C)n1 ZINC000013837697 170603643 /nfs/dbraw/zinc/60/36/43/170603643.db2.gz FNDHLHOHHMVKKN-UHFFFAOYSA-N 0 0 287.388 3.598 10 0 CHAERN Cc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c(C)c1 ZINC000013946385 170611291 /nfs/dbraw/zinc/61/12/91/170611291.db2.gz VDNOHZTTYPBZPX-UHFFFAOYSA-N 0 0 297.464 3.606 10 0 CHAERN CCOc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1 ZINC000014778712 170644972 /nfs/dbraw/zinc/64/49/72/170644972.db2.gz ISKJYXYDLNWPRR-UHFFFAOYSA-N 0 0 284.311 3.507 10 0 CHAERN Cc1cccc(/C=C/C(=O)NCCc2ccccc2C)c1 ZINC000018832089 170750372 /nfs/dbraw/zinc/75/03/72/170750372.db2.gz CZKWHJOYAUBIMH-ZHACJKMWSA-N 0 0 279.383 3.676 10 0 CHAERN Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000019265521 170764272 /nfs/dbraw/zinc/76/42/72/170764272.db2.gz NKQAFOHEVMHTBH-UHFFFAOYSA-N 0 0 281.142 3.828 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(N)ccc1C ZINC000019277804 170770065 /nfs/dbraw/zinc/77/00/65/170770065.db2.gz WKHCHBISNMTREK-XJKSGUPXSA-N 0 0 290.407 3.501 10 0 CHAERN O=C(Nc1ccccc1)Nc1cccc2c1CCCN2 ZINC000019281590 170772007 /nfs/dbraw/zinc/77/20/07/170772007.db2.gz UCBVUGDTLPZXIR-UHFFFAOYSA-N 0 0 267.332 3.689 10 0 CHAERN CC(=O)CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000019410542 170789066 /nfs/dbraw/zinc/78/90/66/170789066.db2.gz LTNYSEMQTBGRPO-UHFFFAOYSA-N 0 0 283.327 3.705 10 0 CHAERN Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1N ZINC000019442186 170803051 /nfs/dbraw/zinc/80/30/51/170803051.db2.gz WRROMCJZIAIUED-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2C[C@H](C)Nc3ccccc32)cc1 ZINC000019472522 170805667 /nfs/dbraw/zinc/80/56/67/170805667.db2.gz BPEARTZMFMFFGF-BBRMVZONSA-N 0 0 280.371 3.921 10 0 CHAERN Cc1c(N)cccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000019811205 170879222 /nfs/dbraw/zinc/87/92/22/170879222.db2.gz LAZLGODZAIASAB-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(N)c1 ZINC000019845952 170894528 /nfs/dbraw/zinc/89/45/28/170894528.db2.gz FMIWWKVCGQFGES-SNVBAGLBSA-N 0 0 290.363 3.527 10 0 CHAERN COc1cc([C@@H](C)Nc2cc(F)ccc2F)ccc1O ZINC000019907877 170920152 /nfs/dbraw/zinc/92/01/52/170920152.db2.gz CZNBZBUTLWFNLC-SECBINFHSA-N 0 0 279.286 3.852 10 0 CHAERN C[C@H](Nc1ccccc1F)c1ccc2c(c1)OCO2 ZINC000019944477 170936014 /nfs/dbraw/zinc/93/60/14/170936014.db2.gz OCFRJBSQELVWEM-JTQLQIEISA-N 0 0 259.280 3.728 10 0 CHAERN c1ccc(CCOc2cccc3c2NCCC3)cc1 ZINC000019965312 170946751 /nfs/dbraw/zinc/94/67/51/170946751.db2.gz VWGBCQDVWHLRDR-UHFFFAOYSA-N 0 0 253.345 3.666 10 0 CHAERN COc1cc(CNc2ccc(Cl)cc2C)ccc1O ZINC000020095154 170994553 /nfs/dbraw/zinc/99/45/53/170994553.db2.gz WHODXJNHFQJCCZ-UHFFFAOYSA-N 0 0 277.751 3.975 10 0 CHAERN CNC(=O)c1cccc(N[C@H](C)c2ccc(C)s2)c1 ZINC000020124731 171007071 /nfs/dbraw/zinc/00/70/71/171007071.db2.gz HMIJOPVCKRFBLH-LLVKDONJSA-N 0 0 274.389 3.589 10 0 CHAERN C[C@@H](NCc1nc2ccccc2s1)c1ccco1 ZINC000020136175 171024141 /nfs/dbraw/zinc/02/41/41/171024141.db2.gz HMIVGHXRYXYUDY-SNVBAGLBSA-N 0 0 258.346 3.740 10 0 CHAERN C[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnco2)cc1 ZINC000020186824 171050948 /nfs/dbraw/zinc/05/09/48/171050948.db2.gz VDAJPIGMLGGCAC-FZMZJTMJSA-N 0 0 257.337 3.727 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)CCc1ccccc1N ZINC000020187519 171052057 /nfs/dbraw/zinc/05/20/57/171052057.db2.gz NKXFLDOXBVVMGS-UHFFFAOYSA-N 0 0 288.778 3.802 10 0 CHAERN Oc1cccc(NCc2cccc(Br)c2)c1 ZINC000020193041 171059084 /nfs/dbraw/zinc/05/90/84/171059084.db2.gz FXAOLDYOPZJDIZ-UHFFFAOYSA-N 0 0 278.149 3.767 10 0 CHAERN CN(C(=O)c1cccc(C(F)(F)F)c1)c1ccc(O)cc1 ZINC000020210751 171074039 /nfs/dbraw/zinc/07/40/39/171074039.db2.gz WZGXUBUHHGKGAJ-UHFFFAOYSA-N 0 0 295.260 3.688 10 0 CHAERN Fc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246264 171099458 /nfs/dbraw/zinc/09/94/58/171099458.db2.gz XHYHXORBUXFWPF-UHFFFAOYSA-N 0 0 252.292 3.986 10 0 CHAERN Cn1c(C=O)ccc1-c1cc(Cl)ccc1Cl ZINC000020272406 171127360 /nfs/dbraw/zinc/12/73/60/171127360.db2.gz PCVCUBMBPNCMSX-UHFFFAOYSA-N 0 0 254.116 3.811 10 0 CHAERN COc1cccc(COc2c(C)cc(C=O)cc2C)c1 ZINC000020297979 171137786 /nfs/dbraw/zinc/13/77/86/171137786.db2.gz GQQYWKZSUBOWOF-UHFFFAOYSA-N 0 0 270.328 3.704 10 0 CHAERN Cc1ccc(Cl)cc1N[C@@H](C)C(=O)NC1CCCC1 ZINC000020301422 171138836 /nfs/dbraw/zinc/13/88/36/171138836.db2.gz HNNHMVVFDBOADY-NSHDSACASA-N 0 0 280.799 3.508 10 0 CHAERN Cc1ccc(N2C(=S)N=NC2C(C)C)cc1Cl ZINC000020303879 171140236 /nfs/dbraw/zinc/14/02/36/171140236.db2.gz WFWFKRPNWNELAS-UHFFFAOYSA-N 0 0 267.785 3.641 10 0 CHAERN N=C1c2ccccc2CN1c1ccc(F)cc1Cl ZINC000020303886 171140554 /nfs/dbraw/zinc/14/05/54/171140554.db2.gz PUPBUOBTCCJWMM-UHFFFAOYSA-N 0 0 260.699 3.825 10 0 CHAERN CC(C)CNC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020313942 171145566 /nfs/dbraw/zinc/14/55/66/171145566.db2.gz FLEFWTQLFDXBAV-VIFPVBQESA-N 0 0 289.206 3.566 10 0 CHAERN Cc1cc(C)n(CNc2ccccc2C(F)(F)F)n1 ZINC000020352993 171157119 /nfs/dbraw/zinc/15/71/19/171157119.db2.gz QFVSZSGTPQQRDA-UHFFFAOYSA-N 0 0 269.270 3.588 10 0 CHAERN CC(C)c1ccccc1N[C@@H](C)C(=O)NC(C)(C)C ZINC000020359211 171157863 /nfs/dbraw/zinc/15/78/63/171157863.db2.gz WWOACTRWNYCSGQ-LBPRGKRZSA-N 0 0 262.397 3.525 10 0 CHAERN Cc1ccc(Oc2ccc3nc(N)sc3c2)cc1 ZINC000020362698 171161434 /nfs/dbraw/zinc/16/14/34/171161434.db2.gz AHTTYHQPGXDNDX-UHFFFAOYSA-N 0 0 256.330 3.979 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(C)cc1Cl ZINC000020366661 171165256 /nfs/dbraw/zinc/16/52/56/171165256.db2.gz WEIDCKXTSIPHNP-LLVKDONJSA-N 0 0 282.815 3.754 10 0 CHAERN Nc1cccc(Cl)c1NCCc1ccccc1F ZINC000020382877 171173291 /nfs/dbraw/zinc/17/32/91/171173291.db2.gz AGOLNPFWMHTNDL-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Cc1cc(OCc2csc(N)n2)cc(C)c1Cl ZINC000020393076 171180900 /nfs/dbraw/zinc/18/09/00/171180900.db2.gz SLKSQYJRSPXUGN-UHFFFAOYSA-N 0 0 268.769 3.575 10 0 CHAERN NC(=S)c1ccccc1Nc1ccc(F)c(Cl)c1 ZINC000020430017 171194990 /nfs/dbraw/zinc/19/49/90/171194990.db2.gz STNLVPUGWLHWQT-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN CCOC(=O)Cc1nc2c(s1)CSc1ccccc1-2 ZINC000020432880 171197233 /nfs/dbraw/zinc/19/72/33/171197233.db2.gz UHYACGUNPDYHIA-UHFFFAOYSA-N 0 0 291.397 3.521 10 0 CHAERN OCc1c(Cl)cccc1N1CCc2ccccc21 ZINC000020435002 171200468 /nfs/dbraw/zinc/20/04/68/171200468.db2.gz TUNGDOLWEUJFSV-UHFFFAOYSA-N 0 0 259.736 3.527 10 0 CHAERN CC1CCC(Oc2cccc(Cl)c2CO)CC1 ZINC000020435222 171200725 /nfs/dbraw/zinc/20/07/25/171200725.db2.gz YEFJPQFAIJDBSB-UHFFFAOYSA-N 0 0 254.757 3.790 10 0 CHAERN COc1cc(CNc2ccc(C)cc2Cl)ccc1O ZINC000020471350 171214003 /nfs/dbraw/zinc/21/40/03/171214003.db2.gz RWJVKWUSJONGOA-UHFFFAOYSA-N 0 0 277.751 3.975 10 0 CHAERN C[C@@H]1CCC[C@H](OCc2cc(C(N)=S)ccc2F)C1 ZINC000020516042 171232442 /nfs/dbraw/zinc/23/24/42/171232442.db2.gz OMMZIIHJPJTJJL-MFKMUULPSA-N 0 0 281.396 3.555 10 0 CHAERN CCCCOc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 ZINC000020547338 171244913 /nfs/dbraw/zinc/24/49/13/171244913.db2.gz OSFQWXKHLWXPGH-UHFFFAOYSA-N 0 0 281.359 3.991 10 0 CHAERN CC1CCC(Nc2ccc(Br)cn2)CC1 ZINC000020552731 171248195 /nfs/dbraw/zinc/24/81/95/171248195.db2.gz KFALDQCDQPXXLQ-UHFFFAOYSA-N 0 0 269.186 3.835 10 0 CHAERN Clc1cccc([C@@H]2CC(c3ccccc3)=NN2)c1 ZINC000020578316 171256528 /nfs/dbraw/zinc/25/65/28/171256528.db2.gz UNAQHRILBXVEFV-HNNXBMFYSA-N 0 0 256.736 3.779 10 0 CHAERN CCc1cccc(N2C(=S)N=NC2c2cccs2)c1 ZINC000020591252 171261407 /nfs/dbraw/zinc/26/14/07/171261407.db2.gz XXFMCHFWMCVTHV-UHFFFAOYSA-N 0 0 287.413 3.847 10 0 CHAERN COc1ccc(C)cc1[C@H](N)c1cc2ccccc2o1 ZINC000020592731 171262090 /nfs/dbraw/zinc/26/20/90/171262090.db2.gz XUWFZTPPURIFCB-KRWDZBQOSA-N 0 0 267.328 3.798 10 0 CHAERN Cc1cccc(N)c1C(=O)Nc1ccc(F)cc1Cl ZINC000020594663 171263757 /nfs/dbraw/zinc/26/37/57/171263757.db2.gz DDLVAEVNXWAGEV-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN CCCSc1nnc(C(F)(F)F)n1-c1ccccc1 ZINC000020840734 171275582 /nfs/dbraw/zinc/27/55/82/171275582.db2.gz JTEPXMJDKJGNMD-UHFFFAOYSA-N 0 0 287.310 3.788 10 0 CHAERN CCCn1c2ccccc2nc1CCc1cccc(N)c1 ZINC000020980518 171282957 /nfs/dbraw/zinc/28/29/57/171282957.db2.gz BFPPDCQPDOUDAF-UHFFFAOYSA-N 0 0 279.387 3.814 10 0 CHAERN NC(=S)c1ccnc(Nc2cc(Cl)cc(Cl)c2)c1 ZINC000021057581 171296088 /nfs/dbraw/zinc/29/60/88/171296088.db2.gz PZAJVKDBRWAEGI-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN Cc1cc(C(=O)NCc2ccccc2)c(C)c(F)c1F ZINC000021266741 171300327 /nfs/dbraw/zinc/30/03/27/171300327.db2.gz RDIURSVYRUPPNK-UHFFFAOYSA-N 0 0 275.298 3.512 10 0 CHAERN COc1ccc(CO[C@@H](C)c2ccccc2)cc1N ZINC000021515739 171312564 /nfs/dbraw/zinc/31/25/64/171312564.db2.gz KAAYAVIIPHTCSU-LBPRGKRZSA-N 0 0 257.333 3.555 10 0 CHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(Cl)cc1O ZINC000021516588 171312802 /nfs/dbraw/zinc/31/28/02/171312802.db2.gz RUXSCAXZSRLXCV-CWSCBRNRSA-N 0 0 281.783 3.600 10 0 CHAERN NC(=S)c1ccc(Nc2cc(Cl)cc(Cl)c2)nc1 ZINC000021816483 171332306 /nfs/dbraw/zinc/33/23/06/171332306.db2.gz PQOXPELHMPYESU-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN Cc1c(N)cccc1NC(=O)c1ccccc1C(F)(F)F ZINC000021954754 171341183 /nfs/dbraw/zinc/34/11/83/171341183.db2.gz PWGHCNFJYCRQAB-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Nc1ccc(NC(=O)Nc2ccc(F)cc2)c(Cl)c1 ZINC000021956281 171341470 /nfs/dbraw/zinc/34/14/70/171341470.db2.gz UPCMMTFCDHVARP-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Cc1cccc(NC(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000022141971 171355538 /nfs/dbraw/zinc/35/55/38/171355538.db2.gz YYGKNXDSFWNNPK-UHFFFAOYSA-N 0 0 275.739 3.875 10 0 CHAERN CCc1ccc(OCc2cc(C(N)=S)ccc2F)cc1 ZINC000022153379 171360736 /nfs/dbraw/zinc/36/07/36/171360736.db2.gz IQVONANUTBSHQV-UHFFFAOYSA-N 0 0 289.375 3.601 10 0 CHAERN Cc1cn2nc(N[C@@H](C)c3cccc(Cl)c3)sc2n1 ZINC000026693225 171496283 /nfs/dbraw/zinc/49/62/83/171496283.db2.gz VZUAJWYKEJEUEH-VIFPVBQESA-N 0 0 292.795 3.926 10 0 CHAERN Cc1cc2occ(CC(=O)Nc3ccncc3)c2c(C)c1 ZINC000027232948 171511527 /nfs/dbraw/zinc/51/15/27/171511527.db2.gz ROUFYTQKFHZCBS-UHFFFAOYSA-N 0 0 280.327 3.626 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000031104615 171630888 /nfs/dbraw/zinc/63/08/88/171630888.db2.gz AVNDHZUNZRLJRV-ZWNOBZJWSA-N 0 0 296.411 3.706 10 0 CHAERN CC[C@@H](C)NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000031425118 171637579 /nfs/dbraw/zinc/63/75/79/171637579.db2.gz WMHSFCNWWYFBSS-WILPJHFFSA-N 0 0 272.175 3.921 10 0 CHAERN CCOc1ccc(-c2nn(C(C)(C)C)cc2C=O)cc1 ZINC000031885696 171652925 /nfs/dbraw/zinc/65/29/25/171652925.db2.gz OBASPWZMDLPKGO-UHFFFAOYSA-N 0 0 272.348 3.516 10 0 CHAERN CCOc1ccc2nc(Cl)c(/C=C/[N+](=O)[O-])cc2c1 ZINC000032099808 171696899 /nfs/dbraw/zinc/69/68/99/171696899.db2.gz JKUHYEMCOUYAFS-AATRIKPKSA-N 0 0 278.695 3.534 10 0 CHAERN Cc1ccccc1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000032112283 171705226 /nfs/dbraw/zinc/70/52/26/171705226.db2.gz RILYYTSGLCSXHS-OAHLLOKOSA-N 0 0 261.752 3.794 10 0 CHAERN COc1ccc(C=O)cc1-c1ccc2c(ccn2C)c1 ZINC000033428691 171796118 /nfs/dbraw/zinc/79/61/18/171796118.db2.gz KPVCUFOIIPCCCM-UHFFFAOYSA-N 0 0 265.312 3.666 10 0 CHAERN Cc1cc(C)n(C(=O)/C=C\c2c(F)cccc2Cl)n1 ZINC000033456404 171804043 /nfs/dbraw/zinc/80/40/43/171804043.db2.gz ZPKSXVYOZDBNQC-SREVYHEPSA-N 0 0 278.714 3.646 10 0 CHAERN O=C(/C=C\c1cccc(Cl)c1)NCc1cccs1 ZINC000033456591 171804289 /nfs/dbraw/zinc/80/42/89/171804289.db2.gz PXQUQJWVFJRPII-SREVYHEPSA-N 0 0 277.776 3.731 10 0 CHAERN CC(C)CCNC(=O)/C(=C\c1ccco1)c1ccccc1 ZINC000033526584 171812561 /nfs/dbraw/zinc/81/25/61/171812561.db2.gz MQIUBFPMTIPZIP-LGMDPLHJSA-N 0 0 283.371 3.983 10 0 CHAERN Cc1ccnc2c(OCc3ccccn3)cccc12 ZINC000033724508 171819299 /nfs/dbraw/zinc/81/92/99/171819299.db2.gz OOWWLWRNQGXZCG-UHFFFAOYSA-N 0 0 250.301 3.517 10 0 CHAERN Oc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000034956236 171901921 /nfs/dbraw/zinc/90/19/21/171901921.db2.gz UPCWDFJOKIRRQE-UHFFFAOYSA-N 0 0 272.691 3.763 10 0 CHAERN O=C(CCCOc1ccccc1)c1ccc(F)cc1 ZINC000034979852 171912154 /nfs/dbraw/zinc/91/21/54/171912154.db2.gz SGYFUUNVKCGGFD-UHFFFAOYSA-N 0 0 258.292 3.868 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(F)cc2F)cc1 ZINC000034980939 171913424 /nfs/dbraw/zinc/91/34/24/171913424.db2.gz DNONWEXUEQUJMF-LLVKDONJSA-N 0 0 276.282 3.923 10 0 CHAERN CN(CC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000035020751 171939035 /nfs/dbraw/zinc/93/90/35/171939035.db2.gz SNDDKUUPLHNIBH-UHFFFAOYSA-N 0 0 259.736 3.659 10 0 CHAERN CC[C@@H](C)SCC(=O)c1ccc(C)cc1OC ZINC000035047752 171951803 /nfs/dbraw/zinc/95/18/03/171951803.db2.gz JIWNOKUXTSHEOU-LLVKDONJSA-N 0 0 252.379 3.718 10 0 CHAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1ccncc1 ZINC000035122266 171992660 /nfs/dbraw/zinc/99/26/60/171992660.db2.gz CHKVYJLURDGSBZ-MRVPVSSYSA-N 0 0 268.147 3.957 10 0 CHAERN O=C(Nc1ccc(F)cc1)c1c[nH]c2ccccc12 ZINC000035134583 172001183 /nfs/dbraw/zinc/00/11/83/172001183.db2.gz SEKSIYHPXSJXSP-UHFFFAOYSA-N 0 0 254.264 3.559 10 0 CHAERN Cc1ccc(NC[C@H]2CCCCO2)c(Br)c1 ZINC000035150835 172013787 /nfs/dbraw/zinc/01/37/87/172013787.db2.gz RJMBFNWTGGITHP-LLVKDONJSA-N 0 0 284.197 3.739 10 0 CHAERN CCc1ccccc1O[C@H](C)C(=O)c1ccccc1 ZINC000035182428 172036120 /nfs/dbraw/zinc/03/61/20/172036120.db2.gz CPDICDCBLAQLKN-CYBMUJFWSA-N 0 0 254.329 3.899 10 0 CHAERN O=C1CCC[C@@H]1Sc1ccc(Br)cc1 ZINC000035182783 172036237 /nfs/dbraw/zinc/03/62/37/172036237.db2.gz PLNQWBZUSLYZNZ-NSHDSACASA-N 0 0 271.179 3.663 10 0 CHAERN CC1(C)Cc2cccc(OCC(=O)c3ccccc3)c2O1 ZINC000035183391 172036695 /nfs/dbraw/zinc/03/66/95/172036695.db2.gz CUXDHWDMFXWTFA-UHFFFAOYSA-N 0 0 282.339 3.662 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(C)c(C)c2)cc1 ZINC000035183681 172036786 /nfs/dbraw/zinc/03/67/86/172036786.db2.gz ZWHMGIIQEVEMBK-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN Cc1cccc(OCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000035183695 172036970 /nfs/dbraw/zinc/03/69/70/172036970.db2.gz UBIDEEVAGHVUAA-UHFFFAOYSA-N 0 0 266.340 3.745 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000035183780 172037187 /nfs/dbraw/zinc/03/71/87/172037187.db2.gz CYYOSECPGJGAPM-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1cccc(O[C@@H](C)C(=O)c2ccc(F)cc2)c1 ZINC000035183729 172037511 /nfs/dbraw/zinc/03/75/11/172037511.db2.gz QAXBFKSVWMZAGY-LBPRGKRZSA-N 0 0 258.292 3.784 10 0 CHAERN COc1ccc(OCC(=O)c2ccccc2Cl)cc1 ZINC000035184160 172038212 /nfs/dbraw/zinc/03/82/12/172038212.db2.gz YPHGWDFAODNLIE-UHFFFAOYSA-N 0 0 276.719 3.610 10 0 CHAERN COc1ccc(OCC(=O)c2cc3ccccc3o2)cc1 ZINC000035184196 172038316 /nfs/dbraw/zinc/03/83/16/172038316.db2.gz RTXMFDGJKCZGQK-UHFFFAOYSA-N 0 0 282.295 3.703 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)c(C)c1 ZINC000035199484 172044473 /nfs/dbraw/zinc/04/44/73/172044473.db2.gz SYZVOZPXXAHLIA-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN O=C(c1cc(Cl)ccc1O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000035219404 172059745 /nfs/dbraw/zinc/05/97/45/172059745.db2.gz YHHYTTGHPHROFN-SMDDNHRTSA-N 0 0 293.794 3.840 10 0 CHAERN COC(=O)[C@@H](N[C@H](c1ccc(Cl)cc1)C1CC1)C(C)C ZINC000035224660 172069411 /nfs/dbraw/zinc/06/94/11/172069411.db2.gz FJDLOWNDAJRWIB-GJZGRUSLSA-N 0 0 295.810 3.578 10 0 CHAERN NC(=S)c1ccccc1Nc1cc(Cl)ccc1F ZINC000035284716 172102530 /nfs/dbraw/zinc/10/25/30/172102530.db2.gz GWNSFDHSLIHMOH-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cc(Cl)ccc1F ZINC000035284555 172102722 /nfs/dbraw/zinc/10/27/22/172102722.db2.gz JHXCDQDQMXIQQK-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN Nc1ccccc1OCc1ccc(Br)cc1F ZINC000035284922 172103816 /nfs/dbraw/zinc/10/38/16/172103816.db2.gz OXBWPLXCQWKDFH-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Nc1ccc(F)cc1COc1ccc(Br)cc1 ZINC000035308709 172121330 /nfs/dbraw/zinc/12/13/30/172121330.db2.gz ONJUKUNVIJOIDU-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN CCCS(=O)(=O)c1ccccc1N[C@H](C)CC(C)C ZINC000035348648 172142827 /nfs/dbraw/zinc/14/28/27/172142827.db2.gz NZRJLCSKIJKEKO-CYBMUJFWSA-N 0 0 283.437 3.717 10 0 CHAERN CN(Cc1cccc(N)c1)Cc1ccc(F)cc1Cl ZINC000035359938 172150611 /nfs/dbraw/zinc/15/06/11/172150611.db2.gz FHVNQCZLNSFETF-UHFFFAOYSA-N 0 0 278.758 3.693 10 0 CHAERN O=C(c1ccc(Br)s1)c1ccc(F)cc1 ZINC000035368552 172160204 /nfs/dbraw/zinc/16/02/04/172160204.db2.gz HXYHIVRHGXJUEA-UHFFFAOYSA-N 0 0 285.137 3.881 10 0 CHAERN Cc1ccsc1C(=O)c1c(F)cc(F)cc1F ZINC000035368881 172160395 /nfs/dbraw/zinc/16/03/95/172160395.db2.gz JXGOOQWDCZWPIU-UHFFFAOYSA-N 0 0 256.248 3.705 10 0 CHAERN CCc1cccc2c(C(=O)c3ccc(C)o3)c[nH]c21 ZINC000035369152 172160933 /nfs/dbraw/zinc/16/09/33/172160933.db2.gz OFISHSUUCQBBDK-UHFFFAOYSA-N 0 0 253.301 3.863 10 0 CHAERN COc1ccc(C(=O)c2cccc(C)c2C)cc1F ZINC000035423858 172192809 /nfs/dbraw/zinc/19/28/09/172192809.db2.gz GGFPMCMBBMZYBO-UHFFFAOYSA-N 0 0 258.292 3.682 10 0 CHAERN CCN[C@@H](c1ccc(C)s1)C(F)(F)C(F)(F)F ZINC000035509974 172241629 /nfs/dbraw/zinc/24/16/29/172241629.db2.gz RNSYSEOLZXANDL-QMMMGPOBSA-N 0 0 273.270 3.905 10 0 CHAERN CCN[C@@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035544867 172252820 /nfs/dbraw/zinc/25/28/20/172252820.db2.gz XKBHIPRDQYTKNR-VIFPVBQESA-N 0 0 271.204 3.707 10 0 CHAERN Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1 ZINC000035576637 172273206 /nfs/dbraw/zinc/27/32/06/172273206.db2.gz JXSJVGSSFFYNGR-OAHLLOKOSA-N 0 0 274.726 3.918 10 0 CHAERN CCCN[C@H](c1ccc(F)cc1F)C(F)(F)F ZINC000035581905 172278562 /nfs/dbraw/zinc/27/85/62/172278562.db2.gz AQBKKOXTDVKCMO-SNVBAGLBSA-N 0 0 253.214 3.568 10 0 CHAERN CCCN[C@@H](c1ccco1)c1ccc(F)cc1F ZINC000035581877 172278637 /nfs/dbraw/zinc/27/86/37/172278637.db2.gz YQVYCMVNICHWTB-CQSZACIVSA-N 0 0 251.276 3.647 10 0 CHAERN C[C@@H](O)c1cccc(OCc2cccc3cccnc32)c1 ZINC000035627728 172306275 /nfs/dbraw/zinc/30/62/75/172306275.db2.gz SKWGTJSZNZGZTO-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN OCc1c(OCCc2ccccc2)ccc2ccccc21 ZINC000035630907 172313062 /nfs/dbraw/zinc/31/30/62/172313062.db2.gz PKJHHSXFODYFNX-UHFFFAOYSA-N 0 0 278.351 3.954 10 0 CHAERN CCN(Cc1ccccc1)c1ccc([C@H](C)O)cc1 ZINC000035631561 172313477 /nfs/dbraw/zinc/31/34/77/172313477.db2.gz YAIBEFCMZPVIPS-AWEZNQCLSA-N 0 0 255.361 3.766 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1N1CCCCCCC1 ZINC000035631507 172313575 /nfs/dbraw/zinc/31/35/75/172313575.db2.gz UKRBXGDOLIAQAJ-GFCCVEGCSA-N 0 0 251.345 3.650 10 0 CHAERN C[C@H](O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000035632012 172314560 /nfs/dbraw/zinc/31/45/60/172314560.db2.gz PRZMYYXKUFWPKM-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN COc1cc(C)ccc1Oc1ccccc1[C@@H](C)O ZINC000035650587 172326586 /nfs/dbraw/zinc/32/65/86/172326586.db2.gz SCOICHFAOZYLKW-GFCCVEGCSA-N 0 0 258.317 3.849 10 0 CHAERN C[C@@H](Nc1ccc(Br)cc1N)c1ccccn1 ZINC000035694698 172363681 /nfs/dbraw/zinc/36/36/81/172363681.db2.gz QJNVXKCRKIKDQG-SECBINFHSA-N 0 0 292.180 3.599 10 0 CHAERN C[C@@H](O)c1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719501 172373711 /nfs/dbraw/zinc/37/37/11/172373711.db2.gz YXJSGEIMPYMXKP-SNVBAGLBSA-N 0 0 265.353 3.577 10 0 CHAERN C[C@H]([C@H]1CCCO1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035736452 172389351 /nfs/dbraw/zinc/38/93/51/172389351.db2.gz NRALLGJXFYITMX-BXUZGUMPSA-N 0 0 274.389 3.953 10 0 CHAERN COC(=O)[C@@H](C)CNc1c(Cl)cccc1C(F)(F)F ZINC000035758374 172398820 /nfs/dbraw/zinc/39/88/20/172398820.db2.gz ZZORKOHAXFGUGT-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN C[C@H](Nc1cn[nH]c1)c1ccc(Cl)cc1Cl ZINC000035763897 172404819 /nfs/dbraw/zinc/40/48/19/172404819.db2.gz OVDSAAIRKQHKRI-ZETCQYMHSA-N 0 0 256.136 3.890 10 0 CHAERN CCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1C ZINC000036113736 172444393 /nfs/dbraw/zinc/44/43/93/172444393.db2.gz LPDXSBYCFPVIMK-LJQANCHMSA-N 0 0 279.383 3.879 10 0 CHAERN Cc1ccc2c(c1)CCN(C(=O)C1CC1)[C@H]2c1ccccc1 ZINC000036114342 172444631 /nfs/dbraw/zinc/44/46/31/172444631.db2.gz DSFZVFZICMKUCW-IBGZPJMESA-N 0 0 291.394 3.879 10 0 CHAERN COc1ccc(Br)cc1[C@H](O)CC(C)C ZINC000036174986 172495150 /nfs/dbraw/zinc/49/51/50/172495150.db2.gz ANJVIYAXVGEYOC-LLVKDONJSA-N 0 0 273.170 3.537 10 0 CHAERN Cc1cccc(C(C)C)c1NC(=O)c1cccnc1N(C)C ZINC000036175776 172496064 /nfs/dbraw/zinc/49/60/64/172496064.db2.gz UOEVAPLVAQELJP-UHFFFAOYSA-N 0 0 297.402 3.832 10 0 CHAERN Cc1ccnc(Oc2ccc(Br)cc2)c1N ZINC000036251775 172545315 /nfs/dbraw/zinc/54/53/15/172545315.db2.gz IEHJVDWCDZYXFW-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN O=C(c1ccccc1)N1CCC[C@H](OCc2ccccc2)C1 ZINC000036314595 172599654 /nfs/dbraw/zinc/59/96/54/172599654.db2.gz FBFQARZVFQMGGP-SFHVURJKSA-N 0 0 295.382 3.508 10 0 CHAERN Cc1ccc(S(C)(=O)=O)cc1NC1CCCCCC1 ZINC000036960754 172830907 /nfs/dbraw/zinc/83/09/07/172830907.db2.gz LWINLZBTDJBJBN-UHFFFAOYSA-N 0 0 281.421 3.533 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCCCOc1cccc(N)c1 ZINC000036985926 172851181 /nfs/dbraw/zinc/85/11/81/172851181.db2.gz TUANAQXYEMZQPJ-CZUORRHYSA-N 0 0 263.381 3.633 10 0 CHAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(F)c(C(N)=O)c1 ZINC000037021451 172885244 /nfs/dbraw/zinc/88/52/44/172885244.db2.gz PXHCLFGOKKFTIO-WDEREUQCSA-N 0 0 266.360 3.551 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2ccccc2-n2cccn2)C1 ZINC000037024211 172888243 /nfs/dbraw/zinc/88/82/43/172888243.db2.gz RJICQXDBBLADOI-KGLIPLIRSA-N 0 0 255.365 3.863 10 0 CHAERN Cc1nc(-c2cccc(NC[C@H]3CCOC3)c2)cs1 ZINC000037047266 172913635 /nfs/dbraw/zinc/91/36/35/172913635.db2.gz LFXKGLQCZHAOEP-GFCCVEGCSA-N 0 0 274.389 3.567 10 0 CHAERN COc1nc(Nc2cccc(Cl)c2Cl)ccc1N ZINC000037067839 172930782 /nfs/dbraw/zinc/93/07/82/172930782.db2.gz KIFDWFUQSLYZBP-UHFFFAOYSA-N 0 0 284.146 3.723 10 0 CHAERN CN(C)c1ccccc1N[C@@H]1CCc2ccccc21 ZINC000037086232 172943533 /nfs/dbraw/zinc/94/35/33/172943533.db2.gz BAHHWKMCWQFWMZ-OAHLLOKOSA-N 0 0 252.361 3.852 10 0 CHAERN COC(=O)c1ccc(NCC2CCCCC2)c(C)c1 ZINC000037099388 172953990 /nfs/dbraw/zinc/95/39/90/172953990.db2.gz WYTBLHZHGZVEDI-UHFFFAOYSA-N 0 0 261.365 3.774 10 0 CHAERN CC[C@H](C)CN(C)c1ccc(N)c(C(F)(F)F)c1 ZINC000037172827 173007002 /nfs/dbraw/zinc/00/70/02/173007002.db2.gz WXLCIIYOSCEZKM-VIFPVBQESA-N 0 0 260.303 3.770 10 0 CHAERN Nc1ccc(SCc2cccc(Cl)c2)cn1 ZINC000037192646 173022051 /nfs/dbraw/zinc/02/20/51/173022051.db2.gz XDCMDYJWTBPMIN-UHFFFAOYSA-N 0 0 250.754 3.610 10 0 CHAERN COc1ccccc1CSc1ccc(N)cc1C ZINC000037193707 173022765 /nfs/dbraw/zinc/02/27/65/173022765.db2.gz UVIHRLAOBGUIAW-UHFFFAOYSA-N 0 0 259.374 3.878 10 0 CHAERN Cc1ccc2sc(-c3ccc(N)cc3O)nc2c1 ZINC000037204421 173026586 /nfs/dbraw/zinc/02/65/86/173026586.db2.gz RNKHMIFXORXHGB-UHFFFAOYSA-N 0 0 256.330 3.560 10 0 CHAERN OCc1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000037235333 173053450 /nfs/dbraw/zinc/05/34/50/173053450.db2.gz BRHSNPMIGNIGFX-UHFFFAOYSA-N 0 0 258.292 3.599 10 0 CHAERN CSCc1ccc(CN[C@@H]2CCCc3occc32)o1 ZINC000037242178 173057675 /nfs/dbraw/zinc/05/76/75/173057675.db2.gz JFXWVTZQVKSMEW-CQSZACIVSA-N 0 0 277.389 3.903 10 0 CHAERN COC(=O)c1ccccc1NCc1ccc(C)c(C)c1 ZINC000037251627 173063587 /nfs/dbraw/zinc/06/35/87/173063587.db2.gz XLXARNLOGQULQG-UHFFFAOYSA-N 0 0 269.344 3.702 10 0 CHAERN Cc1n[nH]c(C)c1N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000037261737 173071938 /nfs/dbraw/zinc/07/19/38/173071938.db2.gz GDAOIZXYVPPGFW-OAHLLOKOSA-N 0 0 259.328 3.729 10 0 CHAERN CO[C@H]1CCCC[C@@H]1Nc1ccc2nc(C)sc2c1 ZINC000037278478 173088443 /nfs/dbraw/zinc/08/84/43/173088443.db2.gz RWUFYJHFYBTCKB-JSGCOSHPSA-N 0 0 276.405 3.974 10 0 CHAERN CO[C@@H]1CCCC[C@H]1Nc1cnc2ccccc2c1 ZINC000037284146 173091040 /nfs/dbraw/zinc/09/10/40/173091040.db2.gz BOZKFNHPEHUGGZ-HZPDHXFCSA-N 0 0 256.349 3.604 10 0 CHAERN Nc1cc(CSc2ccccc2Cl)ccc1O ZINC000037285609 173091825 /nfs/dbraw/zinc/09/18/25/173091825.db2.gz XXGALZMFYMCJEI-UHFFFAOYSA-N 0 0 265.765 3.920 10 0 CHAERN CCc1nn(-c2ccccc2Cl)c(Cl)c1C=O ZINC000037295268 173099498 /nfs/dbraw/zinc/09/94/98/173099498.db2.gz BAIHFXOPSYRAHO-UHFFFAOYSA-N 0 0 269.131 3.554 10 0 CHAERN COC(=O)c1ccccc1NCCCc1ccccc1 ZINC000037301463 173107171 /nfs/dbraw/zinc/10/71/71/173107171.db2.gz IAKJYBHPSUPUJY-UHFFFAOYSA-N 0 0 269.344 3.518 10 0 CHAERN NC(=S)c1ccc(OC2CCCC2)cc1C(F)(F)F ZINC000037306615 173110640 /nfs/dbraw/zinc/11/06/40/173110640.db2.gz QRIGDZQPZMNJNE-UHFFFAOYSA-N 0 0 289.322 3.661 10 0 CHAERN Cc1nc(COc2ccc3ccc(O)cc3c2)cs1 ZINC000037324421 173124981 /nfs/dbraw/zinc/12/49/81/173124981.db2.gz ZLWMKAAWVOTAEB-UHFFFAOYSA-N 0 0 271.341 3.889 10 0 CHAERN Oc1cc2ccccc2cc1OCc1cccnc1 ZINC000037324340 173124985 /nfs/dbraw/zinc/12/49/85/173124985.db2.gz GNHKYAKHFAQNLQ-UHFFFAOYSA-N 0 0 251.285 3.519 10 0 CHAERN O=C(CCSCc1ccco1)c1ccc(F)cc1 ZINC000037330898 173131707 /nfs/dbraw/zinc/13/17/07/173131707.db2.gz YZHXYWVCKREBSN-UHFFFAOYSA-N 0 0 264.321 3.925 10 0 CHAERN NC(=S)c1cc(C(F)(F)F)ccc1NC1CCCC1 ZINC000037334348 173135329 /nfs/dbraw/zinc/13/53/29/173135329.db2.gz WWTUNLMZBSVTRL-UHFFFAOYSA-N 0 0 288.338 3.694 10 0 CHAERN O=C(Cc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 ZINC000037358581 173148630 /nfs/dbraw/zinc/14/86/30/173148630.db2.gz UFWMXAOTEOSRLB-UHFFFAOYSA-N 0 0 272.731 3.700 10 0 CHAERN CC(C)Oc1ccc(C(=O)c2cccc(F)c2)cc1 ZINC000037362264 173151601 /nfs/dbraw/zinc/15/16/01/173151601.db2.gz NZAAVLCRLWVKSW-UHFFFAOYSA-N 0 0 258.292 3.844 10 0 CHAERN C[C@@H]1CCCC[C@H]1Nc1ccc2ncccc2c1N ZINC000037377587 173166467 /nfs/dbraw/zinc/16/64/67/173166467.db2.gz WKFIYRLQTHBOQD-DGCLKSJQSA-N 0 0 255.365 3.808 10 0 CHAERN CCCc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000037409149 173185724 /nfs/dbraw/zinc/18/57/24/173185724.db2.gz XKKTUJRZHPXFCO-UHFFFAOYSA-N 0 0 250.704 3.889 10 0 CHAERN CC[C@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037418536 173196086 /nfs/dbraw/zinc/19/60/86/173196086.db2.gz YAVDXBWYNVFMGE-LBPRGKRZSA-N 0 0 290.190 3.899 10 0 CHAERN CCOC(=O)[C@H](NC(C)C)c1ccc(Cl)c(Cl)c1 ZINC000037446353 173213469 /nfs/dbraw/zinc/21/34/69/173213469.db2.gz JZDVZHROOUWLTC-GFCCVEGCSA-N 0 0 290.190 3.596 10 0 CHAERN COC(=O)c1ccc(C)c(N[C@@H](C)c2ccco2)c1 ZINC000037507995 173242137 /nfs/dbraw/zinc/24/21/37/173242137.db2.gz GSUYFUCGOBRZRI-NSHDSACASA-N 0 0 259.305 3.548 10 0 CHAERN Cc1ccccc1OCc1ccc(N)cc1Br ZINC000037516101 173247693 /nfs/dbraw/zinc/24/76/93/173247693.db2.gz YNRFNPZBSJRUGM-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN C[C@@](O)(Cc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000037530786 173253070 /nfs/dbraw/zinc/25/30/70/173253070.db2.gz FJXFINHBRUGAEL-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN COc1ccccc1[C@@H](O)Cc1cccc(Cl)c1 ZINC000037532049 173253352 /nfs/dbraw/zinc/25/33/52/173253352.db2.gz OLMUILLRKXKTDI-AWEZNQCLSA-N 0 0 262.736 3.625 10 0 CHAERN COc1cccc([C@@](C)(O)Cc2ccccc2Cl)c1 ZINC000037531133 173253375 /nfs/dbraw/zinc/25/33/75/173253375.db2.gz ICVVDHCAGMCBSB-INIZCTEOSA-N 0 0 276.763 3.799 10 0 CHAERN COc1cccc([C@@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532130 173253582 /nfs/dbraw/zinc/25/35/82/173253582.db2.gz ANFBUUGYNOHVJN-HNNXBMFYSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@H](Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037532464 173253848 /nfs/dbraw/zinc/25/38/48/173253848.db2.gz GDRRKJQHSHUCGT-CQSZACIVSA-N 0 0 250.700 3.755 10 0 CHAERN CCCCCC[C@@](C)(Nc1ccc(C)cc1)C(N)=O ZINC000037941553 173881479 /nfs/dbraw/zinc/88/14/79/173881479.db2.gz XPIXITMCNLJAIK-MRXNPFEDSA-N 0 0 262.397 3.621 10 0 CHAERN COC(=O)[C@@H](Nc1cccc(Cl)c1)[C@@H]1CC=CCC1 ZINC000037955713 173897513 /nfs/dbraw/zinc/89/75/13/173897513.db2.gz NWDUEADDCYNSNS-RISCZKNCSA-N 0 0 279.767 3.650 10 0 CHAERN CCOC(=O)[C@](C)(CC(C)C)Nc1cccc(F)c1 ZINC000037962145 173905784 /nfs/dbraw/zinc/90/57/84/173905784.db2.gz CFOFGIDOALOOSC-HNNXBMFYSA-N 0 0 267.344 3.606 10 0 CHAERN CCOC(=O)[C@H](NC1CCCC1)c1c(F)cccc1Cl ZINC000037970827 173921744 /nfs/dbraw/zinc/92/17/44/173921744.db2.gz CRVNXKLBVYWLTR-CQSZACIVSA-N 0 0 299.773 3.616 10 0 CHAERN C[C@@H](Nc1ccc(Cl)nn1)c1cccc(Cl)c1 ZINC000037977855 173934614 /nfs/dbraw/zinc/93/46/14/173934614.db2.gz AUHSHPJBUMECBW-MRVPVSSYSA-N 0 0 268.147 3.957 10 0 CHAERN O=C([O-])C[C@H]1CCCC[N@@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000038027415 174013676 /nfs/dbraw/zinc/01/36/76/174013676.db2.gz KTXPVYSFTMMYQW-QFQXCOSMSA-N 0 0 291.435 3.532 10 0 CHAERN Cc1cc2ncn(-c3c(F)cc(N)cc3F)c2cc1C ZINC000038040234 174040367 /nfs/dbraw/zinc/04/03/67/174040367.db2.gz LUFAQXGPOUSRNO-UHFFFAOYSA-N 0 0 273.286 3.503 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Oc1c(F)cc(N)cc1F ZINC000038040304 174040531 /nfs/dbraw/zinc/04/05/31/174040531.db2.gz WJHPEHZDGPQEKX-ZANVPECISA-N 0 0 255.308 3.895 10 0 CHAERN Nc1cc(F)c(Nc2ccc(OC(F)F)cc2)c(F)c1 ZINC000038040038 174040587 /nfs/dbraw/zinc/04/05/87/174040587.db2.gz AYZVBMJVHXOKCB-UHFFFAOYSA-N 0 0 286.228 3.892 10 0 CHAERN Nc1ccc2c(c1)N(C(=O)CCC1CCCC1)CCS2 ZINC000038051164 174062785 /nfs/dbraw/zinc/06/27/85/174062785.db2.gz YTNCHLSQZFTJOS-UHFFFAOYSA-N 0 0 290.432 3.678 10 0 CHAERN Cc1ccc(C(C)C)cc1Oc1ccc(C(N)=S)cn1 ZINC000038053027 174064910 /nfs/dbraw/zinc/06/49/10/174064910.db2.gz JUFSZDLMJRHHCP-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN Nc1cccc(OCc2ccccc2C(F)(F)F)c1 ZINC000038055230 174066238 /nfs/dbraw/zinc/06/62/38/174066238.db2.gz COCXXBBZPQDFPG-UHFFFAOYSA-N 0 0 267.250 3.867 10 0 CHAERN Nc1ccccc1OCc1ccccc1C(F)(F)F ZINC000038056041 174067115 /nfs/dbraw/zinc/06/71/15/174067115.db2.gz YXLHZUHEOSLMJP-UHFFFAOYSA-N 0 0 267.250 3.867 10 0 CHAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000038066108 174077342 /nfs/dbraw/zinc/07/73/42/174077342.db2.gz NDWYUBFUFIOZFC-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN COc1ccc(-c2ccc(C=O)c(F)c2)cc1Cl ZINC000038071879 174082634 /nfs/dbraw/zinc/08/26/34/174082634.db2.gz QSODFADLRJXJAB-UHFFFAOYSA-N 0 0 264.683 3.967 10 0 CHAERN Cc1cc(C)cc(C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000038077063 174087663 /nfs/dbraw/zinc/08/76/63/174087663.db2.gz JNOQZVJPADQXHL-QGZVFWFLSA-N 0 0 258.336 3.893 10 0 CHAERN CCCOc1ccccc1Oc1nsnc1Cl ZINC000038082186 174091248 /nfs/dbraw/zinc/09/12/48/174091248.db2.gz RUAQSZPKOIDEEP-UHFFFAOYSA-N 0 0 270.741 3.773 10 0 CHAERN Clc1nsnc1Oc1cccc2cccnc21 ZINC000038082370 174091313 /nfs/dbraw/zinc/09/13/13/174091313.db2.gz CQAYKWJBBVVJJQ-UHFFFAOYSA-N 0 0 263.709 3.532 10 0 CHAERN Cc1ncc(N)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000038095023 174108767 /nfs/dbraw/zinc/10/87/67/174108767.db2.gz PKKHWMWHWGLCEC-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Cc1occc1C(=O)Cc1c(F)cccc1Cl ZINC000038125258 174130793 /nfs/dbraw/zinc/13/07/93/174130793.db2.gz XPZTWGLSGWEAKV-UHFFFAOYSA-N 0 0 252.672 3.806 10 0 CHAERN Cc1nn2c(nc(C)cc2Cl)c1-c1ccccc1F ZINC000038478136 174142146 /nfs/dbraw/zinc/14/21/46/174142146.db2.gz QPTAFXWCKZNFKD-UHFFFAOYSA-N 0 0 275.714 3.806 10 0 CHAERN Nc1cc(-c2ccccc2F)nc2ccc(F)cc12 ZINC000039043409 174162110 /nfs/dbraw/zinc/16/21/10/174162110.db2.gz CRSIMZKQQZEMBT-UHFFFAOYSA-N 0 0 256.255 3.762 10 0 CHAERN Clc1cc2[nH]c(Br)nc2c(Cl)c1 ZINC000039153364 174164505 /nfs/dbraw/zinc/16/45/05/174164505.db2.gz QNGCATRZCQIDLA-UHFFFAOYSA-N 0 0 265.925 3.632 10 0 CHAERN COC(=O)C(=O)[C@@H](C)c1ccc(C2CCCCC2)cc1 ZINC000039193581 174165071 /nfs/dbraw/zinc/16/50/71/174165071.db2.gz JUDQQACKEFFYIQ-LBPRGKRZSA-N 0 0 274.360 3.580 10 0 CHAERN O=C(c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000039204288 174165405 /nfs/dbraw/zinc/16/54/05/174165405.db2.gz OHPVWFWLSJHCPZ-UHFFFAOYSA-N 0 0 267.111 3.930 10 0 CHAERN OCc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000039927614 174174978 /nfs/dbraw/zinc/17/49/78/174174978.db2.gz XQZHYDQFLRPEIY-UHFFFAOYSA-N 0 0 254.116 3.548 10 0 CHAERN CC[C@@H](O)c1cc(Cl)cc(Br)c1OC ZINC000040241917 174213607 /nfs/dbraw/zinc/21/36/07/174213607.db2.gz OEWUJQBWDHDLSX-SECBINFHSA-N 0 0 279.561 3.555 10 0 CHAERN COc1ccc(C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000040243882 174214343 /nfs/dbraw/zinc/21/43/43/174214343.db2.gz DHAWAOGGIFIYHM-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN COc1ccc(CC[C@H](O)c2ccc(C)cc2)cc1 ZINC000040244310 174214398 /nfs/dbraw/zinc/21/43/98/174214398.db2.gz WSRJYAGYAHRQLQ-KRWDZBQOSA-N 0 0 256.345 3.670 10 0 CHAERN O[C@H](c1cccs1)c1cc(Br)ccc1F ZINC000040247614 174215092 /nfs/dbraw/zinc/21/50/92/174215092.db2.gz ZENSFSRYSCOPPG-NSHDSACASA-N 0 0 287.153 3.731 10 0 CHAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040249379 174215435 /nfs/dbraw/zinc/21/54/35/174215435.db2.gz UUZKNEVQTLCZIC-UHFFFAOYSA-N 0 0 294.354 3.575 10 0 CHAERN O=C1CCCc2cc([C@@H](O)C3CCCCC3)ccc2N1 ZINC000040261234 174216976 /nfs/dbraw/zinc/21/69/76/174216976.db2.gz XXSKDBSOBVWXQY-KRWDZBQOSA-N 0 0 273.376 3.575 10 0 CHAERN Cc1ccc(Cn2c3cc(C)c(C)cc3nc2CCO)cc1 ZINC000040310678 174230155 /nfs/dbraw/zinc/23/01/55/174230155.db2.gz JXPXXCUGRWUBBM-UHFFFAOYSA-N 0 0 294.398 3.545 10 0 CHAERN Cc1nc2cc(C(=O)Nc3ccccc3Cl)ccc2[nH]1 ZINC000040311876 174230952 /nfs/dbraw/zinc/23/09/52/174230952.db2.gz VAHDVHDKJITGHM-UHFFFAOYSA-N 0 0 285.734 3.777 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccc(C)cc2N)c(C)c1 ZINC000040354392 174245517 /nfs/dbraw/zinc/24/55/17/174245517.db2.gz GWGHWXUKPJVDPV-CQSZACIVSA-N 0 0 283.371 3.844 10 0 CHAERN CC(C)Nc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687732 174375873 /nfs/dbraw/zinc/37/58/73/174375873.db2.gz GOYNGUUSNHEESR-UHFFFAOYSA-N 0 0 294.358 3.825 10 0 CHAERN Cc1c(Cl)cccc1Nc1ncnc(NC(C)C)c1N ZINC000040701488 174379047 /nfs/dbraw/zinc/37/90/47/174379047.db2.gz PSRRYBZETKOOQL-UHFFFAOYSA-N 0 0 291.786 3.585 10 0 CHAERN Nc1c(Nc2ccccc2)ncnc1NC1CCCCC1 ZINC000040708567 174380232 /nfs/dbraw/zinc/38/02/32/174380232.db2.gz YZTHGBHSGYSGBA-UHFFFAOYSA-N 0 0 283.379 3.547 10 0 CHAERN Cc1ccc(Oc2ncnc(NC3CCCC3)c2N)cc1 ZINC000040796295 174407859 /nfs/dbraw/zinc/40/78/59/174407859.db2.gz QJBABHNVWPUBDR-UHFFFAOYSA-N 0 0 284.363 3.514 10 0 CHAERN CC(C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000040898319 174429220 /nfs/dbraw/zinc/42/92/20/174429220.db2.gz JEZZDUPPKHFTTL-UHFFFAOYSA-N 0 0 288.372 3.530 10 0 CHAERN Cc1ccc([C@H](O)CCN(C)c2ccccc2)cc1 ZINC000041144795 174496011 /nfs/dbraw/zinc/49/60/11/174496011.db2.gz VHXPPACUTKLOHI-QGZVFWFLSA-N 0 0 255.361 3.555 10 0 CHAERN COc1ccc(C)cc1COc1ccc(C)cc1[C@H](C)O ZINC000041462837 174555818 /nfs/dbraw/zinc/55/58/18/174555818.db2.gz GBBJYRLFMCGYMU-AWEZNQCLSA-N 0 0 286.371 3.944 10 0 CHAERN CCc1nc2cc(Cl)cc(Br)c2o1 ZINC000041569178 174568483 /nfs/dbraw/zinc/56/84/83/174568483.db2.gz GJRNXFPEEZKOPX-UHFFFAOYSA-N 0 0 260.518 3.806 10 0 CHAERN COc1cc(N)c(Cl)cc1C(=O)OC1CCC(C)CC1 ZINC000041580697 174571166 /nfs/dbraw/zinc/57/11/66/174571166.db2.gz NYFLHEINQYXDSS-UHFFFAOYSA-N 0 0 297.782 3.666 10 0 CHAERN C[C@@H](Cc1ccco1)Nc1ccc(Br)cc1N ZINC000042586907 174809158 /nfs/dbraw/zinc/80/91/58/174809158.db2.gz FIEDIFIVBOEAJW-VIFPVBQESA-N 0 0 295.180 3.667 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2N)s1 ZINC000042599499 174815598 /nfs/dbraw/zinc/81/55/98/174815598.db2.gz OHNKOLKMXWZZFI-SECBINFHSA-N 0 0 250.342 3.951 10 0 CHAERN CC(=O)c1ccccc1N(Cc1ccco1)C1CC1 ZINC000042693041 174841261 /nfs/dbraw/zinc/84/12/61/174841261.db2.gz RZZAFLIHWXWLCX-UHFFFAOYSA-N 0 0 255.317 3.651 10 0 CHAERN CC(C)N(CC(F)(F)F)[C@@H](C)c1cccc(N)c1 ZINC000042739285 174861210 /nfs/dbraw/zinc/86/12/10/174861210.db2.gz YKURLOYQBDRSMO-JTQLQIEISA-N 0 0 260.303 3.603 10 0 CHAERN Clc1ccc2nnc(-c3csc4ccccc34)n2n1 ZINC000042891720 174902513 /nfs/dbraw/zinc/90/25/13/174902513.db2.gz JDKZMDKISFXZQV-UHFFFAOYSA-N 0 0 286.747 3.659 10 0 CHAERN O[C@@H]1c2ccccc2C[C@H]1CCCc1ccccc1 ZINC000043659377 175085861 /nfs/dbraw/zinc/08/58/61/175085861.db2.gz DNGBDWCAKAQUEU-AEFFLSMTSA-N 0 0 252.357 3.915 10 0 CHAERN Cc1c(N)cccc1OCc1sccc1Br ZINC000043674198 175087918 /nfs/dbraw/zinc/08/79/18/175087918.db2.gz MRYWYTAIIIDCGL-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Brc1ccc(COCCc2ccccn2)s1 ZINC000043679116 175089620 /nfs/dbraw/zinc/08/96/20/175089620.db2.gz NZNPNTRBAAKSTD-UHFFFAOYSA-N 0 0 298.205 3.665 10 0 CHAERN Brc1csc(COCCc2ccccn2)c1 ZINC000043687495 175094976 /nfs/dbraw/zinc/09/49/76/175094976.db2.gz ZUSQFDDQJSGYOK-UHFFFAOYSA-N 0 0 298.205 3.665 10 0 CHAERN CCCc1ccc([C@@H](O)CN2CCc3ccccc32)cc1 ZINC000044113610 175141197 /nfs/dbraw/zinc/14/11/97/175141197.db2.gz IJDXKIUDLHMTEH-IBGZPJMESA-N 0 0 281.399 3.735 10 0 CHAERN Fc1ccc(-c2cccc(Br)n2)cc1 ZINC000044120191 175142563 /nfs/dbraw/zinc/14/25/63/175142563.db2.gz KRTLRWUUJJJVCJ-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN Fc1ccccc1-c1cccc(Br)n1 ZINC000044120297 175142566 /nfs/dbraw/zinc/14/25/66/175142566.db2.gz TVNVLHBRAKXPTE-UHFFFAOYSA-N 0 0 252.086 3.650 10 0 CHAERN CN(CC(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000045084599 175303722 /nfs/dbraw/zinc/30/37/22/175303722.db2.gz PAIUQTHVBIEAME-UHFFFAOYSA-N 0 0 259.802 3.562 10 0 CHAERN Cc1ccc([C@H]2CC(=O)c3ccc(F)cc3O2)cc1 ZINC000045357445 175362090 /nfs/dbraw/zinc/36/20/90/175362090.db2.gz QNQXLNDULBVXEX-OAHLLOKOSA-N 0 0 256.276 3.841 10 0 in-vivo CHAERN CNc1nc(Cc2ccccc2)nc2sc3c(c21)CCC3 ZINC000050841827 175519134 /nfs/dbraw/zinc/51/91/34/175519134.db2.gz QKUFQFZAQJLLSP-UHFFFAOYSA-N 0 0 295.411 3.813 10 0 CHAERN Cc1ccccc1COc1ccc([C@H](C)O)cc1F ZINC000058823249 175628560 /nfs/dbraw/zinc/62/85/60/175628560.db2.gz YSYIHCLSXSPXTQ-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN CC(=O)Nc1ccc(Sc2cccc(Cl)n2)cc1 ZINC000070154318 175875598 /nfs/dbraw/zinc/87/55/98/175875598.db2.gz NXDKPOFCOYFMIS-UHFFFAOYSA-N 0 0 278.764 3.845 10 0 CHAERN CCOC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000070263814 175885237 /nfs/dbraw/zinc/88/52/37/175885237.db2.gz DFVODUBHJPCXQT-GFCCVEGCSA-N 0 0 298.180 3.743 10 0 CHAERN Cc1c(C)c(Oc2ccc(F)cc2)nnc1Cl ZINC000071170773 176051544 /nfs/dbraw/zinc/05/15/44/176051544.db2.gz BOVMFTPIGKKPKH-UHFFFAOYSA-N 0 0 252.676 3.678 10 0 CHAERN Cc1ccc(F)c(Nc2nnc(Cl)c(C)c2C)c1 ZINC000071171000 176051615 /nfs/dbraw/zinc/05/16/15/176051615.db2.gz VEBWJRRXFXBJAT-UHFFFAOYSA-N 0 0 265.719 3.938 10 0 CHAERN Cc1ccccc1Cn1[nH]c(C(C)(C)C)cc1=S ZINC000071187457 176060584 /nfs/dbraw/zinc/06/05/84/176060584.db2.gz PUZVLFAXJKPQIU-UHFFFAOYSA-N 0 0 260.406 3.826 10 0 CHAERN Cc1cc(F)ccc1N1Cc2ccc(F)cc2C1=N ZINC000071268598 176102497 /nfs/dbraw/zinc/10/24/97/176102497.db2.gz APLSDEHCMJTRIE-UHFFFAOYSA-N 0 0 258.271 3.619 10 0 CHAERN C[C@H](Cc1cccs1)n1ccc2c1CCC[C@@H]2O ZINC000071271787 176104579 /nfs/dbraw/zinc/10/45/79/176104579.db2.gz UUIBLRHUESTJPO-ABAIWWIYSA-N 0 0 261.390 3.723 10 0 CHAERN Cc1cc(C2CCCC2)nc(-c2cccc(N)c2)n1 ZINC000071397954 176151710 /nfs/dbraw/zinc/15/17/10/176151710.db2.gz PDCJKUYKLXSZGZ-UHFFFAOYSA-N 0 0 253.349 3.692 10 0 CHAERN Cc1ccncc1N[C@H](C)CCc1ccc(O)cc1 ZINC000071413435 176158643 /nfs/dbraw/zinc/15/86/43/176158643.db2.gz NESGPJSDGIWWIE-CYBMUJFWSA-N 0 0 256.349 3.529 10 0 CHAERN COc1ccc(C(=O)c2ccc(N)cc2)c2ccccc12 ZINC000071451015 176175481 /nfs/dbraw/zinc/17/54/81/176175481.db2.gz QMMDJBZSZDSLGE-UHFFFAOYSA-N 0 0 277.323 3.662 10 0 CHAERN COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1F ZINC000071612479 176232775 /nfs/dbraw/zinc/23/27/75/176232775.db2.gz IESHZJMMWRQXFT-UHFFFAOYSA-N 0 0 273.094 3.598 10 0 CHAERN COc1ccc(-c2nc3ccc(N)cc3s2)cc1OC ZINC000071642994 176239789 /nfs/dbraw/zinc/23/97/89/176239789.db2.gz TZTFUACUUAYVEW-UHFFFAOYSA-N 0 0 286.356 3.563 10 0 CHAERN Clc1cc(-c2ccc3c(c2)OCCCO3)nc(Cl)n1 ZINC000071651746 176241428 /nfs/dbraw/zinc/24/14/28/176241428.db2.gz HXFYLAPYBXDTSS-UHFFFAOYSA-N 0 0 297.141 3.612 10 0 CHAERN Fc1ccc(-c2cncc(Br)c2)cc1F ZINC000072192739 176336882 /nfs/dbraw/zinc/33/68/82/176336882.db2.gz FNQCFFZSPYVCJG-UHFFFAOYSA-N 0 0 270.076 3.789 10 0 CHAERN Fc1cccc(-c2ncsc2Br)c1 ZINC000072192149 176336884 /nfs/dbraw/zinc/33/68/84/176336884.db2.gz BNYPHECTKQELRN-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN COc1ccc(Nc2nccc(/C=C/c3ccco3)n2)cc1 ZINC000072443709 176403836 /nfs/dbraw/zinc/40/38/36/176403836.db2.gz ZFXSCJHWQKQTCZ-RMKNXTFCSA-N 0 0 293.326 3.992 10 0 CHAERN Nc1nc2cc(C(F)(F)F)ccc2n1-c1ccccc1 ZINC000075947513 176839332 /nfs/dbraw/zinc/83/93/32/176839332.db2.gz SKPBFUNDXMGIFS-UHFFFAOYSA-N 0 0 277.249 3.627 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(Cl)c(Cl)cc1N ZINC000076859401 177122981 /nfs/dbraw/zinc/12/29/81/177122981.db2.gz YXOAVPVMMQLKMV-UHFFFAOYSA-N 0 0 277.151 3.923 10 0 CHAERN Cc1oc(C)c(-c2n[nH]c(=S)n2CC(C)C)c1C ZINC000077088692 177212378 /nfs/dbraw/zinc/21/23/78/177212378.db2.gz DTBYFGAOIFHCBV-UHFFFAOYSA-N 0 0 265.382 3.782 10 0 CHAERN CC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCCO2 ZINC000077252088 177239359 /nfs/dbraw/zinc/23/93/59/177239359.db2.gz RDXLFHBDHKCLFZ-UHFFFAOYSA-N 0 0 281.355 3.678 10 0 CHAERN Clc1ccc(NC2CCN(c3ccccn3)CC2)cc1 ZINC000037202775 260073998 /nfs/dbraw/zinc/07/39/98/260073998.db2.gz PBSLUARIKAQWNV-UHFFFAOYSA-N 0 0 287.794 3.816 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2CC3(CC3)C2)c1C ZINC000334698445 225277644 /nfs/dbraw/zinc/27/76/44/225277644.db2.gz SDWQFJSQCQYRRG-UHFFFAOYSA-N 0 0 264.756 3.585 10 0 CHAERN FC1(F)CCC[C@H](c2nc([C@H]3CC34CC4)no2)C1 ZINC000334978177 225382202 /nfs/dbraw/zinc/38/22/02/225382202.db2.gz ZBGHTRCJHMYZNH-DTWKUNHWSA-N 0 0 254.280 3.630 10 0 CHAERN Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H]32)c(Cl)cc1F ZINC000335003943 225392534 /nfs/dbraw/zinc/39/25/34/225392534.db2.gz HMCYILSBZZTHEH-RNCFNFMXSA-N 0 0 282.746 3.804 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCCc3ccccc3C2)o1 ZINC000171701616 335075235 /nfs/dbraw/zinc/07/52/35/335075235.db2.gz IYPUQVZRTSXQIG-AWEZNQCLSA-N 0 0 298.386 3.807 10 0 CHAERN O=C(NCCC1CCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171738696 335076655 /nfs/dbraw/zinc/07/66/55/335076655.db2.gz HTYONANMAJGVRC-KGLIPLIRSA-N 0 0 293.357 3.765 10 0 CHAERN FC(F)(F)c1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000301553990 227583514 /nfs/dbraw/zinc/58/35/14/227583514.db2.gz GVAXEIVQKUWRLZ-CMPLNLGQSA-N 0 0 270.298 3.869 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000336184058 228208393 /nfs/dbraw/zinc/20/83/93/228208393.db2.gz ZZXJEUCWRAUQNU-GXFFZTMASA-N 0 0 264.756 3.665 10 0 CHAERN Cc1nc(C(C)C)oc1CSc1nncn1C(C)C ZINC000333703002 228210933 /nfs/dbraw/zinc/21/09/33/228210933.db2.gz OLJMWKZTKCASON-UHFFFAOYSA-N 0 0 280.397 3.571 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000336149119 228197728 /nfs/dbraw/zinc/19/77/28/228197728.db2.gz BSHYAFSJIWJCNO-GHMZBOCLSA-N 0 0 296.798 3.598 10 0 CHAERN C[C@H]1C[C@H](c2noc([C@@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)C[C@@H](C)C1 ZINC000333468775 228201450 /nfs/dbraw/zinc/20/14/50/228201450.db2.gz ANUWAUILYZBOCJ-XADZXUCXSA-N 0 0 288.391 3.692 10 0 CHAERN COCc1ccccc1N[C@H](C)CCc1ccco1 ZINC000036939142 260054051 /nfs/dbraw/zinc/05/40/51/260054051.db2.gz WLGVGNJLGAUGPL-CYBMUJFWSA-N 0 0 259.349 3.859 10 0 CHAERN CCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)c1cccnc1 ZINC000180112896 260093864 /nfs/dbraw/zinc/09/38/64/260093864.db2.gz MRMZQCMOJWTNSR-KGLIPLIRSA-N 0 0 274.408 3.897 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)CCC2CCOCC2)CC(C)(C)C1 ZINC000180431270 260101776 /nfs/dbraw/zinc/10/17/76/260101776.db2.gz NAYQKQNQKAKQHI-GOEBONIOSA-N 0 0 295.467 3.724 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N(C)CCC2CCOCC2)CC(C)(C)C1 ZINC000180431220 260101905 /nfs/dbraw/zinc/10/19/05/260101905.db2.gz NAYQKQNQKAKQHI-ZBFHGGJFSA-N 0 0 295.467 3.724 10 0 CHAERN CCN(Cc1cccc(Cl)c1)C(=O)c1ccccc1N ZINC000037839670 260118918 /nfs/dbraw/zinc/11/89/18/260118918.db2.gz RVFOYJGCYHIJMT-UHFFFAOYSA-N 0 0 288.778 3.585 10 0 CHAERN CC(C)c1nsc(N[C@@H]2CCOc3ccccc32)n1 ZINC000087641658 260216004 /nfs/dbraw/zinc/21/60/04/260216004.db2.gz BLBZTHDQMJOLPV-LLVKDONJSA-N 0 0 275.377 3.597 10 0 CHAERN CCc1nc2cc(NCc3cccn3CC)ccc2o1 ZINC000091025732 260265115 /nfs/dbraw/zinc/26/51/15/260265115.db2.gz BCIBKOPZBDZJBW-UHFFFAOYSA-N 0 0 269.348 3.824 10 0 CHAERN CCn1cccc1CN[C@@H](C)c1c(F)cccc1F ZINC000091025512 260265247 /nfs/dbraw/zinc/26/52/47/260265247.db2.gz VDUQLWMOLUAQNE-NSHDSACASA-N 0 0 264.319 3.637 10 0 CHAERN CCn1cccc1CNc1ccc(NC(=O)C(C)C)cc1 ZINC000091023762 260265295 /nfs/dbraw/zinc/26/52/95/260265295.db2.gz ZMINDCFPVWNLIZ-UHFFFAOYSA-N 0 0 285.391 3.715 10 0 CHAERN COc1ccc([C@H](C)Nc2cccnc2C)c(OC)c1 ZINC000091495924 260266226 /nfs/dbraw/zinc/26/62/26/260266226.db2.gz AGVNGILPZFQXLG-NSHDSACASA-N 0 0 272.348 3.580 10 0 CHAERN Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000408161706 260334678 /nfs/dbraw/zinc/33/46/78/260334678.db2.gz PAPWFJKVIBLNKM-DRZSPHRISA-N 0 0 278.396 3.623 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)C1CCCCCC1 ZINC000126622497 260354761 /nfs/dbraw/zinc/35/47/61/260354761.db2.gz AUYHBFOTUATDPI-UHFFFAOYSA-N 0 0 272.392 3.518 10 0 CHAERN Cc1nccc(CN[C@@H]2CCCc3sc(Cl)cc32)n1 ZINC000128024825 260371678 /nfs/dbraw/zinc/37/16/78/260371678.db2.gz XEMYTKPLQAQYLK-GFCCVEGCSA-N 0 0 293.823 3.667 10 0 CHAERN Cc1cc2c(N[C@@H](C)c3ccc(C)c(F)c3)nccn2n1 ZINC000129598247 260387831 /nfs/dbraw/zinc/38/78/31/260387831.db2.gz GZTKCAIARXVBSA-LBPRGKRZSA-N 0 0 284.338 3.658 10 0 CHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)C2CC2)cc1 ZINC000172561169 260580565 /nfs/dbraw/zinc/58/05/65/260580565.db2.gz HNRLNSBZYFTZMG-ZLIFDBKOSA-N 0 0 271.404 3.828 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCCCOC)o1 ZINC000128276763 260813357 /nfs/dbraw/zinc/81/33/57/260813357.db2.gz VWEWVQGMGNFMKL-HNNXBMFYSA-N 0 0 293.407 3.712 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)C2CCC(F)(F)CC2)o1 ZINC000153139160 261074212 /nfs/dbraw/zinc/07/42/12/261074212.db2.gz PQDRNYGBAUOZAI-JTQLQIEISA-N 0 0 271.307 3.591 10 0 CHAERN Cc1ccncc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000154510214 261092165 /nfs/dbraw/zinc/09/21/65/261092165.db2.gz CURWZYQVMFFFTH-ZIAGYGMSSA-N 0 0 258.365 3.545 10 0 CHAERN Cc1ccncc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000154510329 261092362 /nfs/dbraw/zinc/09/23/62/261092362.db2.gz CURWZYQVMFFFTH-KGLIPLIRSA-N 0 0 258.365 3.545 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@H]2c3ccccc3CCC2(C)C)o1 ZINC000156539058 261125712 /nfs/dbraw/zinc/12/57/12/261125712.db2.gz FZDSZHCXJMGKEB-INIZCTEOSA-N 0 0 298.386 3.735 10 0 CHAERN CC1=C(C(=O)N[C@@H](C)c2cccc(Cl)c2)CCCO1 ZINC000159157360 261179569 /nfs/dbraw/zinc/17/95/69/261179569.db2.gz ZWKPHCXCNKSSJB-JTQLQIEISA-N 0 0 279.767 3.602 10 0 CHAERN Cc1cnc(CN[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000175489496 261231222 /nfs/dbraw/zinc/23/12/22/261231222.db2.gz XHFXKUYVRXQOKS-CYBMUJFWSA-N 0 0 258.365 3.957 10 0 CHAERN O=C(Nc1ccc(F)cn1)c1cc2cc(Cl)ccc2o1 ZINC000103015014 261273328 /nfs/dbraw/zinc/27/33/28/261273328.db2.gz CMEFFBMKJSAGLC-UHFFFAOYSA-N 0 0 290.681 3.873 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000103387049 261281305 /nfs/dbraw/zinc/28/13/05/261281305.db2.gz LIERPBOBQVIEIT-CYBMUJFWSA-N 0 0 288.391 3.518 10 0 CHAERN CCSc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000103516521 261282238 /nfs/dbraw/zinc/28/22/38/261282238.db2.gz LEMGZPPTGDAHTK-COPLHBTASA-N 0 0 278.421 3.567 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000176650903 261303325 /nfs/dbraw/zinc/30/33/25/261303325.db2.gz SITOWLYMDSKXAV-VCTAVGKDSA-N 0 0 277.795 3.906 10 0 CHAERN CCC(=O)c1ccc(OCc2nc(-c3ccoc3)no2)cc1 ZINC000105571870 261312664 /nfs/dbraw/zinc/31/26/64/261312664.db2.gz VIENOUWEYFLRFD-UHFFFAOYSA-N 0 0 298.298 3.501 10 0 CHAERN Cc1cccc(NCc2nc(-c3ccoc3)no2)c1C ZINC000105606131 261313236 /nfs/dbraw/zinc/31/32/36/261313236.db2.gz NEXFUTSZQLTMLF-UHFFFAOYSA-N 0 0 269.304 3.559 10 0 CHAERN CCc1ccc(NCc2nc(-c3ccoc3)no2)cc1 ZINC000105606453 261313357 /nfs/dbraw/zinc/31/33/57/261313357.db2.gz IHVLBHBBORQTAP-UHFFFAOYSA-N 0 0 269.304 3.504 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1nccs1 ZINC000106279044 261324916 /nfs/dbraw/zinc/32/49/16/261324916.db2.gz AQZSJAYECNQZOE-YPMHNXCESA-N 0 0 293.436 3.568 10 0 CHAERN CC(C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000177390692 261353260 /nfs/dbraw/zinc/35/32/60/261353260.db2.gz NQEQVKSFZXMPAH-QWHCGFSZSA-N 0 0 293.357 3.621 10 0 CHAERN CS[C@H]1CC[C@H](Nc2ccc(OC(F)(F)F)cn2)C1 ZINC000302526104 261353289 /nfs/dbraw/zinc/35/32/89/261353289.db2.gz BLZVFNROBRFKFV-WPRPVWTQSA-N 0 0 292.326 3.676 10 0 CHAERN CCCCc1ccc([C@H](C)N[C@@H]2CCCn3ncnc32)cc1 ZINC000164653803 261356711 /nfs/dbraw/zinc/35/67/11/261356711.db2.gz VLMZENDYCPKEMH-WMLDXEAASA-N 0 0 298.434 3.806 10 0 CHAERN COc1ccc(Cl)c(N[C@@H](C)c2cncs2)c1 ZINC000165766191 261376463 /nfs/dbraw/zinc/37/64/63/261376463.db2.gz QGCYXTYZVICPPR-QMMMGPOBSA-N 0 0 268.769 3.978 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178294744 261384064 /nfs/dbraw/zinc/38/40/64/261384064.db2.gz NRKVUMPCFHFKGO-YYIAUSFCSA-N 0 0 275.436 3.851 10 0 CHAERN CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000172667232 261507274 /nfs/dbraw/zinc/50/72/74/261507274.db2.gz WVPQZQAIEQYZBR-WEKMIXOTSA-N 0 0 261.365 3.998 10 0 CHAERN CCCCCC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173944730 261551224 /nfs/dbraw/zinc/55/12/24/261551224.db2.gz LSIGBRJGVTWSFM-CQSZACIVSA-N 0 0 285.391 3.630 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175163308 261597280 /nfs/dbraw/zinc/59/72/80/261597280.db2.gz NRTSXDRMKYEPKR-LBPRGKRZSA-N 0 0 274.364 3.619 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000175163289 261597438 /nfs/dbraw/zinc/59/74/38/261597438.db2.gz NRTSXDRMKYEPKR-GFCCVEGCSA-N 0 0 274.364 3.619 10 0 CHAERN O=C(NC1CCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000176365534 261650712 /nfs/dbraw/zinc/65/07/12/261650712.db2.gz KBOZWWMCYPTAKM-ZDUSSCGKSA-N 0 0 293.436 3.712 10 0 CHAERN CC(C(=O)N[C@H]1CCOc2ccccc21)=C1CCCC1 ZINC000176508079 261655964 /nfs/dbraw/zinc/65/59/64/261655964.db2.gz RAKZMBYTSVXXDC-HNNXBMFYSA-N 0 0 271.360 3.517 10 0 CHAERN CC/C=C(\C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000178042728 261723877 /nfs/dbraw/zinc/72/38/77/261723877.db2.gz YABBRMHIVKWZPZ-BCNIOPEESA-N 0 0 273.376 3.761 10 0 CHAERN CC1(C)[C@H](Nc2ccsc2Cl)[C@@H]2CCO[C@H]21 ZINC000309377316 261879693 /nfs/dbraw/zinc/87/96/93/261879693.db2.gz CVAMPHVVUJOGRT-FXBDTBDDSA-N 0 0 257.786 3.627 10 0 CHAERN CCOCCN(C)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000181086227 261884325 /nfs/dbraw/zinc/88/43/25/261884325.db2.gz FNTDUDNIAZUBFY-CQSZACIVSA-N 0 0 292.423 3.549 10 0 CHAERN CCCCc1nc(CN[C@H](C)c2ccc(F)c(F)c2)no1 ZINC000181633095 261905340 /nfs/dbraw/zinc/90/53/40/261905340.db2.gz FKNTWJXYRKTFPI-SNVBAGLBSA-N 0 0 295.333 3.541 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)COC(C)(C)C)o1 ZINC000182994085 261959217 /nfs/dbraw/zinc/95/92/17/261959217.db2.gz HRULPSVQBULAQL-CQSZACIVSA-N 0 0 293.407 3.711 10 0 CHAERN COCCC[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000182993411 261959313 /nfs/dbraw/zinc/95/93/13/261959313.db2.gz AZHGOIQWQVLUHN-ZFWWWQNUSA-N 0 0 293.407 3.704 10 0 CHAERN CCC[C@@H](N[C@@H](C)c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000184495227 262021213 /nfs/dbraw/zinc/02/12/13/262021213.db2.gz BPTOLRCSBYEUCS-DZGCQCFKSA-N 0 0 292.423 3.551 10 0 CHAERN Clc1ccc2c(c1)N[C@H]1SC=C3C=CC=C[C@@H]3N21 ZINC000498049472 262218358 /nfs/dbraw/zinc/21/83/58/262218358.db2.gz WCIGKVLMDLDGSI-GXTWGEPZSA-N 0 0 274.776 3.981 10 0 CHAERN O=C(Nc1cc(F)ccc1F)c1ccc2cc[nH]c2c1 ZINC000059003392 262386176 /nfs/dbraw/zinc/38/61/76/262386176.db2.gz GTEAEJOKRHJQPJ-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN Cc1ccc(F)cc1CSCc1nnc(C2CC2)n1C ZINC000187510463 263261285 /nfs/dbraw/zinc/26/12/85/263261285.db2.gz AVXIAPYKUURSED-UHFFFAOYSA-N 0 0 291.395 3.573 10 0 CHAERN CCC(CC)N(C)c1cc(Cl)nc(C2CC2)n1 ZINC000126499375 264220845 /nfs/dbraw/zinc/22/08/45/264220845.db2.gz BRZJTNNMAYTINK-UHFFFAOYSA-N 0 0 253.777 3.632 10 0 CHAERN Cc1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)co1 ZINC000188972885 264260968 /nfs/dbraw/zinc/26/09/68/264260968.db2.gz OIXOAOHIQHQRJN-OAHLLOKOSA-N 0 0 273.307 3.535 10 0 CHAERN CC[C@H](Nc1ncncc1Cl)c1cccs1 ZINC000163600547 264361807 /nfs/dbraw/zinc/36/18/07/264361807.db2.gz IGQVQDHDKWZVRG-VIFPVBQESA-N 0 0 253.758 3.755 10 0 CHAERN CC(C)n1cccc1C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190244086 264396918 /nfs/dbraw/zinc/39/69/18/264396918.db2.gz LFXMMWXKPAFJGK-OAHLLOKOSA-N 0 0 298.386 3.582 10 0 CHAERN CCc1nsc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000301519868 265982166 /nfs/dbraw/zinc/98/21/66/265982166.db2.gz HKHREILSOSQXCL-YUMQZZPRSA-N 0 0 279.331 3.634 10 0 CHAERN O=C(/C=C/c1cccs1)N1CCC[C@H]1c1ccco1 ZINC000116043843 267121224 /nfs/dbraw/zinc/12/12/24/267121224.db2.gz ZPHWYTRLQHNOCB-GWJCSSMESA-N 0 0 273.357 3.718 10 0 CHAERN O=C(c1cc2c(s1)CCC2)N1CCC[C@@H]1c1ccco1 ZINC000116043746 267121278 /nfs/dbraw/zinc/12/12/78/267121278.db2.gz PQLFXYJRTJDSIK-GFCCVEGCSA-N 0 0 287.384 3.807 10 0 CHAERN O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000116046962 267121302 /nfs/dbraw/zinc/12/13/02/267121302.db2.gz BQIOBXZQYWAFAI-NKSUMMKUSA-N 0 0 267.328 3.657 10 0 CHAERN O=C(Nc1ccccc1F)N1CCC[C@H]1c1ccco1 ZINC000116405985 267152014 /nfs/dbraw/zinc/15/20/14/267152014.db2.gz FFBXIWYRNZRGDI-ZDUSSCGKSA-N 0 0 274.295 3.788 10 0 CHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000117252451 267207420 /nfs/dbraw/zinc/20/74/20/267207420.db2.gz UUFCQDHBOLHDMR-ZBFHGGJFSA-N 0 0 291.439 3.690 10 0 CHAERN CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117566789 267216001 /nfs/dbraw/zinc/21/60/01/267216001.db2.gz FFWQOUIRZFBOAV-SJKOYZFVSA-N 0 0 297.354 3.589 10 0 CHAERN O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CCCCC[C@@H]21 ZINC000370241677 267302566 /nfs/dbraw/zinc/30/25/66/267302566.db2.gz GEDKCZRVIASLFS-CJNGLKHVSA-N 0 0 268.360 3.573 10 0 CHAERN O=C(c1cc(F)c(F)c(F)c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000370241784 267302606 /nfs/dbraw/zinc/30/26/06/267302606.db2.gz DMWMHOUTVCHJNE-TVQRCGJNSA-N 0 0 283.293 3.509 10 0 CHAERN CCCN(C(=O)N[C@H]1CCCc2cc(F)ccc21)C1CC1 ZINC000119190463 267305984 /nfs/dbraw/zinc/30/59/84/267305984.db2.gz XXLMNYTYJISCIB-INIZCTEOSA-N 0 0 290.382 3.787 10 0 CHAERN C[C@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1(Cl)Cl ZINC000121673276 267705386 /nfs/dbraw/zinc/70/53/86/267705386.db2.gz BTLBVQUUWCMLJT-TZMCWYRMSA-N 0 0 298.213 3.586 10 0 CHAERN CCCn1ccc(CNc2cncc(Br)c2)c1 ZINC000305814934 268001115 /nfs/dbraw/zinc/00/11/15/268001115.db2.gz TXWBWRCOECMOJC-UHFFFAOYSA-N 0 0 294.196 3.668 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000171961576 335086830 /nfs/dbraw/zinc/08/68/30/335086830.db2.gz ITHDYAVSIMAIBG-DCAQKATOSA-N 0 0 265.319 3.516 10 0 CHAERN Cc1c2ccccc2oc1[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000164682736 327723168 /nfs/dbraw/zinc/72/31/68/327723168.db2.gz ZMIDXXFFDYPZRS-JSGCOSHPSA-N 0 0 296.374 3.518 10 0 CHAERN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000185421678 327839911 /nfs/dbraw/zinc/83/99/11/327839911.db2.gz PYVLNJKHQJTXJW-HUUCEWRRSA-N 0 0 299.418 3.732 10 0 CHAERN COCCSCc1ncc(-c2ccccc2Cl)o1 ZINC000173767069 329151957 /nfs/dbraw/zinc/15/19/57/329151957.db2.gz YYAAGSYZKTUDSZ-UHFFFAOYSA-N 0 0 283.780 3.875 10 0 CHAERN CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368068 328355739 /nfs/dbraw/zinc/35/57/39/328355739.db2.gz IZTBZNZNHWEKDS-QWHCGFSZSA-N 0 0 277.408 3.586 10 0 CHAERN CCC(C)(CC)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000112827005 328449158 /nfs/dbraw/zinc/44/91/58/328449158.db2.gz MADMFXUBCISCPR-NWDGAFQWSA-N 0 0 281.346 3.763 10 0 CHAERN CC(C)COc1cccc(NCC2CCOCC2)c1 ZINC000052178499 328640378 /nfs/dbraw/zinc/64/03/78/328640378.db2.gz TYYGXMMEYKSCEB-UHFFFAOYSA-N 0 0 263.381 3.560 10 0 CHAERN Cc1ccc([C@H](C)Nc2cccc(-n3cccn3)c2)o1 ZINC000037127542 326838000 /nfs/dbraw/zinc/83/80/00/326838000.db2.gz AUVRRWSBQXDLCH-ZDUSSCGKSA-N 0 0 267.332 3.947 10 0 CHAERN CC[C@H](Nc1cc(NC(C)=O)ccc1OC)C(C)C ZINC000037296632 326843639 /nfs/dbraw/zinc/84/36/39/326843639.db2.gz DKZQEVCYLAFOFH-ZDUSSCGKSA-N 0 0 264.369 3.500 10 0 CHAERN Cc1noc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000038034418 326869035 /nfs/dbraw/zinc/86/90/35/326869035.db2.gz GEAGRJHZPBYSNG-LLVKDONJSA-N 0 0 273.380 3.526 10 0 CHAERN CC(=O)Nc1cccc([C@@H](C)Nc2cccnc2C)c1 ZINC000091495710 327102946 /nfs/dbraw/zinc/10/29/46/327102946.db2.gz MHUKQPKYGODRPM-LLVKDONJSA-N 0 0 269.348 3.522 10 0 CHAERN C[C@H](NCc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000047865989 327113197 /nfs/dbraw/zinc/11/31/97/327113197.db2.gz LGOLXHYUEBTCMN-NSHDSACASA-N 0 0 285.372 3.649 10 0 CHAERN Cc1cccc(NCc2cc[nH]c2)c1Br ZINC000131226209 327161755 /nfs/dbraw/zinc/16/17/55/327161755.db2.gz RFLSYXQDNYWGIL-UHFFFAOYSA-N 0 0 265.154 3.698 10 0 CHAERN C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000090461214 327179019 /nfs/dbraw/zinc/17/90/19/327179019.db2.gz NJTALXFBQYVNEN-CWRNSKLLSA-N 0 0 287.403 3.590 10 0 CHAERN COc1ccc(NC(=O)c2csc3ccccc23)cc1N ZINC000042891979 327242386 /nfs/dbraw/zinc/24/23/86/327242386.db2.gz HSNKUKZGLGSZJI-UHFFFAOYSA-N 0 0 298.367 3.744 10 0 CHAERN Clc1ccc2scnc2c1NCC1CCOCC1 ZINC000052176120 328640367 /nfs/dbraw/zinc/64/03/67/328640367.db2.gz LAQHFDRJRAHAEI-UHFFFAOYSA-N 0 0 282.796 3.788 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114516262 328649109 /nfs/dbraw/zinc/64/91/09/328649109.db2.gz LZRNGAFKNBJGAN-ZBFHGGJFSA-N 0 0 264.413 3.563 10 0 CHAERN Cc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000053005988 328658995 /nfs/dbraw/zinc/65/89/95/328658995.db2.gz JUOMGTUFKLFHRA-ZDUSSCGKSA-N 0 0 271.335 3.934 10 0 CHAERN CCC[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121851842 328990672 /nfs/dbraw/zinc/99/06/72/328990672.db2.gz BMUZIIHQBLNBFU-JSGCOSHPSA-N 0 0 275.392 3.841 10 0 CHAERN CS[C@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000122233443 328997802 /nfs/dbraw/zinc/99/78/02/328997802.db2.gz NDFZJWXUBWCHKV-LLVKDONJSA-N 0 0 281.446 3.505 10 0 CHAERN CCOC(=O)[C@H](N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000194021893 329064723 /nfs/dbraw/zinc/06/47/23/329064723.db2.gz HQJKZHLSUAJOGJ-XJKSGUPXSA-N 0 0 287.359 3.543 10 0 CHAERN O=C(CCC1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000171646250 329075058 /nfs/dbraw/zinc/07/50/58/329075058.db2.gz XFCWQZQZMMAPPB-AWEZNQCLSA-N 0 0 292.448 3.820 10 0 CHAERN CC(C)[C@@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171610070 329077841 /nfs/dbraw/zinc/07/78/41/329077841.db2.gz GOZVJMBLGMCRNU-HNNXBMFYSA-N 0 0 288.435 3.545 10 0 CHAERN CC(C)CCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172112767 329081240 /nfs/dbraw/zinc/08/12/40/329081240.db2.gz MBTFTHJOOLNTGM-CYBMUJFWSA-N 0 0 264.369 3.562 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)C1CCCC1 ZINC000172122882 329081426 /nfs/dbraw/zinc/08/14/26/329081426.db2.gz AEEJVKAMYXHSTG-TZMCWYRMSA-N 0 0 276.380 3.705 10 0 CHAERN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000172247957 329084126 /nfs/dbraw/zinc/08/41/26/329084126.db2.gz ANHSXURMPXJXNV-GOSISDBHSA-N 0 0 297.446 3.936 10 0 CHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000173059806 329139756 /nfs/dbraw/zinc/13/97/56/329139756.db2.gz DMPYPCBLYKSJFB-HOCLYGCPSA-N 0 0 291.439 3.690 10 0 CHAERN O=C(C1CCCCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172927234 329140883 /nfs/dbraw/zinc/14/08/83/329140883.db2.gz IUKFIWFTOQMFQR-MRXNPFEDSA-N 0 0 289.423 3.824 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@H]1c1ccco1)c1cccc(F)c1 ZINC000173047878 329142655 /nfs/dbraw/zinc/14/26/55/329142655.db2.gz XMEOIFUKPNOFOU-DOMZBBRYSA-N 0 0 287.334 3.886 10 0 CHAERN O=C(c1cccc2cc[nH]c21)N1CCC[C@@H]1c1ccco1 ZINC000173584472 329149548 /nfs/dbraw/zinc/14/95/48/329149548.db2.gz SNODZASJHBYJJM-CQSZACIVSA-N 0 0 280.327 3.738 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccncc1 ZINC000174053961 329153913 /nfs/dbraw/zinc/15/39/13/329153913.db2.gz SWKOGNMLLVZUQC-LBPRGKRZSA-N 0 0 281.359 3.530 10 0 CHAERN CC(C)[C@H](C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174078846 329154002 /nfs/dbraw/zinc/15/40/02/329154002.db2.gz WILFLAANHLKNFS-ZDUSSCGKSA-N 0 0 292.398 3.521 10 0 CHAERN C[C@H]1CC[C@@H](CCC(=O)N2CC=C(c3ccccc3)CC2)O1 ZINC000174975260 329161974 /nfs/dbraw/zinc/16/19/74/329161974.db2.gz KSJJCSUVKROACS-YJBOKZPZSA-N 0 0 299.414 3.650 10 0 CHAERN O=C(CCC1CCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000175878824 329170588 /nfs/dbraw/zinc/17/05/88/329170588.db2.gz GTOSPSWBCSQMAT-RYUDHWBXSA-N 0 0 277.330 3.804 10 0 CHAERN Cc1cscc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000176730370 329176514 /nfs/dbraw/zinc/17/65/14/329176514.db2.gz RTEMMLPXRAXYMC-LBPRGKRZSA-N 0 0 261.346 3.627 10 0 CHAERN CCC(CC)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000177745901 329186550 /nfs/dbraw/zinc/18/65/50/329186550.db2.gz OOTSEEBZXAELLO-UHFFFAOYSA-N 0 0 288.435 3.689 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1O ZINC000180792411 329223084 /nfs/dbraw/zinc/22/30/84/329223084.db2.gz KHNCNUACGJIZIO-UHFFFAOYSA-N 0 0 299.395 3.692 10 0 CHAERN CC(=O)c1ccc(NCc2nccn2C(C)C)cc1Cl ZINC000181018440 329224844 /nfs/dbraw/zinc/22/48/44/329224844.db2.gz AJOFGAXWEGXZGZ-UHFFFAOYSA-N 0 0 291.782 3.932 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC1CCC1)[C@@H](C)C2 ZINC000181247271 329227660 /nfs/dbraw/zinc/22/76/60/329227660.db2.gz RHLBWORAXBPUMT-YVEFUNNKSA-N 0 0 257.377 3.535 10 0 CHAERN COc1cccnc1N(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181178823 329233202 /nfs/dbraw/zinc/23/32/02/329233202.db2.gz LOVKJWCFJGPORO-OLZOCXBDSA-N 0 0 290.407 3.515 10 0 CHAERN Cc1nscc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000182300102 329241480 /nfs/dbraw/zinc/24/14/80/329241480.db2.gz YPUSQSOIFULXRC-MEBBXXQBSA-N 0 0 286.400 3.820 10 0 CHAERN Cc1ccc([C@@H](C)NCc2nc3ccccc3o2)o1 ZINC000183084097 329247013 /nfs/dbraw/zinc/24/70/13/329247013.db2.gz BFXBAOUFJPDLLX-LLVKDONJSA-N 0 0 256.305 3.580 10 0 CHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000183713275 329249783 /nfs/dbraw/zinc/24/97/83/329249783.db2.gz LHXGBWNVVNUGPW-GJZGRUSLSA-N 0 0 288.435 3.545 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccncc1C)[C@@H](C)C2 ZINC000184188618 329257240 /nfs/dbraw/zinc/25/72/40/329257240.db2.gz DDUGZSMMMZEAKS-SJCJKPOMSA-N 0 0 295.386 3.753 10 0 CHAERN CC(C)CC[C@@H](C)Nc1cccc2c1OCC[C@@H]2O ZINC000184567359 329259905 /nfs/dbraw/zinc/25/99/05/329259905.db2.gz VLVHOCDYXZAZGC-DOMZBBRYSA-N 0 0 263.381 3.739 10 0 CHAERN C[C@H](CSC(C)(C)C)Nc1cccc2c1OCC[C@H]2O ZINC000184569649 329259978 /nfs/dbraw/zinc/25/99/78/329259978.db2.gz GPOBRYWOMKEURF-BXUZGUMPSA-N 0 0 295.448 3.835 10 0 CHAERN Cc1cncc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000184473786 329260377 /nfs/dbraw/zinc/26/03/77/329260377.db2.gz ARVWHEPJFORQOR-ZDUSSCGKSA-N 0 0 295.386 3.838 10 0 CHAERN C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000184694864 329261993 /nfs/dbraw/zinc/26/19/93/329261993.db2.gz ILTFGWLURXXHLG-VXGBXAGGSA-N 0 0 285.347 3.501 10 0 CHAERN Cc1cc(-c2nnco2)ccc1N[C@H](C)[C@H]1C[C@H]1C ZINC000321129358 329264012 /nfs/dbraw/zinc/26/40/12/329264012.db2.gz TUIJPRRKHNYXBE-XWIASGKRSA-N 0 0 257.337 3.501 10 0 CHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000185823115 329329919 /nfs/dbraw/zinc/32/99/19/329329919.db2.gz JZFINCDOOKBIIU-OAHLLOKOSA-N 0 0 289.382 3.994 10 0 CHAERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)o1 ZINC000186063412 329336913 /nfs/dbraw/zinc/33/69/13/329336913.db2.gz DLQNNGMVXDWNSO-CQSZACIVSA-N 0 0 293.370 3.896 10 0 CHAERN Cc1cncc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186543355 329345079 /nfs/dbraw/zinc/34/50/79/329345079.db2.gz RQVMNKVGZKLWGP-LBPRGKRZSA-N 0 0 296.374 3.540 10 0 CHAERN CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186548598 329345118 /nfs/dbraw/zinc/34/51/18/329345118.db2.gz WLFFXMLUZDTTFC-MNOVXSKESA-N 0 0 261.369 3.510 10 0 CHAERN CC(=O)Nc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1Cl ZINC000321360275 329348573 /nfs/dbraw/zinc/34/85/73/329348573.db2.gz CUGXUZRTZHGKDJ-LNLATYFQSA-N 0 0 266.772 3.755 10 0 CHAERN Cc1nn(C)cc1N[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000187764897 329360447 /nfs/dbraw/zinc/36/04/47/329360447.db2.gz SNXOXLWDQUHJIE-INIZCTEOSA-N 0 0 297.402 3.543 10 0 CHAERN FC(F)(F)c1ccccc1[C@H]1CN(C2CCC2)CCO1 ZINC000187720457 329362710 /nfs/dbraw/zinc/36/27/10/329362710.db2.gz SMUNKRNFIBXBGQ-CQSZACIVSA-N 0 0 285.309 3.631 10 0 CHAERN CC[C@@H](C)CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000188143900 329364920 /nfs/dbraw/zinc/36/49/20/329364920.db2.gz ZALNTXUBQODVLE-CYBMUJFWSA-N 0 0 292.398 3.665 10 0 CHAERN Cc1cccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1C ZINC000188490140 329369456 /nfs/dbraw/zinc/36/94/56/329369456.db2.gz ZDJJOEHUDNCOOH-HNNXBMFYSA-N 0 0 298.434 3.595 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(Cl)c(F)c2)o1 ZINC000231525353 329376983 /nfs/dbraw/zinc/37/69/83/329376983.db2.gz JJXCGUJGAQEURZ-VIFPVBQESA-N 0 0 268.719 3.626 10 0 CHAERN Cc1ccnc(N[C@@H](C)C(C)C)c1Br ZINC000232718471 329391077 /nfs/dbraw/zinc/39/10/77/329391077.db2.gz IOISNIDPGFSQIU-VIFPVBQESA-N 0 0 257.175 3.609 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)c2c[nH]nc2C2CC2)cc1 ZINC000190013462 329391790 /nfs/dbraw/zinc/39/17/90/329391790.db2.gz CLZPOXDHQPNAME-LBPRGKRZSA-N 0 0 297.402 3.902 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CC2CCCC2)n1 ZINC000190372172 329395678 /nfs/dbraw/zinc/39/56/78/329395678.db2.gz HHFFKUIAPHPWQS-JSGCOSHPSA-N 0 0 278.396 3.721 10 0 CHAERN CC[C@]1(C)C[C@@H]1c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190389795 329395867 /nfs/dbraw/zinc/39/58/67/329395867.db2.gz CTXXODCXISRKDT-MEQWQQMJSA-N 0 0 278.396 3.892 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CCC1CCC1 ZINC000190624434 329399974 /nfs/dbraw/zinc/39/99/74/329399974.db2.gz VMEKXLGDTNBWCA-HNNXBMFYSA-N 0 0 273.376 3.515 10 0 CHAERN C[C@@H](C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)C1CC1 ZINC000191206293 329410728 /nfs/dbraw/zinc/41/07/28/329410728.db2.gz CHLYOCGCSVKEIR-DGCLKSJQSA-N 0 0 293.357 3.717 10 0 CHAERN CC(C)C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccccc1 ZINC000191646353 329416084 /nfs/dbraw/zinc/41/60/84/329416084.db2.gz WEWOFDQLSUFQCA-OIISXLGYSA-N 0 0 289.419 3.705 10 0 CHAERN CC1(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCCCC1 ZINC000127784800 329602200 /nfs/dbraw/zinc/60/22/00/329602200.db2.gz VWFFYASFZOFTRO-CRAIPNDOSA-N 0 0 293.451 3.501 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)C2=COCCC2)o1 ZINC000128540137 329609169 /nfs/dbraw/zinc/60/91/69/329609169.db2.gz GJZGXNWHDUEGCS-OAHLLOKOSA-N 0 0 289.375 3.590 10 0 CHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1 ZINC000128605928 329609893 /nfs/dbraw/zinc/60/98/93/329609893.db2.gz QXTFNJQLBYJUCH-LBPRGKRZSA-N 0 0 299.317 3.652 10 0 CHAERN C[C@H](NC(=O)NCc1ccco1)c1ccc(F)c(Cl)c1 ZINC000048922942 329631636 /nfs/dbraw/zinc/63/16/36/329631636.db2.gz IXWNWXPQQCAPOD-VIFPVBQESA-N 0 0 296.729 3.633 10 0 CHAERN C[C@H](N[C@@H](C)c1cccc(Br)c1)c1ncc[nH]1 ZINC000139000388 329678701 /nfs/dbraw/zinc/67/87/01/329678701.db2.gz XSXFNUXZTLEIRJ-UWVGGRQHSA-N 0 0 294.196 3.584 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)c2ccccc21 ZINC000246342918 329836464 /nfs/dbraw/zinc/83/64/64/329836464.db2.gz MZXPEJBPUYCHTN-BEMMVCDISA-N 0 0 269.388 3.787 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C2CC2)c2ccccc21 ZINC000246342938 329836489 /nfs/dbraw/zinc/83/64/89/329836489.db2.gz MZXPEJBPUYCHTN-JKEMJCCQSA-N 0 0 269.388 3.787 10 0 CHAERN CCC[C@H](C)CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048378 329850419 /nfs/dbraw/zinc/85/04/19/329850419.db2.gz AHVWMNZTCRHSGD-QWHCGFSZSA-N 0 0 280.437 3.675 10 0 CHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2ccccc2c1 ZINC000246647902 329868652 /nfs/dbraw/zinc/86/86/52/329868652.db2.gz COBVCECCMAFXJA-KSZLIROESA-N 0 0 295.382 3.527 10 0 CHAERN C[C@H](c1cccnc1)N(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246826792 329871181 /nfs/dbraw/zinc/87/11/81/329871181.db2.gz JKWVNZPYQOKMKB-COXVUDFISA-N 0 0 286.419 3.817 10 0 CHAERN C[C@@H]1CCN(Cc2ncc(Cl)n2C)[C@@H](c2ccco2)C1 ZINC000247579754 329882918 /nfs/dbraw/zinc/88/29/18/329882918.db2.gz SQVYCNZOKGHNBR-VXGBXAGGSA-N 0 0 293.798 3.640 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CC2)o1 ZINC000247940961 329886280 /nfs/dbraw/zinc/88/62/80/329886280.db2.gz USKIJIALTHJLDD-GFCCVEGCSA-N 0 0 287.334 3.636 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)C[C@@H](C)C1 ZINC000248582646 329895134 /nfs/dbraw/zinc/89/51/34/329895134.db2.gz QHUVULJZDPZHIW-NHIYQJMISA-N 0 0 289.423 3.536 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3CCCC3)C2)cc1 ZINC000078187616 329947269 /nfs/dbraw/zinc/94/72/69/329947269.db2.gz JSLADQSPYMNHMS-CZUORRHYSA-N 0 0 287.403 3.590 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)Nc2ccccn2)c2ccccc21 ZINC000162183160 329982558 /nfs/dbraw/zinc/98/25/58/329982558.db2.gz NOULTCBWYJYDJG-SWLSCSKDSA-N 0 0 281.359 3.842 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)cc(F)c2)o1 ZINC000079547400 330041000 /nfs/dbraw/zinc/04/10/00/330041000.db2.gz BMOBOEXEXRXOGX-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN CCCC[C@H]([NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263435374 330055631 /nfs/dbraw/zinc/05/56/31/330055631.db2.gz UJBWENWELQHCML-KBMXLJTQSA-N 0 0 293.382 3.695 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@@H]2CCCn3ccnc32)c1 ZINC000080607004 330144955 /nfs/dbraw/zinc/14/49/55/330144955.db2.gz QCHQJSHFJVGCMJ-MRXNPFEDSA-N 0 0 297.402 3.547 10 0 CHAERN C[C@@H](O)[C@@H](C)Oc1ccc(Oc2ccccc2)cc1 ZINC000044214594 330326785 /nfs/dbraw/zinc/32/67/85/330326785.db2.gz PTTQBJNWCQTKGH-CHWSQXEVSA-N 0 0 258.317 3.627 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)cc1 ZINC000046762377 330356258 /nfs/dbraw/zinc/35/62/58/330356258.db2.gz SCVMCMVXVLWVOI-PBHICJAKSA-N 0 0 289.419 3.631 10 0 CHAERN C[C@@H]1CCCC[C@@]12C[C@H](N(C)C(=O)OC(C)(C)C)CO2 ZINC000536956537 330383239 /nfs/dbraw/zinc/38/32/39/330383239.db2.gz YNANVRPIAGMPJA-DVOMOZLQSA-N 0 0 283.412 3.591 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@H]1CO2 ZINC000536956486 330383303 /nfs/dbraw/zinc/38/33/03/330383303.db2.gz WQFGKTODILHJLP-ZJOBFFGXSA-N 0 0 295.423 3.639 10 0 CHAERN CCC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000120206389 330386337 /nfs/dbraw/zinc/38/63/37/330386337.db2.gz GEJBFYBJHBJFTF-KGLIPLIRSA-N 0 0 278.396 3.871 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(Sc2ccccc2)n1 ZINC000120233052 330386403 /nfs/dbraw/zinc/38/64/03/330386403.db2.gz PLWMUWDNDQFTQG-XHDPSFHLSA-N 0 0 298.411 3.679 10 0 CHAERN c1csc(-c2ccc(NCc3cc[nH]c3)cc2)n1 ZINC000090994703 330397748 /nfs/dbraw/zinc/39/77/48/330397748.db2.gz YBEMCTBCKOASGQ-UHFFFAOYSA-N 0 0 255.346 3.750 10 0 CHAERN COCc1c(Br)cccc1NCc1cc[nH]c1 ZINC000090994771 330397822 /nfs/dbraw/zinc/39/78/22/330397822.db2.gz LMJSWBRLADSLAG-UHFFFAOYSA-N 0 0 295.180 3.536 10 0 CHAERN CCc1nnc(CS[C@H](C)CCc2ccccc2)n1C ZINC000091028971 330397960 /nfs/dbraw/zinc/39/79/60/330397960.db2.gz JFZVONQQKUZOCY-CYBMUJFWSA-N 0 0 289.448 3.632 10 0 CHAERN O=C(Nc1ccc2c(c1)COC2)[C@H]1C[C@H]1C1CCCCC1 ZINC000121876423 330407130 /nfs/dbraw/zinc/40/71/30/330407130.db2.gz VQEUPLPLWLFTOT-IRXDYDNUSA-N 0 0 285.387 3.872 10 0 CHAERN C[C@@H](NC(=O)c1cccc2c1CCCN2)C1CCCCC1 ZINC000061413043 330437889 /nfs/dbraw/zinc/43/78/89/330437889.db2.gz LGRBUQSCNAFATP-CYBMUJFWSA-N 0 0 286.419 3.743 10 0 CHAERN CC[C@@](C)(CCO)Nc1nc(C)nc2sc(C)c(C)c21 ZINC000312372632 330462790 /nfs/dbraw/zinc/46/27/90/330462790.db2.gz AXZMSDPRUUNGDU-HNNXBMFYSA-N 0 0 293.436 3.580 10 0 CHAERN Cc1ccncc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000085129961 330489163 /nfs/dbraw/zinc/48/91/63/330489163.db2.gz MHZWTUYTGOHYPL-GHMZBOCLSA-N 0 0 258.287 3.923 10 0 CHAERN CCc1ccc([C@H](C)Nc2ncnc3ncccc32)cc1 ZINC000162944955 330842306 /nfs/dbraw/zinc/84/23/06/330842306.db2.gz CTVJLVPFXUILCN-LBPRGKRZSA-N 0 0 278.359 3.760 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1N[C@@H]1CCOC[C@@H]1C ZINC000195077465 331137534 /nfs/dbraw/zinc/13/75/34/331137534.db2.gz KQTRQEXITYVMDI-CMPLNLGQSA-N 0 0 273.298 3.851 10 0 CHAERN CC1(C)CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173658211 332977184 /nfs/dbraw/zinc/97/71/84/332977184.db2.gz PGVQOBRGUCHWFC-QWRGUYRKSA-N 0 0 292.345 3.549 10 0 CHAERN CCCCCC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175174167 333016065 /nfs/dbraw/zinc/01/60/65/333016065.db2.gz TVCGMSCKOMWMDH-UHFFFAOYSA-N 0 0 293.411 3.659 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2Cc3ccccc3C[C@H]2C)o1 ZINC000175342658 333022243 /nfs/dbraw/zinc/02/22/43/333022243.db2.gz PWSLYNPPKIRTQQ-OCCSQVGLSA-N 0 0 298.386 3.805 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2Cc3ccccc3C[C@H]2C)o1 ZINC000175342638 333022324 /nfs/dbraw/zinc/02/23/24/333022324.db2.gz PWSLYNPPKIRTQQ-TZMCWYRMSA-N 0 0 298.386 3.805 10 0 CHAERN C[C@@H]1C[C@H]1Nc1ccnc2cc(Br)ccc21 ZINC000309812882 333050022 /nfs/dbraw/zinc/05/00/22/333050022.db2.gz UPZPEDGDULQAOD-PRHODGIISA-N 0 0 277.165 3.818 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1c(C)cccc1Br ZINC000310523331 333059369 /nfs/dbraw/zinc/05/93/69/333059369.db2.gz XILNZLUHYNFCFD-PWSUYJOCSA-N 0 0 296.208 3.676 10 0 CHAERN CC(C)(C)[C@H](O)CSc1ccc2ccccc2n1 ZINC000310990424 333063392 /nfs/dbraw/zinc/06/33/92/333063392.db2.gz ZQPAVPFAMPNJLJ-CYBMUJFWSA-N 0 0 261.390 3.734 10 0 CHAERN CCc1cc(C)c(C(=O)N[C@@H](C)c2cccs2)o1 ZINC000178322252 333070899 /nfs/dbraw/zinc/07/08/99/333070899.db2.gz SVVNZKVFCACGCC-JTQLQIEISA-N 0 0 263.362 3.703 10 0 CHAERN C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)[C@H](C)O ZINC000087138605 333081354 /nfs/dbraw/zinc/08/13/54/333081354.db2.gz UDFSEPHPIUUKDA-NTSWFWBYSA-N 0 0 269.555 3.795 10 0 CHAERN CCC[C@H]1C[C@H](C(=O)NC2CCC(CC)CC2)CCO1 ZINC000182928693 333118433 /nfs/dbraw/zinc/11/84/33/333118433.db2.gz YAGQMFFDEOPIAD-KNIAUWFNSA-N 0 0 281.440 3.667 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(O)cc2)CC(C)(C)C1 ZINC000183257031 333119894 /nfs/dbraw/zinc/11/98/94/333119894.db2.gz WLRPWYBOMIDTHD-UKRRQHHQSA-N 0 0 289.419 3.813 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(C)C)cc1F ZINC000185678004 333146289 /nfs/dbraw/zinc/14/62/89/333146289.db2.gz YZFJYDIZTNTYHB-IACUBPJLSA-N 0 0 263.356 3.603 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cccc(C)c2F)C12CCOCC2 ZINC000186472329 333161693 /nfs/dbraw/zinc/16/16/93/333161693.db2.gz IDTZXHNDIVSFTR-HUUCEWRRSA-N 0 0 293.382 3.520 10 0 CHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2cc(F)ccc2F)o1 ZINC000220905742 333170571 /nfs/dbraw/zinc/17/05/71/333170571.db2.gz CRLZKWOXXFNDRW-VHSXEESVSA-N 0 0 266.291 3.673 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc3ccccc32)o1 ZINC000220926213 333170914 /nfs/dbraw/zinc/17/09/14/333170914.db2.gz HHKDQSOEQLWOCY-CYBMUJFWSA-N 0 0 266.344 3.987 10 0 CHAERN CCCCN(C(=O)[C@@H]1CCCO[C@H]1C)c1ccccc1 ZINC000189062910 333179425 /nfs/dbraw/zinc/17/94/25/333179425.db2.gz WNHCEDMXMNFFFD-GOEBONIOSA-N 0 0 275.392 3.635 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190366613 333205918 /nfs/dbraw/zinc/20/59/18/333205918.db2.gz MGYRAUATTXCYOO-MNOVXSKESA-N 0 0 294.361 3.651 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000190366424 333205986 /nfs/dbraw/zinc/20/59/86/333205986.db2.gz VLQGUPUHSSGQEV-NSHDSACASA-N 0 0 296.361 3.683 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000190623591 333208996 /nfs/dbraw/zinc/20/89/96/333208996.db2.gz KBIBNKQCCUQPOJ-JJRVBVJISA-N 0 0 289.419 3.802 10 0 CHAERN CCOC1CC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000224377786 333220051 /nfs/dbraw/zinc/22/00/51/333220051.db2.gz GMNWCFVTVBCFNK-OIKLOGQESA-N 0 0 271.763 3.697 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000191579122 333221775 /nfs/dbraw/zinc/22/17/75/333221775.db2.gz CNJBSZFLDYKYLY-DOMZBBRYSA-N 0 0 295.382 3.692 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000191835637 333226060 /nfs/dbraw/zinc/22/60/60/333226060.db2.gz RFNXFWYHLMBTHA-STQMWFEESA-N 0 0 275.392 3.738 10 0 CHAERN C[C@H]1OCCC[C@H]1C(=O)N(c1ccccc1)C1CCCC1 ZINC000191899283 333227269 /nfs/dbraw/zinc/22/72/69/333227269.db2.gz YNYNDXZDBDALSR-RHSMWYFYSA-N 0 0 287.403 3.777 10 0 CHAERN Brc1cc2ccncc2cc1Br ZINC000096321467 333246031 /nfs/dbraw/zinc/24/60/31/333246031.db2.gz KJTFILGUWPYHBN-UHFFFAOYSA-N 0 0 286.954 3.760 10 0 CHAERN CC(C)c1cc(Br)ccc1O[C@H](C)[C@H](C)O ZINC000227998658 333292366 /nfs/dbraw/zinc/29/23/66/333292366.db2.gz ZLOVUWRFMOJSLB-VHSXEESVSA-N 0 0 287.197 3.721 10 0 CHAERN CC[C@H](NC(=O)c1cccc(C)c1Br)C(C)C ZINC000229868761 333310551 /nfs/dbraw/zinc/31/05/51/333310551.db2.gz XFLNCEQXTXRPAG-LBPRGKRZSA-N 0 0 298.224 3.922 10 0 CHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000230198239 333315670 /nfs/dbraw/zinc/31/56/70/333315670.db2.gz JQBCCFQKUBIORZ-PELKAZGASA-N 0 0 289.272 3.763 10 0 CHAERN CCCC[C@H](N[C@H](C)c1ccc(C)c(F)c1)C(=O)OC ZINC000230500107 333318786 /nfs/dbraw/zinc/31/87/86/333318786.db2.gz MZMKFWKUSBFHAZ-DOMZBBRYSA-N 0 0 281.371 3.517 10 0 CHAERN Cc1sc(C(C)(C)C(=O)OC(C)(C)C)nc1C1CC1 ZINC000394041835 333415880 /nfs/dbraw/zinc/41/58/80/333415880.db2.gz AIDUOCLWRCQKKR-UHFFFAOYSA-N 0 0 281.421 3.948 10 0 CHAERN CCc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000082340308 333423395 /nfs/dbraw/zinc/42/33/95/333423395.db2.gz YWNWDLXYBDOUIE-INIZCTEOSA-N 0 0 296.370 3.894 10 0 CHAERN COCCn1cc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)cn1 ZINC000037090411 333477674 /nfs/dbraw/zinc/47/76/74/333477674.db2.gz LWPRGIBJYXGKLA-LSDHHAIUSA-N 0 0 279.428 3.546 10 0 CHAERN C[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)no2)O1 ZINC000129115739 333747806 /nfs/dbraw/zinc/74/78/06/333747806.db2.gz FLGPIXNYPDWFBN-KWQFWETISA-N 0 0 264.712 3.630 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)c2ccccn2)cc1 ZINC000129535359 333776023 /nfs/dbraw/zinc/77/60/23/333776023.db2.gz ZSBYVZHROCNSNH-IAGOWNOFSA-N 0 0 294.398 3.972 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)NC(C)(C)C)c2ccccc21 ZINC000132838110 334007407 /nfs/dbraw/zinc/00/74/07/334007407.db2.gz HAODGFYIAXQTOO-RISCZKNCSA-N 0 0 260.381 3.723 10 0 CHAERN CC(C)OCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000075723035 334049437 /nfs/dbraw/zinc/04/94/37/334049437.db2.gz YIPKHNSMSLHCQO-AWEZNQCLSA-N 0 0 285.387 3.832 10 0 CHAERN COc1ccccc1C1CC(Nc2cccc(F)n2)C1 ZINC000134485376 334091955 /nfs/dbraw/zinc/09/19/55/334091955.db2.gz KBOPBWXFKKRJEU-UHFFFAOYSA-N 0 0 272.323 3.587 10 0 CHAERN CCC1CCC(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000135120051 334116380 /nfs/dbraw/zinc/11/63/80/334116380.db2.gz MBJAMYRMHKVQID-QGLTVNCISA-N 0 0 291.439 3.605 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(F)cc2C)CC1 ZINC000135329940 334126297 /nfs/dbraw/zinc/12/62/97/334126297.db2.gz KVELMWNRAZXWDG-UHFFFAOYSA-N 0 0 263.356 3.833 10 0 CHAERN O=C(CC1CCCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000078491042 334134674 /nfs/dbraw/zinc/13/46/74/334134674.db2.gz HFSZBBKGTHNOIW-VXGBXAGGSA-N 0 0 277.330 3.804 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1cc(F)ccc1F ZINC000079295373 334151385 /nfs/dbraw/zinc/15/13/85/334151385.db2.gz PSUIOMRWNHUDRO-LBPRGKRZSA-N 0 0 289.325 3.693 10 0 CHAERN CCCNC(=O)c1cccc(N[C@H]2CC[C@H](CC)C2)c1 ZINC000080430803 334171482 /nfs/dbraw/zinc/17/14/82/334171482.db2.gz YEJBWOHQJKSJSL-BBRMVZONSA-N 0 0 274.408 3.817 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(F)c(NC(C)=O)c2)C1 ZINC000080457322 334171695 /nfs/dbraw/zinc/17/16/95/334171695.db2.gz FNVOAHCSDPPBEU-RYUDHWBXSA-N 0 0 264.344 3.775 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2cccc(-c3n[nH]c(C)n3)c2)C1 ZINC000080458647 334171881 /nfs/dbraw/zinc/17/18/81/334171881.db2.gz IHFJWXIZKKSLMQ-SWLSCSKDSA-N 0 0 270.380 3.771 10 0 CHAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@H](C)C(C)C)C1CC1 ZINC000245435100 334193070 /nfs/dbraw/zinc/19/30/70/334193070.db2.gz SGNZCHCMLXSESU-YNEHKIRRSA-N 0 0 254.418 3.640 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000245725816 334215351 /nfs/dbraw/zinc/21/53/51/334215351.db2.gz IONFHWKCRCDSCM-UGUYLWEFSA-N 0 0 281.440 3.667 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245919352 334224044 /nfs/dbraw/zinc/22/40/44/334224044.db2.gz MCHVIYIPCPHQHD-ROBVANNZSA-N 0 0 284.186 3.622 10 0 CHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246347947 334251982 /nfs/dbraw/zinc/25/19/82/334251982.db2.gz HPEOAPIZAXOVBR-USZNOCQGSA-N 0 0 292.345 3.690 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246702334 334267548 /nfs/dbraw/zinc/26/75/48/334267548.db2.gz ITHDYAVSIMAIBG-HBNTYKKESA-N 0 0 265.319 3.516 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000246730459 334268403 /nfs/dbraw/zinc/26/84/03/334268403.db2.gz ZMAHCFISQQWWRA-UFRBAHOGSA-N 0 0 269.388 3.787 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2C)c1C ZINC000247385072 334279815 /nfs/dbraw/zinc/27/98/15/334279815.db2.gz FXEZSSRIKZIEGG-KCXAZCMYSA-N 0 0 272.392 3.558 10 0 CHAERN CO[C@H](C)CN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454497 334302623 /nfs/dbraw/zinc/30/26/23/334302623.db2.gz ZKUYSTSDMYFTCM-DOMZBBRYSA-N 0 0 297.826 3.527 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC=CCC1)[C@H](C)C2 ZINC000248545754 334305688 /nfs/dbraw/zinc/30/56/88/334305688.db2.gz JFOXFMJZVGCRHL-CKEIUWERSA-N 0 0 269.388 3.701 10 0 CHAERN C[C@@H]1C[C@H](C(=O)N2CCSCC[C@@H]2C)CC(C)(C)C1 ZINC000248841852 334319587 /nfs/dbraw/zinc/31/95/87/334319587.db2.gz LSYLIEKGWNUNRN-RDBSUJKOSA-N 0 0 283.481 3.803 10 0 CHAERN C[C@@H]1CCC[C@H](Nc2cccc(Cn3cncn3)c2)[C@H]1C ZINC000251621283 334365731 /nfs/dbraw/zinc/36/57/31/334365731.db2.gz CNIQGVLZQNCKEK-KEYYUXOJSA-N 0 0 284.407 3.563 10 0 CHAERN C[C@@H]1CC[C@H](Nc2cccc(Cn3cncn3)c2)C[C@H]1C ZINC000251848456 334370684 /nfs/dbraw/zinc/37/06/84/334370684.db2.gz OTRLWBICTKAAPW-CPUCHLNUSA-N 0 0 284.407 3.563 10 0 CHAERN C[C@@H]1CCC[C@@H](Nc2cccc(-c3nncn3C)c2)[C@H]1C ZINC000252179317 334376072 /nfs/dbraw/zinc/37/60/72/334376072.db2.gz PRMJAZXUABKVLJ-DVOMOZLQSA-N 0 0 284.407 3.719 10 0 CHAERN CCC[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000153448774 334604395 /nfs/dbraw/zinc/60/43/95/334604395.db2.gz PGRCECOVQOBMRC-QCZZGDTMSA-N 0 0 282.334 3.514 10 0 CHAERN CC[C@@H](CC(=O)N[C@@H](C)C(C)C)c1ccc(OC)cc1 ZINC000154448741 334694787 /nfs/dbraw/zinc/69/47/87/334694787.db2.gz CBTOLEFDWLPGOW-KBPBESRZSA-N 0 0 277.408 3.740 10 0 CHAERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000155473483 334722074 /nfs/dbraw/zinc/72/20/74/334722074.db2.gz JFNMONAICJICHP-XJKSGUPXSA-N 0 0 291.435 3.568 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1cncc(-c2ccccc2)c1 ZINC000159179909 334821311 /nfs/dbraw/zinc/82/13/11/334821311.db2.gz QIZUWZLXGAKCKB-CYBMUJFWSA-N 0 0 268.360 3.523 10 0 CHAERN C[C@H](COCc1ccccc1)Nc1ncccc1Cl ZINC000347445967 335379468 /nfs/dbraw/zinc/37/94/68/335379468.db2.gz LOSBMDZTKXSHFK-GFCCVEGCSA-N 0 0 276.767 3.752 10 0 CHAERN CC(C)CCn1cccc1CNc1nnc(CC(C)C)o1 ZINC000181772451 335784630 /nfs/dbraw/zinc/78/46/30/335784630.db2.gz WXJRJOMMEZTLAB-UHFFFAOYSA-N 0 0 290.411 3.728 10 0 CHAERN CC(C)(C)CCSc1nc2cc(N)ccc2o1 ZINC000049256396 518657648 /nfs/dbraw/zinc/65/76/48/518657648.db2.gz MXWKQKXMMHHAQD-UHFFFAOYSA-N 0 0 250.367 3.938 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000334762289 534150499 /nfs/dbraw/zinc/15/04/99/534150499.db2.gz IIPAJCQHCKBDBS-MFKMUULPSA-N 0 0 264.756 3.665 10 0 CHAERN CSc1ccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)nc1 ZINC000333757595 534179583 /nfs/dbraw/zinc/17/95/83/534179583.db2.gz CBZCLPANSVQGEV-PJXYFTJBSA-N 0 0 287.388 3.757 10 0 CHAERN C[C@@H](Cc1cccs1)N(C)c1nc2ccccc2[nH]1 ZINC000301849680 534254888 /nfs/dbraw/zinc/25/48/88/534254888.db2.gz AMJFBABGONHKQH-NSHDSACASA-N 0 0 271.389 3.692 10 0 CHAERN Brc1ccccc1COCCc1ccccn1 ZINC000049600811 518223687 /nfs/dbraw/zinc/22/36/87/518223687.db2.gz SFSSQNUCNGGRJP-UHFFFAOYSA-N 0 0 292.176 3.603 10 0 CHAERN CC(=O)Nc1ccc(Sc2cc(N)ccc2C)cc1 ZINC000053735681 519732770 /nfs/dbraw/zinc/73/27/70/519732770.db2.gz WTLVIDMEZKSALD-UHFFFAOYSA-N 0 0 272.373 3.687 10 0 CHAERN Fc1cc(F)c2nccc(NC[C@@H]3CCCS3)c2c1 ZINC000302409846 534447119 /nfs/dbraw/zinc/44/71/19/534447119.db2.gz HHGZSKAZKZESTO-JTQLQIEISA-N 0 0 280.343 3.821 10 0 CHAERN CC(C)[C@H](Cc1ccc(C(F)(F)F)cc1)[C@H](C)O ZINC000061688779 519816686 /nfs/dbraw/zinc/81/66/86/519816686.db2.gz QFQNSADKVWMWLN-GWCFXTLKSA-N 0 0 260.299 3.901 10 0 CHAERN CC(C)[C@H]1CCC(=O)[C@@H](CCOCC(F)(F)F)C1 ZINC000054630128 519824338 /nfs/dbraw/zinc/82/43/38/519824338.db2.gz DCTUXSDGICSMQM-QWRGUYRKSA-N 0 0 266.303 3.597 10 0 CHAERN CC(C)c1nnc(Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000050518793 519857882 /nfs/dbraw/zinc/85/78/82/519857882.db2.gz GJMBBHQZXNXHOV-UHFFFAOYSA-N 0 0 269.270 3.538 10 0 CHAERN CCCCC1CCC(C(=O)Nc2ccc(N)nc2)CC1 ZINC000061680280 519919542 /nfs/dbraw/zinc/91/95/42/519919542.db2.gz FCORGDWUNLJYLQ-UHFFFAOYSA-N 0 0 275.396 3.599 10 0 CHAERN CCN(C(=O)[C@H](C)COC)[C@@H](C)c1cc2ccccc2o1 ZINC000103385359 520037147 /nfs/dbraw/zinc/03/71/47/520037147.db2.gz KMDFACXFFFUTGZ-OLZOCXBDSA-N 0 0 289.375 3.625 10 0 CHAERN CCCNc1ccc(C(=O)N(CC)C(C)C)cc1C ZINC000063056861 520141941 /nfs/dbraw/zinc/14/19/41/520141941.db2.gz RESVSXMIXKFTPH-UHFFFAOYSA-N 0 0 262.397 3.687 10 0 CHAERN CCCNc1ccc(C(=O)NCc2cccs2)cc1 ZINC000050746700 520148953 /nfs/dbraw/zinc/14/89/53/520148953.db2.gz QNNDRFVPWYBNKX-UHFFFAOYSA-N 0 0 274.389 3.500 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)N(C)CC(C)C ZINC000053000971 520153044 /nfs/dbraw/zinc/15/30/44/520153044.db2.gz ONUHUYKLIYXVCK-UHFFFAOYSA-N 0 0 262.397 3.545 10 0 CHAERN CCCNc1ccc(C)cc1C(=O)NC[C@H](C)CC ZINC000054492399 520154538 /nfs/dbraw/zinc/15/45/38/520154538.db2.gz MEKCBQGTWMSQFX-GFCCVEGCSA-N 0 0 262.397 3.593 10 0 CHAERN CCCNc1nc(Cc2ccccc2)nc(C)c1C ZINC000050864325 520187438 /nfs/dbraw/zinc/18/74/38/520187438.db2.gz JKNBQUPRZNTHTF-UHFFFAOYSA-N 0 0 255.365 3.506 10 0 CHAERN CCOCc1cccc(NC(=O)CCc2ccccc2O)c1 ZINC000102274724 520198306 /nfs/dbraw/zinc/19/83/06/520198306.db2.gz LJPCDZHNQYQQRJ-UHFFFAOYSA-N 0 0 299.370 3.500 10 0 CHAERN CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000053995099 520207666 /nfs/dbraw/zinc/20/76/66/520207666.db2.gz MCFIDPUNWXCJQN-IAGOWNOFSA-N 0 0 283.371 3.514 10 0 CHAERN CCNc1ccnc(Cc2c(Cl)cccc2Cl)n1 ZINC000050863876 520348668 /nfs/dbraw/zinc/34/86/68/520348668.db2.gz QLSYJTHURHYLOI-UHFFFAOYSA-N 0 0 282.174 3.806 10 0 CHAERN CCNc1snnc1COc1cccc(C(C)C)c1 ZINC000050830718 520388420 /nfs/dbraw/zinc/38/84/20/520388420.db2.gz FKTMLKWWPOERMR-UHFFFAOYSA-N 0 0 277.393 3.672 10 0 CHAERN CCCOc1ccc([C@H](O)c2ccc(F)cc2)cc1 ZINC000055262773 520430970 /nfs/dbraw/zinc/43/09/70/520430970.db2.gz JWFDMENLXPWVDI-MRXNPFEDSA-N 0 0 260.308 3.696 10 0 CHAERN CC1(C)[C@H](Nc2cccc(OC(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000085633072 520674752 /nfs/dbraw/zinc/67/47/52/520674752.db2.gz YLKJRBZAYASKEE-UPJWGTAASA-N 0 0 283.318 3.513 10 0 CHAERN CCOc1ccc(-c2nc(-c3cccs3)n[nH]2)cc1 ZINC000054699979 520813764 /nfs/dbraw/zinc/81/37/64/520813764.db2.gz FSZUIJYRDDEXOF-UHFFFAOYSA-N 0 0 271.345 3.599 10 0 CHAERN CCCCSCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000152366489 520946209 /nfs/dbraw/zinc/94/62/09/520946209.db2.gz KEVQEPJJJIOVAD-ZDUSSCGKSA-N 0 0 281.421 3.867 10 0 CHAERN CCC[C@H](C)N(C)C(=O)c1cc(C)ccc1NCC ZINC000053001571 521031835 /nfs/dbraw/zinc/03/18/35/521031835.db2.gz PJTCFBXRJDFLRO-ZDUSSCGKSA-N 0 0 262.397 3.687 10 0 CHAERN CCC[C@H](O)[C@H](CC)n1c2ccccc2nc1CC ZINC000062807853 521191546 /nfs/dbraw/zinc/19/15/46/521191546.db2.gz WAYOPQHIYZZDIU-ZFWWWQNUSA-N 0 0 260.381 3.711 10 0 CHAERN CCC[C@H](O)[C@@H](CC)n1cc(-c2ccccc2)cn1 ZINC000054961757 521191939 /nfs/dbraw/zinc/19/19/39/521191939.db2.gz MJKKBWBOKXTOLK-CVEARBPZSA-N 0 0 258.365 3.662 10 0 CHAERN CCC[C@H]1CC[C@@H](O)[C@H](Oc2cccc(F)c2F)C1 ZINC000062652662 521212126 /nfs/dbraw/zinc/21/21/26/521212126.db2.gz BKJQJAUEOLVAHQ-ZKYQVNSYSA-N 0 0 270.319 3.673 10 0 CHAERN CCC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000054716339 521240000 /nfs/dbraw/zinc/24/00/00/521240000.db2.gz SONOBKMBLTZTHC-UHFFFAOYSA-N 0 0 276.767 3.794 10 0 CHAERN CCN(C[C@H]1CCCO1)c1ccc(C(C)=O)cc1Cl ZINC000061693844 521271735 /nfs/dbraw/zinc/27/17/35/521271735.db2.gz GDOGMVTWXUXPEP-CYBMUJFWSA-N 0 0 281.783 3.548 10 0 CHAERN CCC[C@](C)([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000049527872 521285659 /nfs/dbraw/zinc/28/56/59/521285659.db2.gz YUNMGQMNZHITFO-HZMBPMFUSA-N 0 0 269.772 3.634 10 0 CHAERN CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)C(=O)[O-] ZINC000061218290 521304175 /nfs/dbraw/zinc/30/41/75/521304175.db2.gz JXMZKLLDKXEAML-CYBMUJFWSA-N 0 0 277.408 3.527 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2ccccc2F)[nH]1 ZINC000088398704 521308854 /nfs/dbraw/zinc/30/88/54/521308854.db2.gz VHXKJGHAMQYOTO-UHFFFAOYSA-N 0 0 295.789 3.835 10 0 CHAERN CCCc1cc(NC)c2cc(F)c(F)c(F)c2n1 ZINC000050870700 521378599 /nfs/dbraw/zinc/37/85/99/521378599.db2.gz QMHBGEIZSVPSOP-UHFFFAOYSA-N 0 0 254.255 3.646 10 0 CHAERN CCCc1nc(-c2ccccc2OC(F)F)c(N)s1 ZINC000050308281 521465678 /nfs/dbraw/zinc/46/56/78/521465678.db2.gz WHMIQYKQCRKBAK-UHFFFAOYSA-N 0 0 284.331 3.946 10 0 CHAERN CCN(c1cccc(F)c1)c1ccc(CO)cc1C ZINC000050561345 521497172 /nfs/dbraw/zinc/49/71/72/521497172.db2.gz TWPTYVHALZPVHL-UHFFFAOYSA-N 0 0 259.324 3.784 10 0 CHAERN CCCN(c1nc2c(s1)[C@@H](O)CC(C)(C)C2)C(C)C ZINC000054910932 521697759 /nfs/dbraw/zinc/69/77/59/521697759.db2.gz ZRIMUZOHOPOXDT-LBPRGKRZSA-N 0 0 282.453 3.774 10 0 CHAERN CC[C@H](CC(=O)N1CCCC1(C)C)c1ccccc1 ZINC000103435471 522092717 /nfs/dbraw/zinc/09/27/17/522092717.db2.gz FYDIDEKVBMPAOI-CQSZACIVSA-N 0 0 259.393 3.971 10 0 CHAERN COc1cc(Cl)c(C)cc1NCc1ccc[nH]1 ZINC000051787881 522521041 /nfs/dbraw/zinc/52/10/41/522521041.db2.gz UMEUYHNEFLKCRB-UHFFFAOYSA-N 0 0 250.729 3.597 10 0 CHAERN COC[C@H](C)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000103372837 522545904 /nfs/dbraw/zinc/54/59/04/522545904.db2.gz UEGLDOPCJOBFER-RYUDHWBXSA-N 0 0 295.810 3.675 10 0 CHAERN CNc1cc(C(C)C)nc(-c2ccc(C)cc2C)n1 ZINC000050865252 522562986 /nfs/dbraw/zinc/56/29/86/522562986.db2.gz ZGILLTHECAAOFP-UHFFFAOYSA-N 0 0 255.365 3.926 10 0 CHAERN CNc1cc(C(C)(C)C)nc2c(F)c(F)cc(F)c12 ZINC000061122475 522563327 /nfs/dbraw/zinc/56/33/27/522563327.db2.gz ATIZYAOVWBMMTF-UHFFFAOYSA-N 0 0 268.282 3.991 10 0 CHAERN CNc1nc(-c2ccc([C@H]3C[C@H]3C)o2)nc(C)c1C ZINC000050865914 522676708 /nfs/dbraw/zinc/67/67/08/522676708.db2.gz FLEQBOZLDQPCMU-KCJUWKMLSA-N 0 0 257.337 3.519 10 0 CHAERN CNc1ncccc1CSc1nc2ccccc2o1 ZINC000052756145 522711605 /nfs/dbraw/zinc/71/16/05/522711605.db2.gz PKYGNDGWVYHOPT-UHFFFAOYSA-N 0 0 271.345 3.557 10 0 CHAERN CC[C@@H](NC(=O)c1cc(Cl)ccc1NC)C(C)C ZINC000050777043 522775842 /nfs/dbraw/zinc/77/58/42/522775842.db2.gz WWBBODWJLYXKTC-GFCCVEGCSA-N 0 0 268.788 3.546 10 0 CHAERN CC[C@@H](Nc1ccc(C(N)=S)cc1Cl)C(C)C ZINC000062795503 522956329 /nfs/dbraw/zinc/95/63/29/522956329.db2.gz XJIGGKVGCASITB-LLVKDONJSA-N 0 0 270.829 3.821 10 0 CHAERN CC[C@@H](c1cccs1)n1c(=S)[nH]nc1C1CC1 ZINC000049531468 523107459 /nfs/dbraw/zinc/10/74/59/523107459.db2.gz LJJXUQMBFYEBFW-VIFPVBQESA-N 0 0 265.407 3.879 10 0 CHAERN CN(Cc1ccc(Cl)nc1)C(=O)C1CCCCCC1 ZINC000101948431 523230898 /nfs/dbraw/zinc/23/08/98/523230898.db2.gz PMDCXHPTYQDRBM-UHFFFAOYSA-N 0 0 280.799 3.664 10 0 CHAERN COc1ccc(Br)cc1C[C@@H]1CCCCC1=O ZINC000049596761 523501868 /nfs/dbraw/zinc/50/18/68/523501868.db2.gz BNRFFMDFGUZXMO-JTQLQIEISA-N 0 0 297.192 3.760 10 0 CHAERN CN(c1cc(Cl)ccc1C(N)=S)C1CCCCC1 ZINC000062787946 523632412 /nfs/dbraw/zinc/63/24/12/523632412.db2.gz HAIWXBLLZFOFKR-UHFFFAOYSA-N 0 0 282.840 3.743 10 0 CHAERN COc1ccc(C(=O)[C@@H]2CCC[C@H](C)C2)cc1F ZINC000055262671 523776462 /nfs/dbraw/zinc/77/64/62/523776462.db2.gz WDTCTUMOGOETQQ-WDEREUQCSA-N 0 0 250.313 3.843 10 0 CHAERN COc1ccc(C)cc1[C@@](C)(O)c1ccccc1C ZINC000055261268 523855451 /nfs/dbraw/zinc/85/54/51/523855451.db2.gz FIFHKSGYMOGKJI-KRWDZBQOSA-N 0 0 256.345 3.568 10 0 CHAERN CCc1ccc(-c2nc(Cl)cc(COC)n2)s1 ZINC000051716858 523861294 /nfs/dbraw/zinc/86/12/94/523861294.db2.gz GCLRFEJXCFDQCE-UHFFFAOYSA-N 0 0 268.769 3.567 10 0 CHAERN COC(=O)[C@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000048484916 523888260 /nfs/dbraw/zinc/88/82/60/523888260.db2.gz BNNWFOZGKGIUSB-JTQLQIEISA-N 0 0 252.379 3.638 10 0 CHAERN CC[C@H](C)COc1ccc2c(c1)OC(C)(C)CC2=O ZINC000050424665 523888569 /nfs/dbraw/zinc/88/85/69/523888569.db2.gz QCZAXKWBOFJBNX-NSHDSACASA-N 0 0 262.349 3.855 10 0 CHAERN CCc1ccc(CNc2cc(F)cc(F)c2F)o1 ZINC000061098111 523947521 /nfs/dbraw/zinc/94/75/21/523947521.db2.gz PQYPAFJSSCJKEQ-UHFFFAOYSA-N 0 0 255.239 3.871 10 0 CHAERN CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000153273811 523953804 /nfs/dbraw/zinc/95/38/04/523953804.db2.gz NJBWSXHCJGKSIC-QMTHXVAHSA-N 0 0 295.810 3.971 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC(F)(F)F)o1 ZINC000128435854 524034909 /nfs/dbraw/zinc/03/49/09/524034909.db2.gz RTEXPXZTLYJBBT-NSHDSACASA-N 0 0 289.297 3.848 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)CSC)o1 ZINC000128269128 524053351 /nfs/dbraw/zinc/05/33/51/524053351.db2.gz AIHYCGHVERUZGV-TZMCWYRMSA-N 0 0 295.448 3.895 10 0 CHAERN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189203618 524069036 /nfs/dbraw/zinc/06/90/36/524069036.db2.gz GRGLXILLUZZOBF-IUODEOHRSA-N 0 0 275.392 3.565 10 0 CHAERN COc1ccc(Cl)c(N[C@@H](C)c2cn(C)nc2C)c1 ZINC000087409521 524186465 /nfs/dbraw/zinc/18/64/65/524186465.db2.gz ANDGBTSCNWBHLH-VIFPVBQESA-N 0 0 279.771 3.564 10 0 CHAERN C[C@H]1CC[C@H](C(=O)N(c2ccccc2)C2CCCC2)O1 ZINC000155691990 524378662 /nfs/dbraw/zinc/37/86/62/524378662.db2.gz HKANIECTKCFGTR-XJKSGUPXSA-N 0 0 273.376 3.530 10 0 CHAERN Cc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000127786703 524453111 /nfs/dbraw/zinc/45/31/11/524453111.db2.gz RKTLUFBTNQBZEV-ZDUSSCGKSA-N 0 0 291.420 3.900 10 0 CHAERN Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1C ZINC000117560833 524651928 /nfs/dbraw/zinc/65/19/28/524651928.db2.gz LJXKCGUPRAEGHW-CXAGYDPISA-N 0 0 281.355 3.807 10 0 CHAERN COc1ccc(NCc2ccc(Br)o2)cc1C ZINC000049528241 524678730 /nfs/dbraw/zinc/67/87/30/524678730.db2.gz XFUHMVBZPSJGAM-UHFFFAOYSA-N 0 0 296.164 3.971 10 0 CHAERN C[C@H](Cc1ccsc1)n1c(=S)[nH]nc1C1CC1 ZINC000049184553 524763861 /nfs/dbraw/zinc/76/38/61/524763861.db2.gz BAPQQDFLVJPZNM-MRVPVSSYSA-N 0 0 265.407 3.683 10 0 CHAERN Cc1cc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000044692520 524766064 /nfs/dbraw/zinc/76/60/64/524766064.db2.gz XIZDNIXMQHOKGQ-AWEZNQCLSA-N 0 0 288.391 3.869 10 0 CHAERN Cc1ccc(F)c([C@H](O)C2(c3ccccc3)CC2)c1 ZINC000062780641 524836085 /nfs/dbraw/zinc/83/60/85/524836085.db2.gz YDKLFSHAMMBHCI-INIZCTEOSA-N 0 0 256.320 3.899 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000291615841 524915631 /nfs/dbraw/zinc/91/56/31/524915631.db2.gz ZJAPERQMXMUJIA-AAEUAGOBSA-N 0 0 293.798 3.840 10 0 CHAERN Cc1ccc(N2CC[C@H](c3ccccc3)C2)cc1N ZINC000061701945 524977305 /nfs/dbraw/zinc/97/73/05/524977305.db2.gz UUJLZHCLRYUXJF-HNNXBMFYSA-N 0 0 252.361 3.571 10 0 CHAERN Cc1cc(N(C)Cc2cccc(Cl)c2)ccc1CO ZINC000050582974 525029633 /nfs/dbraw/zinc/02/96/33/525029633.db2.gz RMQZUAZGPTXDGF-UHFFFAOYSA-N 0 0 275.779 3.777 10 0 CHAERN Cc1cc(N2CCc3sccc3[C@@H]2C)ccc1C=O ZINC000050575315 525095845 /nfs/dbraw/zinc/09/58/45/525095845.db2.gz XXZYCNHCUZSMHD-LBPRGKRZSA-N 0 0 271.385 3.993 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)ccc1OC(C)C ZINC000188078638 525233384 /nfs/dbraw/zinc/23/33/84/525233384.db2.gz FVUSKWHFIPENMT-ZFWWWQNUSA-N 0 0 291.391 3.536 10 0 CHAERN Cc1cc(NC(=O)[C@H]2CC[C@H](C)O2)ccc1C(F)(F)F ZINC000157788826 525234877 /nfs/dbraw/zinc/23/48/77/525234877.db2.gz NMXIPAJIPUDHIP-JOYOIKCWSA-N 0 0 287.281 3.520 10 0 CHAERN Cc1ccc(Oc2c(F)cc(CO)cc2F)cc1 ZINC000062722526 525472137 /nfs/dbraw/zinc/47/21/37/525472137.db2.gz PHLTUFXGIVEVEK-UHFFFAOYSA-N 0 0 250.244 3.558 10 0 CHAERN Cc1cc([C@@H](C)Nc2nc(Cl)nc(Cl)n2)c(C)o1 ZINC000061519002 525478974 /nfs/dbraw/zinc/47/89/74/525478974.db2.gz UZOVPNLAIYDIFC-ZCFIWIBFSA-N 0 0 287.150 3.561 10 0 CHAERN Cc1cc([C@H](C)Nc2cc(Cl)ncn2)c(C)s1 ZINC000049513782 525532560 /nfs/dbraw/zinc/53/25/60/525532560.db2.gz JXMZTGQIKCYITJ-QMMMGPOBSA-N 0 0 267.785 3.981 10 0 CHAERN C[C@H](Nc1ncnc(Cl)c1N)c1ccc(Cl)cc1 ZINC000061053256 525685808 /nfs/dbraw/zinc/68/58/08/525685808.db2.gz VXPALKMREDSJSA-ZETCQYMHSA-N 0 0 283.162 3.539 10 0 CHAERN Cc1ccc(-c2c(N)n(C)nc2C(C)(C)C)cc1C ZINC000061681264 525710213 /nfs/dbraw/zinc/71/02/13/525710213.db2.gz DIQYEIHPRGDJHJ-UHFFFAOYSA-N 0 0 257.381 3.584 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2F)o1 ZINC000053007668 525713696 /nfs/dbraw/zinc/71/36/96/525713696.db2.gz ZQNQFNYWLJVMJU-LLVKDONJSA-N 0 0 261.296 3.527 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2)o1 ZINC000127954840 525803269 /nfs/dbraw/zinc/80/32/69/525803269.db2.gz HPJBRBBNGVTXQJ-ZDUSSCGKSA-N 0 0 259.305 3.548 10 0 CHAERN C[C@H](O)c1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC000054933279 525851228 /nfs/dbraw/zinc/85/12/28/525851228.db2.gz ACDWHJNBYRWSQW-QMMMGPOBSA-N 0 0 268.234 3.950 10 0 CHAERN Cc1ccsc1CNC(=O)N[C@H]1CCc2ccccc21 ZINC000045544145 525855346 /nfs/dbraw/zinc/85/53/46/525855346.db2.gz DEEMWFCAVNLHHJ-AWEZNQCLSA-N 0 0 286.400 3.543 10 0 CHAERN C[C@H](O)c1ccc(N(CC(F)(F)F)C2CC2)c(Cl)c1 ZINC000061696806 525856696 /nfs/dbraw/zinc/85/66/96/525856696.db2.gz MHNVGORLEQPITK-QMMMGPOBSA-N 0 0 293.716 3.924 10 0 CHAERN C[C@H](O)c1ccc(N(C)CC2CCC2)c(Br)c1 ZINC000061697121 525857214 /nfs/dbraw/zinc/85/72/14/525857214.db2.gz PLXNCNNHJCHNQS-JTQLQIEISA-N 0 0 298.224 3.739 10 0 CHAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)C2)c(Br)c1 ZINC000061694694 525867821 /nfs/dbraw/zinc/86/78/21/525867821.db2.gz WVZLIRNIROUULO-GHMZBOCLSA-N 0 0 298.224 3.739 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)Cc2cccs2)o1 ZINC000077687909 525903112 /nfs/dbraw/zinc/90/31/12/525903112.db2.gz JTCUYKMPYAPQQA-PWSUYJOCSA-N 0 0 292.404 3.641 10 0 CHAERN CSc1ccc(-n2c(C)nc3cc(N)ccc32)cc1 ZINC000052842984 525948531 /nfs/dbraw/zinc/94/85/31/525948531.db2.gz LNHIYLRLPPOMOE-UHFFFAOYSA-N 0 0 269.373 3.638 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C)n2C)o1 ZINC000129187162 525992848 /nfs/dbraw/zinc/99/28/48/525992848.db2.gz UUIWMPCGMQYPOA-CQSZACIVSA-N 0 0 286.375 3.602 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)o1 ZINC000127965612 525993179 /nfs/dbraw/zinc/99/31/79/525993179.db2.gz QROVTLJPEDIJJM-HUUCEWRRSA-N 0 0 273.376 3.998 10 0 CHAERN C[C@@H](c1ccc(Br)cc1)N1CCCCC1=O ZINC000049525448 526037084 /nfs/dbraw/zinc/03/70/84/526037084.db2.gz URPPXBSMDVZWDS-JTQLQIEISA-N 0 0 282.181 3.523 10 0 CHAERN CSc1cccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085628383 526141627 /nfs/dbraw/zinc/14/16/27/526141627.db2.gz AWCCFXCPEZJZHV-IHRRRGAJSA-N 0 0 263.406 3.634 10 0 CHAERN CSc1cccc(N[C@H](C)c2cn(C)nc2C)c1 ZINC000087406388 526141684 /nfs/dbraw/zinc/14/16/84/526141684.db2.gz QQWKSUKJPXRSPL-SNVBAGLBSA-N 0 0 261.394 3.624 10 0 CHAERN Cc1ccc2c(c1)CCCN2c1cc(Cl)nc(C)n1 ZINC000052835459 526148056 /nfs/dbraw/zinc/14/80/56/526148056.db2.gz ZPHDISPTXOTWOV-UHFFFAOYSA-N 0 0 273.767 3.831 10 0 CHAERN Cc1cc(Br)ccc1N[C@H]1CCOC[C@@H]1C ZINC000195112625 526173383 /nfs/dbraw/zinc/17/33/83/526173383.db2.gz LUPBOKJSTRRVSN-GWCFXTLKSA-N 0 0 284.197 3.594 10 0 CHAERN Cc1csc(-c2ccc(NC(=O)N[C@@H]3C[C@@H]3C)cc2)n1 ZINC000076037145 526301810 /nfs/dbraw/zinc/30/18/10/526301810.db2.gz QNLHRCCWYBIKTN-TVQRCGJNSA-N 0 0 287.388 3.648 10 0 CHAERN O[C@H]1CCCCC[C@H]1c1ccccc1OC(F)(F)F ZINC000055230211 526302065 /nfs/dbraw/zinc/30/20/65/526302065.db2.gz HLYPEQPNBOIUIN-JQWIXIFHSA-N 0 0 274.282 3.994 10 0 CHAERN Oc1ccccc1OCc1c(F)cccc1Cl ZINC000049345642 526375300 /nfs/dbraw/zinc/37/53/00/526375300.db2.gz BVWSAGNKZMTHNO-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN S=c1[nH]cc(-c2ccccc2)n1Cc1nccs1 ZINC000049534514 526386343 /nfs/dbraw/zinc/38/63/43/526386343.db2.gz LVNODKWKOXMDKA-UHFFFAOYSA-N 0 0 273.386 3.717 10 0 CHAERN S=c1[nH]ccn1-c1ccc(N2CCCCC2)cc1 ZINC000057546563 526387142 /nfs/dbraw/zinc/38/71/42/526387142.db2.gz OINFTRWEAYUYNA-UHFFFAOYSA-N 0 0 259.378 3.525 10 0 CHAERN S=c1cc(-c2ccccc2)[nH]n1-c1ccccc1 ZINC000052304784 526389127 /nfs/dbraw/zinc/38/91/27/526389127.db2.gz LPRKMIQRGXJIHR-UHFFFAOYSA-N 0 0 252.342 3.828 10 0 CHAERN Cc1csc(N[C@@H](C)Cc2ccc(F)cc2)n1 ZINC000062054809 526394680 /nfs/dbraw/zinc/39/46/80/526394680.db2.gz SJVUQSKUTRGSOK-VIFPVBQESA-N 0 0 250.342 3.634 10 0 CHAERN c1ccc2c(c1)CC[C@@H]2Nc1nc2ccccc2o1 ZINC000042632342 526504936 /nfs/dbraw/zinc/50/49/36/526504936.db2.gz WRADTWKEYIAFGK-ZDUSSCGKSA-N 0 0 250.301 3.927 10 0 CHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H]1C[C@@H]1C ZINC000124368842 526679059 /nfs/dbraw/zinc/67/90/59/526679059.db2.gz KHTZBRIDYCGUAX-DLOVCJGASA-N 0 0 295.452 3.686 10 0 CHAERN Cc1nc(C)c([C@@H](C)n2c(=S)[nH]nc2C(C)C)s1 ZINC000049534028 526747008 /nfs/dbraw/zinc/74/70/08/526747008.db2.gz AOWKZSYZKPKBPO-MRVPVSSYSA-N 0 0 282.438 3.747 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2cccc(F)c2N)s1 ZINC000049533764 526756257 /nfs/dbraw/zinc/75/62/57/526756257.db2.gz VUVFAIQRCIIVIR-QMMMGPOBSA-N 0 0 265.357 3.654 10 0 CHAERN Cc1nc(Cl)cc(N2CCC[C@H]3CCCC[C@H]32)n1 ZINC000226127041 526933211 /nfs/dbraw/zinc/93/32/11/526933211.db2.gz ROAJLBNFFXGLPT-VXGBXAGGSA-N 0 0 265.788 3.597 10 0 CHAERN Clc1cc2ocnc2c(Cl)c1Br ZINC000062540416 526933147 /nfs/dbraw/zinc/93/31/47/526933147.db2.gz JSTUFDCHBMKASF-UHFFFAOYSA-N 0 0 266.909 3.897 10 0 CHAERN Cc1nc(Cl)cc(OCc2ccccc2Cl)n1 ZINC000052834839 526936100 /nfs/dbraw/zinc/93/61/00/526936100.db2.gz VXQPFPCUWWOWRS-UHFFFAOYSA-N 0 0 269.131 3.671 10 0 CHAERN O=C1CCCCCCN1Cc1nc(Cl)ccc1Cl ZINC000061638502 526971102 /nfs/dbraw/zinc/97/11/02/526971102.db2.gz XRELTOGPWXUQFE-UHFFFAOYSA-N 0 0 287.190 3.681 10 0 CHAERN Cc1nc([C@@H](C)Nc2nc(C)c(C)s2)cs1 ZINC000309818152 527035199 /nfs/dbraw/zinc/03/51/99/527035199.db2.gz VTYQYPUAWVWTOL-SSDOTTSWSA-N 0 0 253.396 3.698 10 0 CHAERN NC(=S)c1ccc(Oc2cccc(F)c2)c(Cl)c1 ZINC000062796417 527120923 /nfs/dbraw/zinc/12/09/23/527120923.db2.gz UBWUVGNODXUBJO-UHFFFAOYSA-N 0 0 281.739 3.906 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1 ZINC000052842773 527122091 /nfs/dbraw/zinc/12/20/91/527122091.db2.gz CTGQVXRHIUCOCI-UHFFFAOYSA-N 0 0 257.724 3.570 10 0 CHAERN Cc1nc2cc(OCc3cccs3)c(N)cc2s1 ZINC000049584518 527131415 /nfs/dbraw/zinc/13/14/15/527131415.db2.gz INTVJYWUDAXFLY-UHFFFAOYSA-N 0 0 276.386 3.827 10 0 CHAERN Cc1ncc(CNc2nnc(Cl)c3ccccc32)s1 ZINC000050530013 527282488 /nfs/dbraw/zinc/28/24/88/527282488.db2.gz NMVUXZYBZUPGKJ-UHFFFAOYSA-N 0 0 290.779 3.660 10 0 CHAERN CC(C)(c1noc([C@@H]2CCC[C@H](C(N)=O)C2)n1)C1CCC1 ZINC000333225937 527382927 /nfs/dbraw/zinc/38/29/27/527382927.db2.gz NCILAGOKAWQJJZ-WDEREUQCSA-N 0 0 291.395 3.956 10 0 CHAERN Nc1c2cc(Br)cc(F)c2nc2c1CCCC2 ZINC000050869868 527437445 /nfs/dbraw/zinc/43/74/45/527437445.db2.gz NGOSTORBVYEJHA-UHFFFAOYSA-N 0 0 295.155 3.597 10 0 CHAERN Nc1ccc(Br)c(C(=O)OC2CCCCC2)c1 ZINC000045624995 527466419 /nfs/dbraw/zinc/46/64/19/527466419.db2.gz BXGIGCCXSLJBDC-UHFFFAOYSA-N 0 0 298.180 3.521 10 0 CHAERN Nc1cccc(Cl)c1NC(=O)Cc1ccccc1Cl ZINC000050352541 527518417 /nfs/dbraw/zinc/51/84/17/527518417.db2.gz JETRIETVHDPOQW-UHFFFAOYSA-N 0 0 295.169 3.757 10 0 CHAERN Cc1nn(-c2ccccc2)c2oc3ccc(F)cc3c(=O)c12 ZINC000058102703 527556410 /nfs/dbraw/zinc/55/64/10/527556410.db2.gz KBPRBPHCEYQEBH-UHFFFAOYSA-N 0 0 294.285 3.579 10 0 CHAERN O=C(NCCC1=CCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000131099883 527621152 /nfs/dbraw/zinc/62/11/52/527621152.db2.gz HSHWWZCNAQEFCV-ZIAGYGMSSA-N 0 0 291.341 3.685 10 0 CHAERN O[C@@H](Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000049346736 527664232 /nfs/dbraw/zinc/66/42/32/527664232.db2.gz AXWAZSWRJDXWMI-AWEZNQCLSA-N 0 0 268.690 3.894 10 0 CHAERN O[C@@H](c1cccs1)C1(c2ccccc2)CCOCC1 ZINC000062783408 527666559 /nfs/dbraw/zinc/66/65/59/527666559.db2.gz DSXMCSLKYSFHPG-HNNXBMFYSA-N 0 0 274.385 3.530 10 0 CHAERN O[C@@H](c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000055201471 527667966 /nfs/dbraw/zinc/66/79/66/527667966.db2.gz IIMGKVHHYJCXGR-LLVKDONJSA-N 0 0 258.264 3.849 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc2ccc(C)nc21 ZINC000087409859 527700511 /nfs/dbraw/zinc/70/05/11/527700511.db2.gz OVAQJTAPIUNVMT-LBPRGKRZSA-N 0 0 280.375 3.758 10 0 CHAERN CC1(C)CC=C(c2nc(-c3cscn3)no2)CC1 ZINC000333785241 528892650 /nfs/dbraw/zinc/89/26/50/528892650.db2.gz CHRCHJYZJPBEFK-UHFFFAOYSA-N 0 0 261.350 3.787 10 0 CHAERN Fc1cc(NCC(F)(F)F)ccc1Br ZINC000083826567 567026562 /nfs/dbraw/zinc/02/65/62/567026562.db2.gz QUWRKPABGDWAFR-UHFFFAOYSA-N 0 0 272.039 3.562 10 0 CHAERN CC[C@H](C)[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@@H]1O ZINC000725267981 567924099 /nfs/dbraw/zinc/92/40/99/567924099.db2.gz DNBVSSKVKJQHAL-KNXALSJPSA-N 0 0 261.409 3.728 10 0 CHAERN Cc1cc2c(cnn2[C@@H]2CCCCO2)cc1Br ZINC000087493385 570254146 /nfs/dbraw/zinc/25/41/46/570254146.db2.gz CRDSGOQQAORQGB-ZDUSSCGKSA-N 0 0 295.180 3.806 10 0 CHAERN Fc1ccc(NCC(F)(F)F)cc1Br ZINC000135101500 567041188 /nfs/dbraw/zinc/04/11/88/567041188.db2.gz BAOAOPILXLPMJT-UHFFFAOYSA-N 0 0 272.039 3.562 10 0 CHAERN Oc1cc2c(Br)cccc2nc1C(F)(F)F ZINC000685963479 567210619 /nfs/dbraw/zinc/21/06/19/567210619.db2.gz PLYUTRSWGXHQOT-UHFFFAOYSA-N 0 0 292.054 3.722 10 0 CHAERN Brc1cccc(-c2n[nH]c3c2CSCC3)c1 ZINC000685952246 567209197 /nfs/dbraw/zinc/20/91/97/567209197.db2.gz BVESDRQHIUIFMP-UHFFFAOYSA-N 0 0 295.205 3.629 10 0 CHAERN Oc1cc2cccc(Br)c2nc1C1CCC1 ZINC000685962947 567210645 /nfs/dbraw/zinc/21/06/45/567210645.db2.gz BGUFMEROTDPFGS-UHFFFAOYSA-N 0 0 278.149 3.970 10 0 CHAERN COc1cccc2sc(-c3ccccc3)cc(=O)c12 ZINC000001585647 567838671 /nfs/dbraw/zinc/83/86/71/567838671.db2.gz ZDXFSBAMCGHZIK-UHFFFAOYSA-N 0 0 268.337 3.937 10 0 CHAERN O=C(C[C@H]1NC=Cc2ccccc21)c1cccs1 ZINC000005517415 567859604 /nfs/dbraw/zinc/85/96/04/567859604.db2.gz DBKFVPCUHZQHCM-CYBMUJFWSA-N 0 0 255.342 3.636 10 0 CHAERN C[C@H]1C[C@]2(C)[C@H](CC[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013467204 567866488 /nfs/dbraw/zinc/86/64/88/567866488.db2.gz DMSFWIJHZMGIJI-WDTHFRHYSA-N 0 0 286.415 3.855 10 0 CHAERN CC(C)C[C@H](C)OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019281645 567877482 /nfs/dbraw/zinc/87/74/82/567877482.db2.gz FORKMPPTBHJGLP-NSHDSACASA-N 0 0 298.814 3.702 10 0 CHAERN Cc1nn(-c2ccc(F)cc2)c(N)c1-c1ccc(C)cc1 ZINC000032918211 567886237 /nfs/dbraw/zinc/88/62/37/567886237.db2.gz RLCPRFHDLUPXNN-UHFFFAOYSA-N 0 0 281.334 3.877 10 0 CHAERN CCCCCCNc1cc(C(=O)OCC)c(N)cc1F ZINC000070469091 567887091 /nfs/dbraw/zinc/88/70/91/567887091.db2.gz ICSLZPQHZARPHI-UHFFFAOYSA-N 0 0 282.359 3.577 10 0 CHAERN Fc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 ZINC000041416316 567891391 /nfs/dbraw/zinc/89/13/91/567891391.db2.gz NNYBUYJFCKCZGQ-UHFFFAOYSA-N 0 0 276.620 3.955 10 0 CHAERN Cc1ccc(-c2cn3cc(Br)cc(C)c3n2)o1 ZINC000129853724 567899517 /nfs/dbraw/zinc/89/95/17/567899517.db2.gz HHJMYJZVPDYPCL-UHFFFAOYSA-N 0 0 291.148 3.974 10 0 CHAERN COC(=O)c1c2cc(OC)ccc2oc1C(C)(C)C ZINC000079016746 567906235 /nfs/dbraw/zinc/90/62/35/567906235.db2.gz XQVZAYMGDNHVRL-UHFFFAOYSA-N 0 0 262.305 3.526 10 0 CHAERN Cc1cc(-c2cc(Cl)cnc2F)cnc1Cl ZINC000725241519 567907762 /nfs/dbraw/zinc/90/77/62/567907762.db2.gz WAXRLVYTPMFHIO-UHFFFAOYSA-N 0 0 257.095 3.898 10 0 CHAERN Cc1nn(C)c(Cl)c1CSCC[Si](C)(C)C ZINC000725245441 567908168 /nfs/dbraw/zinc/90/81/68/567908168.db2.gz IMTMYFFSWYBHIB-UHFFFAOYSA-N 0 0 276.909 3.953 10 0 CHAERN CCCc1nc2cc(C)c(C(C)C)c(Cl)n2n1 ZINC000725245155 567908330 /nfs/dbraw/zinc/90/83/30/567908330.db2.gz AWKKPNLGFCADPM-UHFFFAOYSA-N 0 0 251.761 3.767 10 0 CHAERN CC(C)c1cc2nc(C(F)(F)F)nn2c(Cl)c1 ZINC000725245675 567908348 /nfs/dbraw/zinc/90/83/48/567908348.db2.gz DXWPLWAIIFPWAZ-UHFFFAOYSA-N 0 0 263.650 3.525 10 0 CHAERN CCc1c(C)cc2nc(C3CC(F)(F)C3)nn2c1Cl ZINC000725246784 567908439 /nfs/dbraw/zinc/90/84/39/567908439.db2.gz XAWCEHQIJSQMGH-UHFFFAOYSA-N 0 0 285.725 3.766 10 0 CHAERN CC(C)c1cc2nc(C(C)(C)C)nn2c(Cl)c1 ZINC000725246587 567908497 /nfs/dbraw/zinc/90/84/97/567908497.db2.gz QRKSALXSNUKLEU-UHFFFAOYSA-N 0 0 251.761 3.804 10 0 CHAERN COc1cc(OC)c(Cl)c(Br)c1Cl ZINC000098210187 567911605 /nfs/dbraw/zinc/91/16/05/567911605.db2.gz JWWIYVNGLBZQDG-UHFFFAOYSA-N 0 0 285.952 3.773 10 0 CHAERN CCC(C)(C)[C@@H]1CCC(=O)N[C@@H](C(F)(F)F)CC1 ZINC000725256018 567915360 /nfs/dbraw/zinc/91/53/60/567915360.db2.gz OUJPARISMVELPS-VHSXEESVSA-N 0 0 265.319 3.660 10 0 CHAERN CC(C)CCC1N=NC(=S)N1C1CCCCC1 ZINC000725265529 567923480 /nfs/dbraw/zinc/92/34/80/567923480.db2.gz JYVFKZMWWXOUQF-UHFFFAOYSA-N 0 0 253.415 3.661 10 0 CHAERN CCCCCC1N=NC(=S)N1C1CCCCC1 ZINC000725265552 567923660 /nfs/dbraw/zinc/92/36/60/567923660.db2.gz WPTYUHZXJBXWLG-UHFFFAOYSA-N 0 0 253.415 3.805 10 0 CHAERN C[C@H]1CCn2cc(-c3cccc(Br)c3)nc2C1 ZINC000258386942 567931033 /nfs/dbraw/zinc/93/10/33/567931033.db2.gz MZFUZJJXBJYQGN-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN Cc1cc(Br)c(Cl)c2cc(N)cnc12 ZINC000584882819 570229392 /nfs/dbraw/zinc/22/93/92/570229392.db2.gz UGLGYDVCHSKKMQ-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN CCc1cc2nc(C[C@@H](C)CC)nn2c(Br)c1 ZINC000725248387 570256139 /nfs/dbraw/zinc/25/61/39/570256139.db2.gz SWLPSYVASQJDCH-VIFPVBQESA-N 0 0 296.212 3.643 10 0 CHAERN CCn1c2cc(Cl)c(Cl)c(Cl)c2n(CC)c1=O ZINC000669371100 570350608 /nfs/dbraw/zinc/35/06/08/570350608.db2.gz WPZXNQMCVFOCLG-UHFFFAOYSA-N 0 0 293.581 3.803 10 0 CHAERN CCCN(CC)[S@](=O)(=N[C@@H](C)CC)c1cccc(N)c1 ZINC000675075472 570368083 /nfs/dbraw/zinc/36/80/83/570368083.db2.gz PIKXKARFAHGAPI-RNODOKPDSA-N 0 0 297.468 3.541 10 0 CHAERN CCCN(CC)[S@](=O)(=N[C@H](C)CC)c1cccc(N)c1 ZINC000675075476 570368150 /nfs/dbraw/zinc/36/81/50/570368150.db2.gz PIKXKARFAHGAPI-ZUOKHONESA-N 0 0 297.468 3.541 10 0 CHAERN O=Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000144379872 570381680 /nfs/dbraw/zinc/38/16/80/570381680.db2.gz WYIPEGIQFRQBAA-UHFFFAOYSA-N 0 0 274.135 3.789 10 0 CHAERN CCC(C)(C)CCC(=O)CNC(=O)OCc1ccccc1 ZINC000685960601 570406887 /nfs/dbraw/zinc/40/68/87/570406887.db2.gz UIYTXXKKCLTNKW-UHFFFAOYSA-N 0 0 291.391 3.698 10 0 CHAERN CCC(CC)CC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000406020141 570411747 /nfs/dbraw/zinc/41/17/47/570411747.db2.gz NAGOKRMXJLCSJV-ZDUSSCGKSA-N 0 0 291.391 3.697 10 0 CHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000004175377 574412236 /nfs/dbraw/zinc/41/22/36/574412236.db2.gz CBMYJHIOYJEBSB-FMKNUBLKSA-N 0 0 292.463 3.751 10 0 endogenous,in-man CHAERN CCC1(CC)CC[N@H+](Cc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000701826645 977044474 /nfs/dbraw/zinc/04/44/74/977044474.db2.gz AWCTXLMMWNPABT-UHFFFAOYSA-N 0 0 275.392 3.705 10 0 CHAERN CC(C)CCCC[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000703944485 977210588 /nfs/dbraw/zinc/21/05/88/977210588.db2.gz HBAGXOPWOKVMOL-UHFFFAOYSA-N 0 0 255.402 3.532 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1cc(C(=O)[O-])cs1 ZINC000721397782 978102276 /nfs/dbraw/zinc/10/22/76/978102276.db2.gz GPJHEQGURWDURG-UHFFFAOYSA-N 0 0 267.394 3.601 10 0 CHAERN Cc1ccc(N(C)C(=O)[C@H]2CCCc3cccnc32)c(C)c1 ZINC000194098668 1125550774 /nfs/dbraw/zinc/55/07/74/1125550774.db2.gz YMVPHFZTXFTNHL-INIZCTEOSA-N 0 0 294.398 3.781 10 0 CHAERN Fc1ccccc1-c1cc(C(F)F)nc(Cl)n1 ZINC000409427963 1118544121 /nfs/dbraw/zinc/54/41/21/1118544121.db2.gz DGLHXOHEGSYBBZ-UHFFFAOYSA-N 0 0 258.630 3.874 10 0 CHAERN C/C(=C/C(=O)OC1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000588448701 1118788318 /nfs/dbraw/zinc/78/83/18/1118788318.db2.gz XNPZZHQCOVZIHQ-KKVJWKPZSA-N 0 0 274.360 3.589 10 0 CHAERN CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C=C\c1ncccc1C ZINC000588453397 1118799164 /nfs/dbraw/zinc/79/91/64/1118799164.db2.gz VRINLANRZLWAQB-QVYGWLQZSA-N 0 0 286.419 3.830 10 0 CHAERN Cc1cncc(/C=C\C(=O)OC2(Cc3ccccc3)CC2)c1 ZINC000588492262 1118976491 /nfs/dbraw/zinc/97/64/91/1118976491.db2.gz GWEXAJWVAYILNM-FPLPWBNLSA-N 0 0 293.366 3.722 10 0 CHAERN O=C(/C=C\c1cccnc1)O[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000588492770 1118981193 /nfs/dbraw/zinc/98/11/93/1118981193.db2.gz KADXBZSYOXFPDJ-KQZJAPLZSA-N 0 0 271.360 3.607 10 0 CHAERN CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)c1nccs1 ZINC000588498262 1119003837 /nfs/dbraw/zinc/00/38/37/1119003837.db2.gz IEBYDNZXCYOHAG-JUDLJHIGSA-N 0 0 266.410 3.703 10 0 CHAERN CC[C@@H]1[C@@H](C)CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000588512528 1119049689 /nfs/dbraw/zinc/04/96/89/1119049689.db2.gz QXYHWKVZJQQHJK-QUOSMTFASA-N 0 0 294.398 3.895 10 0 CHAERN COC(C)(C)CCOC(=O)/C=C\c1ccnc2ccccc12 ZINC000588562212 1119266227 /nfs/dbraw/zinc/26/62/27/1119266227.db2.gz WEIPFZQVKFTCIH-HJWRWDBZSA-N 0 0 299.370 3.606 10 0 CHAERN C/C=C(/CC)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000588570727 1119322812 /nfs/dbraw/zinc/32/28/12/1119322812.db2.gz NCJLAVFNGPZROI-QMMNQCBRSA-N 0 0 269.344 3.842 10 0 CHAERN O=C(C/C=C\c1ccc(F)cc1)O[C@@H]1CCc2cccnc21 ZINC000588573870 1119332443 /nfs/dbraw/zinc/33/24/43/1119332443.db2.gz VZDTVXAZVQUIGM-SSCKWRJFSA-N 0 0 297.329 3.855 10 0 CHAERN O=C(C/C=C\c1ccc(F)cc1)O[C@H]1CCc2cccnc21 ZINC000588573871 1119332783 /nfs/dbraw/zinc/33/27/83/1119332783.db2.gz VZDTVXAZVQUIGM-SWQCVOCJSA-N 0 0 297.329 3.855 10 0 CHAERN C[C@@H]1CCCC[C@H]1c1noc([C@H]2CCCC(=O)N2)n1 ZINC000329588982 1119441605 /nfs/dbraw/zinc/44/16/05/1119441605.db2.gz NDEIOGDSVMRKRX-GMTAPVOTSA-N 0 0 263.341 3.545 10 0 CHAERN Cc1ccc(/C=C\CC(=O)Nc2ccc(F)nc2F)cc1 ZINC000588612268 1119585115 /nfs/dbraw/zinc/58/51/15/1119585115.db2.gz LBHDUZDHLXZQKM-IHWYPQMZSA-N 0 0 288.297 3.710 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NCc1ccc(F)cc1F ZINC000188949992 1120470022 /nfs/dbraw/zinc/47/00/22/1120470022.db2.gz LSHXJNIKYTZXBG-INIZCTEOSA-N 0 0 289.325 3.887 10 0 CHAERN CCN(CC)C(=O)c1cc(C[C@@H](C)c2ccccc2)no1 ZINC000299768582 1120647488 /nfs/dbraw/zinc/64/74/88/1120647488.db2.gz PHTGWRSNJOAHRZ-CYBMUJFWSA-N 0 0 286.375 3.503 10 0 CHAERN Cc1cc(C)cc(OC(=O)CCCc2ccccn2)c1 ZINC000103938031 1122967474 /nfs/dbraw/zinc/96/74/74/1122967474.db2.gz ZDMFEPJSDTYBHV-UHFFFAOYSA-N 0 0 269.344 3.627 10 0 CHAERN CC[C@@H](COC(=O)c1cc(C(C)=O)cn1C)c1ccccc1 ZINC000105775653 1123070770 /nfs/dbraw/zinc/07/07/70/1123070770.db2.gz RFFYDAOZSJIMOT-AWEZNQCLSA-N 0 0 299.370 3.578 10 0 CHAERN Cc1ccc(O)c(NC(=O)c2cccn2C2CCCC2)c1 ZINC000182698215 1123175961 /nfs/dbraw/zinc/17/59/61/1123175961.db2.gz IIBSQVVAPNNLPK-UHFFFAOYSA-N 0 0 284.359 3.870 10 0 CHAERN O=C(c1csc(C2CCCCC2)n1)N1C[C@@H]2CCC[C@H]21 ZINC000334578423 1123262455 /nfs/dbraw/zinc/26/24/55/1123262455.db2.gz JZPBVXNDEWGUMI-GXTWGEPZSA-N 0 0 290.432 3.815 10 0 CHAERN CC1(C)CCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000102918497 1123595380 /nfs/dbraw/zinc/59/53/80/1123595380.db2.gz VOAGTMTUCHHFCA-KBPBESRZSA-N 0 0 277.795 3.845 10 0 CHAERN c1nc(C2CC2)c(-c2nc(CC3=CCCC3)no2)s1 ZINC000329549956 1123620606 /nfs/dbraw/zinc/62/06/06/1123620606.db2.gz FIOBOPIVJOPNCJ-UHFFFAOYSA-N 0 0 273.361 3.723 10 0 CHAERN Cc1ccc2oc(-c3nc([C@H]4CC4(C)C)no3)cc2n1 ZINC000329576842 1123626330 /nfs/dbraw/zinc/62/63/30/1123626330.db2.gz OKSZORRMDIHFEX-SECBINFHSA-N 0 0 269.304 3.700 10 0 CHAERN Cc1cccc2[nH]cc(CCNC(=O)C3CCCCC3)c21 ZINC000103129956 1123784225 /nfs/dbraw/zinc/78/42/25/1123784225.db2.gz CONLFPLXMXAFAZ-UHFFFAOYSA-N 0 0 284.403 3.715 10 0 CHAERN Cc1nc(Cl)cc(N2CC=C(c3cccs3)CC2)n1 ZINC000301276156 1123886915 /nfs/dbraw/zinc/88/69/15/1123886915.db2.gz IWEWFSYEYYFDMY-UHFFFAOYSA-N 0 0 291.807 3.794 10 0 CHAERN CC[C@H](NC(=O)c1ccsc1Br)C(C)C ZINC000449807713 1124877455 /nfs/dbraw/zinc/87/74/55/1124877455.db2.gz WXDOMZFLEUGQDA-VIFPVBQESA-N 0 0 290.226 3.675 10 0 CHAERN CCCCN(Cc1ccccc1Cl)C(=O)CC ZINC000102614106 1125309656 /nfs/dbraw/zinc/30/96/56/1125309656.db2.gz PHPOZBHKXVMHIT-UHFFFAOYSA-N 0 0 253.773 3.879 10 0 CHAERN CC[C@@H](C)CC(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000191044059 1125322860 /nfs/dbraw/zinc/32/28/60/1125322860.db2.gz OAKVIDWXUBCYPD-LLVKDONJSA-N 0 0 280.437 3.594 10 0 CHAERN COc1ccccc1CCN(C)C(=O)c1cccc(C)c1C ZINC000104456156 1125386883 /nfs/dbraw/zinc/38/68/83/1125386883.db2.gz MKXWAKKTVBCWOZ-UHFFFAOYSA-N 0 0 297.398 3.627 10 0 CHAERN O=C(/C=C\c1ccccc1Cl)Nc1ccc(F)nc1F ZINC000588577034 1129652546 /nfs/dbraw/zinc/65/25/46/1129652546.db2.gz QCDSTFAZQZIELP-YVMONPNESA-N 0 0 294.688 3.665 10 0 CHAERN CC[C@@H](C)c1ccc(OC(=O)c2cscn2)cc1 ZINC000103329524 1129747666 /nfs/dbraw/zinc/74/76/66/1129747666.db2.gz FQXFTYXNBWGBMZ-SNVBAGLBSA-N 0 0 261.346 3.876 10 0 CHAERN Cc1oc(-c2cccs2)nc1CC(=O)OCC(C)(C)C ZINC000103700701 1132282746 /nfs/dbraw/zinc/28/27/46/1132282746.db2.gz LFXMBVUEGUIZNW-UHFFFAOYSA-N 0 0 293.388 3.843 10 0 CHAERN O=C1CCn2c1cc1c2ccc(Cl)c1Br ZINC000095626994 185016178 /nfs/dbraw/zinc/01/61/78/185016178.db2.gz YUZJCFXUWOGCQI-UHFFFAOYSA-N 0 0 284.540 3.644 10 0 CHAERN CC(C)OC(=O)N1CCCC(=O)c2ccc(Cl)cc21 ZINC000095626875 185016626 /nfs/dbraw/zinc/01/66/26/185016626.db2.gz RBIFMXJBFXPQGJ-UHFFFAOYSA-N 0 0 281.739 3.668 10 0 CHAERN CC(C)Oc1cc(OC2CC2)ccc1Br ZINC000095722105 185019888 /nfs/dbraw/zinc/01/98/88/185019888.db2.gz JLLCSHHUBGICSW-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CCOC(=O)Oc1nn(Cc2ccccc2)c2ccccc12 ZINC000095742427 185024683 /nfs/dbraw/zinc/02/46/83/185024683.db2.gz ZVCCLRIOIICUKD-UHFFFAOYSA-N 0 0 296.326 3.620 10 0 CHAERN CC(C)CCNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501774 178066217 /nfs/dbraw/zinc/06/62/17/178066217.db2.gz XOUWODAWCLQLAD-UHFFFAOYSA-N 0 0 267.682 3.607 10 0 CHAERN CCCCCNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501757 178066253 /nfs/dbraw/zinc/06/62/53/178066253.db2.gz GSPFNKZMPDQDJV-UHFFFAOYSA-N 0 0 267.682 3.751 10 0 CHAERN FC(F)(F)c1cc(NCc2ccccc2)nc(Cl)n1 ZINC000082501788 178066303 /nfs/dbraw/zinc/06/63/03/178066303.db2.gz MILYBATWCRSVAX-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN FC(F)(F)c1cncc(Cl)c1Br ZINC000095763745 185026114 /nfs/dbraw/zinc/02/61/14/185026114.db2.gz DXFJNMMCCARDPJ-UHFFFAOYSA-N 0 0 260.440 3.516 10 0 CHAERN CCc1nc(Cl)cc(N[C@H]2CCCC[C@H]2C)n1 ZINC000082509503 178076158 /nfs/dbraw/zinc/07/61/58/178076158.db2.gz QQZRTMQKLKHIRK-ZJUUUORDSA-N 0 0 253.777 3.683 10 0 CHAERN Cc1nc(-c2ccc(Cl)cc2Cl)ccc1N ZINC000082522183 178087906 /nfs/dbraw/zinc/08/79/06/178087906.db2.gz WFUBOXLTXFDBRN-UHFFFAOYSA-N 0 0 253.132 3.946 10 0 CHAERN O=C(OCc1ccccc1)C1C[C@H]2CC(F)(F)C[C@@H]2C1 ZINC000095835875 185029570 /nfs/dbraw/zinc/02/95/70/185029570.db2.gz QGEQRRMIWFCXSX-KBPBESRZSA-N 0 0 280.314 3.801 10 0 CHAERN CC[C@@H](CSC(F)(F)F)NC(=O)OC(C)(C)C ZINC000095918452 185030684 /nfs/dbraw/zinc/03/06/84/185030684.db2.gz FGEBZDHZUBWRBL-ZETCQYMHSA-N 0 0 273.320 3.543 10 0 CHAERN CC(C)(C)OC(=O)NCCCCSC(F)(F)F ZINC000095918457 185030501 /nfs/dbraw/zinc/03/05/01/185030501.db2.gz FGJDMAFZMIWCLU-UHFFFAOYSA-N 0 0 273.320 3.544 10 0 CHAERN CC[C@H](CSC(F)(F)F)NC(=O)OC(C)(C)C ZINC000095918453 185031185 /nfs/dbraw/zinc/03/11/85/185031185.db2.gz FGEBZDHZUBWRBL-SSDOTTSWSA-N 0 0 273.320 3.543 10 0 CHAERN COC(=O)c1cc(Cl)nc2cc(C(F)(F)F)ccc21 ZINC000095912937 185031264 /nfs/dbraw/zinc/03/12/64/185031264.db2.gz NNFUIJAWYRGVQA-UHFFFAOYSA-N 0 0 289.640 3.694 10 0 CHAERN CCOC(=O)c1cc2ccc(Cl)cc2c(OC(C)=O)c1 ZINC000095937552 185034134 /nfs/dbraw/zinc/03/41/34/185034134.db2.gz HFPTZERUMAQHQS-UHFFFAOYSA-N 0 0 292.718 3.595 10 0 CHAERN Cc1cc(C)cc(NC(=O)C(C)(C)c2ccc(N)cc2)c1 ZINC000082698318 178198153 /nfs/dbraw/zinc/19/81/53/178198153.db2.gz SFOJLGZGHGLNNL-UHFFFAOYSA-N 0 0 282.387 3.802 10 0 CHAERN COc1ccc(C(=O)Nc2ccccc2C(C)C)c(N)c1 ZINC000082698816 178199296 /nfs/dbraw/zinc/19/92/96/178199296.db2.gz YXSQIOLANHGCGT-UHFFFAOYSA-N 0 0 284.359 3.653 10 0 CHAERN CN[C@@H](Cc1cccc2ccccc21)C(F)(F)F ZINC000082717573 178232260 /nfs/dbraw/zinc/23/22/60/178232260.db2.gz MYFSYLIRRUJNOW-ZDUSSCGKSA-N 0 0 253.267 3.533 10 0 CHAERN CN[C@@H](Cc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000082717651 178233110 /nfs/dbraw/zinc/23/31/10/178233110.db2.gz UWFSYACFSWAFEJ-VIFPVBQESA-N 0 0 272.097 3.686 10 0 CHAERN Fc1cccc2c(Br)cnc(Cl)c12 ZINC000082767445 178281923 /nfs/dbraw/zinc/28/19/23/178281923.db2.gz VCQKAKNGDZTZHD-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN CNc1cccc2ccnc(OCc3ccccc3)c21 ZINC000082767698 178282565 /nfs/dbraw/zinc/28/25/65/178282565.db2.gz NGJVIYVETYKDQI-UHFFFAOYSA-N 0 0 264.328 3.856 10 0 CHAERN Oc1cccc(NCc2cc(F)cc(Cl)c2)c1 ZINC000083385643 178394640 /nfs/dbraw/zinc/39/46/40/178394640.db2.gz DFEITCSIUYTTNX-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN O=C(CCCOc1ccccc1)C(F)(F)C(F)(F)F ZINC000049112389 119003262 /nfs/dbraw/zinc/00/32/62/119003262.db2.gz UBHYINRSFYRPGI-UHFFFAOYSA-N 0 0 282.208 3.612 10 0 CHAERN CC[C@@H](Cc1ccc(C)cc1)Nc1nccc(C)n1 ZINC000301463308 529539607 /nfs/dbraw/zinc/53/96/07/529539607.db2.gz KCJDRVQBXJRYRZ-HNNXBMFYSA-N 0 0 255.365 3.527 10 0 CHAERN CCc1ccccc1CNc1cc(-c2nc(C)no2)ccn1 ZINC000301345140 529585515 /nfs/dbraw/zinc/58/55/15/529585515.db2.gz JLCWRKDKDZNDFX-UHFFFAOYSA-N 0 0 294.358 3.615 10 0 CHAERN FC(F)(F)c1ccc(CC2COC2)c(Br)c1 ZINC000097758281 185663425 /nfs/dbraw/zinc/66/34/25/185663425.db2.gz QMXMQQGCUYORKC-UHFFFAOYSA-N 0 0 295.098 3.657 10 0 CHAERN COc1cc(C)c(Cl)cc1CCCCC(C)=O ZINC000098129261 185691249 /nfs/dbraw/zinc/69/12/49/185691249.db2.gz OHYLMJRUGHWING-UHFFFAOYSA-N 0 0 254.757 3.959 10 0 CHAERN C[C@H]1CCc2ccccc2N1Cc1cccc(N)c1 ZINC000019803479 136578297 /nfs/dbraw/zinc/57/82/97/136578297.db2.gz UOWARQCTLFZEDY-ZDUSSCGKSA-N 0 0 252.361 3.610 10 0 CHAERN CCCCCN(c1nc(CC)c(C=O)s1)C(C)C ZINC000104175112 185916707 /nfs/dbraw/zinc/91/67/07/185916707.db2.gz QGKLPVXZLJVXCK-UHFFFAOYSA-N 0 0 268.426 3.923 10 0 CHAERN CC[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1C(N)=S ZINC000104251922 185943943 /nfs/dbraw/zinc/94/39/43/185943943.db2.gz LGLJJAJIRFFHAX-GWCFXTLKSA-N 0 0 280.412 3.841 10 0 CHAERN COc1ccc2c(c1Cl)CN([C@H]1CCCC[C@H]1C)C2=O ZINC000089210958 179755648 /nfs/dbraw/zinc/75/56/48/179755648.db2.gz JVKTYLPSMOYLFB-MFKMUULPSA-N 0 0 293.794 3.883 10 0 CHAERN Cc1ccc([C@H](C)O)c(OCc2cccc(F)c2)c1 ZINC000104345132 185976455 /nfs/dbraw/zinc/97/64/55/185976455.db2.gz ZUDNBNLDDCBGAV-LBPRGKRZSA-N 0 0 260.308 3.766 10 0 CHAERN C[C@@H]1CCCN(c2cc(Br)ccc2CO)CC1 ZINC000104364611 185985642 /nfs/dbraw/zinc/98/56/42/185985642.db2.gz POYCJWMTWKYQIN-LLVKDONJSA-N 0 0 298.224 3.568 10 0 CHAERN CCc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl ZINC000090415144 179983114 /nfs/dbraw/zinc/98/31/14/179983114.db2.gz BOAYDYGCRUKDMG-UHFFFAOYSA-N 0 0 282.170 3.835 10 0 CHAERN CN1CC[C@@H](c2ccccc2Sc2ccccc2)C(=O)C1 ZINC000090504917 179994643 /nfs/dbraw/zinc/99/46/43/179994643.db2.gz ZIGJHOMQUFMEJS-HNNXBMFYSA-N 0 0 297.423 3.826 10 0 CHAERN COc1ccc(C[C@@H](O)C[C@@H](C)C(C)(C)C)cc1 ZINC000104432900 186000653 /nfs/dbraw/zinc/00/06/53/186000653.db2.gz OEJFADQAIFQHDM-OCCSQVGLSA-N 0 0 250.382 3.671 10 0 CHAERN C[C@@H](NC(=O)C[C@H](C)C(C)(C)C)c1ccccc1N ZINC000104432703 186000815 /nfs/dbraw/zinc/00/08/15/186000815.db2.gz LFLOZCRAACXMLZ-NWDGAFQWSA-N 0 0 262.397 3.518 10 0 CHAERN COc1ccc(-c2ccc(O)c3ncccc23)cc1 ZINC000090547432 180000910 /nfs/dbraw/zinc/00/09/10/180000910.db2.gz IYZHCWBKIMLAPK-UHFFFAOYSA-N 0 0 251.285 3.616 10 0 CHAERN CCN(CC)c1nc(-c2ccccc2)ncc1Cl ZINC000090450291 179987053 /nfs/dbraw/zinc/98/70/53/179987053.db2.gz QADPVGQXTUGHSC-UHFFFAOYSA-N 0 0 261.756 3.643 10 0 CHAERN CCC(CC)[C@@H](C)N1C(=S)N=NC1c1ccccn1 ZINC000104444534 186004362 /nfs/dbraw/zinc/00/43/62/186004362.db2.gz XHVFQCXOXMSSOF-SNVBAGLBSA-N 0 0 276.409 3.626 10 0 CHAERN Cc1c(Cl)nnc(NCC2(C)CCCC2)c1C ZINC000104447492 186005618 /nfs/dbraw/zinc/00/56/18/186005618.db2.gz LQQOQGNFJYJDPA-UHFFFAOYSA-N 0 0 253.777 3.739 10 0 CHAERN F[C@@H]1Oc2cc(Cl)c(Cl)cc2OC1(F)F ZINC000091252139 180114205 /nfs/dbraw/zinc/11/42/05/180114205.db2.gz LNKLSARNVLCRPV-SSDOTTSWSA-N 0 0 259.010 3.653 10 0 CHAERN C[C@H](O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000091252070 180114270 /nfs/dbraw/zinc/11/42/70/180114270.db2.gz ZAMLJWRQAZAASU-YFKPBYRVSA-N 0 0 269.060 3.521 10 0 CHAERN FC(F)(F)C(F)(F)S/C=C/Br ZINC000091252529 180114641 /nfs/dbraw/zinc/11/46/41/180114641.db2.gz TVTFXVNPCYIQIN-OWOJBTEDSA-N 0 0 257.021 3.741 10 0 CHAERN Brc1cnc2c(-c3ccccc3)cccn12 ZINC000091301234 180128539 /nfs/dbraw/zinc/12/85/39/180128539.db2.gz XVPKEQJATSNVSE-UHFFFAOYSA-N 0 0 273.133 3.764 10 0 CHAERN Clc1nc2c(c(Cl)n1)CC[C@H]2c1ccccc1 ZINC000091691397 180227669 /nfs/dbraw/zinc/22/76/69/180227669.db2.gz IPFZARHKKQXZPN-VIFPVBQESA-N 0 0 265.143 3.862 10 0 CHAERN Oc1ccc(/C=C\CC[C@H](O)CCc2ccc(O)cc2)cc1 ZINC000108646254 186224757 /nfs/dbraw/zinc/22/47/57/186224757.db2.gz HLWUXTFOZZSNLD-MPXGXIRNSA-N 0 0 298.382 3.885 10 0 CHAERN Nc1nc(-c2ccccc2Cl)nc2c1CCCCC2 ZINC000109521730 186259342 /nfs/dbraw/zinc/25/93/42/186259342.db2.gz CEMMDFSMYNZKBR-UHFFFAOYSA-N 0 0 273.767 3.648 10 0 CHAERN COC(=O)c1cccc(Oc2ccc(Cl)cc2Cl)n1 ZINC000137289924 187895757 /nfs/dbraw/zinc/89/57/57/187895757.db2.gz HRUSMDNNDIWCSI-UHFFFAOYSA-N 0 0 298.125 3.967 10 0 CHAERN Fc1cc2nccc(Br)c2cc1Cl ZINC000157500549 188321538 /nfs/dbraw/zinc/32/15/38/188321538.db2.gz PWVDTYMYFOHCRK-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN COc1ccc(C2=C(C)C(=O)O[C@@H](c3ccccc3)O2)cc1 ZINC000000053760 169519270 /nfs/dbraw/zinc/51/92/70/169519270.db2.gz MAPKFJODARTRNS-SFHVURJKSA-N 0 0 296.322 3.698 10 0 CHAERN COc1cc([C@H](O)C2CCCC2)cc(Cl)c1OC ZINC000037895528 184544208 /nfs/dbraw/zinc/54/42/08/184544208.db2.gz XFDDEGQRPTXIJM-CYBMUJFWSA-N 0 0 270.756 3.581 10 0 CHAERN CCn1c(C)nnc1CS[C@H]1CCCc2ccccc21 ZINC000171412918 335065392 /nfs/dbraw/zinc/06/53/92/335065392.db2.gz KFYDIGCJHUIXFC-HNNXBMFYSA-N 0 0 287.432 3.917 10 0 CHAERN CC[C@@H]1CCCN(c2cc(Br)ccc2C=O)C1 ZINC000036169926 134808220 /nfs/dbraw/zinc/80/82/20/134808220.db2.gz SQVKVMGDIYVUFK-LLVKDONJSA-N 0 0 296.208 3.888 10 0 CHAERN CN(C)c1ccc(CCc2ccc(N(C)C)cc2)cc1 ZINC000002521533 169801471 /nfs/dbraw/zinc/80/14/71/169801471.db2.gz KTSAZBIMVPAQNB-UHFFFAOYSA-N 0 0 268.404 3.604 10 0 CHAERN CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1 ZINC000003318575 169878202 /nfs/dbraw/zinc/87/82/02/169878202.db2.gz KNYPOYUCNMSPSA-UHFFFAOYSA-N 0 0 296.395 3.788 10 0 CHAERN CCCc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1 ZINC000004377681 169963453 /nfs/dbraw/zinc/96/34/53/169963453.db2.gz LJLUHCWJHIETCP-KCXAZCMYSA-N 0 0 285.387 3.565 10 0 CHAERN CN(C)c1ccc(N(N=O)c2ccc(N(C)C)cc2)cc1 ZINC000004707298 170003005 /nfs/dbraw/zinc/00/30/05/170003005.db2.gz FARCMEHOSGOTJZ-UHFFFAOYSA-N 0 0 284.363 3.638 10 0 CHAERN Clc1ccccc1Nc1nc2ccccc2n2cnnc12 ZINC000004823174 170023842 /nfs/dbraw/zinc/02/38/42/170023842.db2.gz ABKGPDJIBXZGJG-UHFFFAOYSA-N 0 0 295.733 3.675 10 0 CHAERN COc1ccc(COc2ccc(Cl)cc2)cc1OC ZINC000005064203 170063061 /nfs/dbraw/zinc/06/30/61/170063061.db2.gz BYBNWFSDDAHGPG-UHFFFAOYSA-N 0 0 278.735 3.936 10 0 CHAERN CC(C)O[C@@H](c1ccccc1O)[C@H](O)c1ccccc1 ZINC000005284768 170082664 /nfs/dbraw/zinc/08/26/64/170082664.db2.gz BDPGFDOURDYTPF-SJORKVTESA-N 0 0 272.344 3.592 10 0 CHAERN CCO[C@@H](c1ccc(C)cc1)[C@H](O)c1ccccc1 ZINC000005474784 170102795 /nfs/dbraw/zinc/10/27/95/170102795.db2.gz KCVWBZONGDKVCI-SJORKVTESA-N 0 0 256.345 3.806 10 0 CHAERN CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1C ZINC000005548728 170111983 /nfs/dbraw/zinc/11/19/83/170111983.db2.gz DJEIONRLTCHWSI-UHFFFAOYSA-N 0 0 282.343 3.514 10 0 CHAERN Nc1nc(-c2ccccc2Cl)nc2ccccc12 ZINC000005595537 170117704 /nfs/dbraw/zinc/11/77/04/170117704.db2.gz RVXKCACCHHOFFA-UHFFFAOYSA-N 0 0 255.708 3.532 10 0 CHAERN Cc1cc2ncn(C(=O)CCc3ccccc3)c2cc1C ZINC000005681017 170127875 /nfs/dbraw/zinc/12/78/75/170127875.db2.gz GCWDBBSTVBAEPZ-UHFFFAOYSA-N 0 0 278.355 3.926 10 0 CHAERN Cc1cc2ncn(C(=O)Cc3cccs3)c2cc1C ZINC000005681038 170128006 /nfs/dbraw/zinc/12/80/06/170128006.db2.gz AMVJWQZFIGEPOG-UHFFFAOYSA-N 0 0 270.357 3.598 10 0 CHAERN CC1(C)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000005699159 170130539 /nfs/dbraw/zinc/13/05/39/170130539.db2.gz ZBNJFYQJKLRIAA-MRXNPFEDSA-N 0 0 265.356 3.796 10 0 CHAERN O=C1c2cccn2-c2ccccc2O[C@@H]1c1ccccc1 ZINC000005939181 170159182 /nfs/dbraw/zinc/15/91/82/170159182.db2.gz QZTKUZOCHYJNES-GOSISDBHSA-N 0 0 275.307 3.794 10 0 CHAERN Clc1ccc(Sc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000005974144 170164594 /nfs/dbraw/zinc/16/45/94/170164594.db2.gz IBUDBVNCLHOJOO-UHFFFAOYSA-N 0 0 297.170 3.811 10 0 CHAERN O[C@H](c1nc2ccccc2o1)c1c(F)cccc1Cl ZINC000006118713 170177212 /nfs/dbraw/zinc/17/72/12/170177212.db2.gz VVNXWNHZASBRLV-ZDUSSCGKSA-N 0 0 277.682 3.702 10 0 CHAERN CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1CC ZINC000006123379 170178112 /nfs/dbraw/zinc/17/81/12/170178112.db2.gz IWUCOKDDCGQWSQ-UHFFFAOYSA-N 0 0 297.420 3.780 10 0 CHAERN CCCNC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000006264888 170186811 /nfs/dbraw/zinc/18/68/11/170186811.db2.gz VNBUDUSKXOFXLA-UHFFFAOYSA-N 0 0 298.430 3.689 10 0 CHAERN C[C@H](Nc1ccc(Cl)cc1)C(=O)NC1CCCCC1 ZINC000006285254 170188251 /nfs/dbraw/zinc/18/82/51/170188251.db2.gz VGOJQWOZQOLEJM-NSHDSACASA-N 0 0 280.799 3.589 10 0 CHAERN Cc1ccc(OCCC(=O)Nc2cccc(C)c2)cc1 ZINC000006339126 170193449 /nfs/dbraw/zinc/19/34/49/170193449.db2.gz MCGHYJKAESEJQU-UHFFFAOYSA-N 0 0 269.344 3.711 10 0 CHAERN CN(C)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000006420173 170200103 /nfs/dbraw/zinc/20/01/03/170200103.db2.gz VJKRHGZPBZSGLO-UHFFFAOYSA-N 0 0 298.773 3.915 10 0 CHAERN O=[S@]1c2ccccc2SN1CC1CCCCC1 ZINC000006583369 170215831 /nfs/dbraw/zinc/21/58/31/170215831.db2.gz KXDGIZQRVPGGHH-QGZVFWFLSA-N 0 0 267.419 3.612 10 0 CHAERN CC(C)CNc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000006671398 170224833 /nfs/dbraw/zinc/22/48/33/170224833.db2.gz MCSZVELTPJFXQN-UHFFFAOYSA-N 0 0 290.388 3.649 10 0 CHAERN O=c1cc(-c2ccccc2)c2c([nH]nc2-c2ccccc2)[nH]1 ZINC000006718605 170231871 /nfs/dbraw/zinc/23/18/71/170231871.db2.gz SDHIVMJKZPHEJS-UHFFFAOYSA-N 0 0 287.322 3.585 10 0 CHAERN CC(C)c1nnc(SCc2cccc(Cl)c2)[nH]1 ZINC000006782181 170242856 /nfs/dbraw/zinc/24/28/56/170242856.db2.gz CZYDOPGFDPSDEG-UHFFFAOYSA-N 0 0 267.785 3.874 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)cc1C ZINC000007222977 170272927 /nfs/dbraw/zinc/27/29/27/170272927.db2.gz LBTBDBCQPBNHHI-AWEZNQCLSA-N 0 0 274.408 3.553 10 0 CHAERN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC)c2)cc1 ZINC000008106546 170319289 /nfs/dbraw/zinc/31/92/89/170319289.db2.gz JBRFNURACNPZRA-ZDUSSCGKSA-N 0 0 299.370 3.664 10 0 CHAERN Cc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000008277238 170328617 /nfs/dbraw/zinc/32/86/17/170328617.db2.gz NXNQBARDRLFLSP-FCBZUWDESA-N 0 0 257.377 3.703 10 0 CHAERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccc(F)cc1 ZINC000008277138 170328665 /nfs/dbraw/zinc/32/86/65/170328665.db2.gz UOQSWQOQLXOHPI-QBGAIBADSA-N 0 0 261.340 3.534 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)NCc1ccccc1 ZINC000008548384 170339453 /nfs/dbraw/zinc/33/94/53/170339453.db2.gz YDRFRMQKQAICAM-UHFFFAOYSA-N 0 0 294.329 3.612 10 0 CHAERN C[C@H]1CCCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000008597022 170342230 /nfs/dbraw/zinc/34/22/30/170342230.db2.gz OYWDKKRYPQSBNX-LBPRGKRZSA-N 0 0 293.370 3.588 10 0 CHAERN Cc1ccc(NCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000008701241 170346749 /nfs/dbraw/zinc/34/67/49/170346749.db2.gz HKXYQQKXYKORQM-UHFFFAOYSA-N 0 0 251.333 3.792 10 0 CHAERN Nc1nnc(CSc2ccc3ccccc3c2)s1 ZINC000008727003 170350019 /nfs/dbraw/zinc/35/00/19/170350019.db2.gz NCWYQUXNSHSWEY-UHFFFAOYSA-N 0 0 273.386 3.566 10 0 CHAERN Cc1[nH]c2ccc(C(=O)Nc3ccc(C)cn3)cc2c1C ZINC000009116804 170364272 /nfs/dbraw/zinc/36/42/72/170364272.db2.gz UALZTEQZQOCRGI-UHFFFAOYSA-N 0 0 279.343 3.740 10 0 CHAERN Cc1cc(C)nc(SCC(=O)c2cc3ccccc3o2)n1 ZINC000009146210 170364653 /nfs/dbraw/zinc/36/46/53/170364653.db2.gz SGJKZLSVQCEERO-UHFFFAOYSA-N 0 0 298.367 3.815 10 0 CHAERN CCOC(=O)c1sc(-c2ccc3c(c2)CCC3)cc1N ZINC000009189781 170365778 /nfs/dbraw/zinc/36/57/78/170365778.db2.gz BYCMMHJXRYSMKV-UHFFFAOYSA-N 0 0 287.384 3.663 10 0 CHAERN Cc1cc(C=O)c(C)n1CCOc1ccccc1Cl ZINC000009246147 170368288 /nfs/dbraw/zinc/36/82/88/170368288.db2.gz SBCSQMJTLXWWMD-UHFFFAOYSA-N 0 0 277.751 3.650 10 0 CHAERN CC(C)n1cc(-c2csc(N)n2)c2ccccc21 ZINC000009280100 170369692 /nfs/dbraw/zinc/36/96/92/170369692.db2.gz ZUHSYECIAQMUAO-UHFFFAOYSA-N 0 0 257.362 3.928 10 0 CHAERN CC(C)c1ccc2nc(NC(=O)c3ccno3)sc2c1 ZINC000009704350 170384870 /nfs/dbraw/zinc/38/48/70/170384870.db2.gz AAUDHPOPSQGPCR-UHFFFAOYSA-N 0 0 287.344 3.660 10 0 CHAERN CC(=O)c1nc2ccccc2n1C(=O)c1ccccc1Cl ZINC000010151028 170398735 /nfs/dbraw/zinc/39/87/35/170398735.db2.gz NXBUSFMAIQGAGM-UHFFFAOYSA-N 0 0 298.729 3.581 10 0 CHAERN CC1(C)Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000013525499 170558292 /nfs/dbraw/zinc/55/82/92/170558292.db2.gz OFCVHJABPZEDFW-UHFFFAOYSA-N 0 0 261.268 3.528 10 0 CHAERN CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000013586468 170566294 /nfs/dbraw/zinc/56/62/94/170566294.db2.gz ZDCIIHIXQUEUCV-UHFFFAOYSA-N 0 0 289.338 3.769 10 0 in-vivo CHAERN COc1cccc(/C=C/C(=O)NC2CCCCCC2)c1 ZINC000015617696 170672839 /nfs/dbraw/zinc/67/28/39/170672839.db2.gz CUMFCBFLENQXSK-VAWYXSNFSA-N 0 0 273.376 3.547 10 0 CHAERN Nc1ccc(SCCC(=O)Nc2ccccc2F)cc1 ZINC000017022395 170722007 /nfs/dbraw/zinc/72/20/07/170722007.db2.gz ATLFIHXMNYDNCR-UHFFFAOYSA-N 0 0 290.363 3.529 10 0 CHAERN CCOc1c(Cl)cc(C(=O)NCC(C)C)cc1Cl ZINC000018051850 170741003 /nfs/dbraw/zinc/74/10/03/170741003.db2.gz NIUZVDLUMBBUSM-UHFFFAOYSA-N 0 0 290.190 3.778 10 0 CHAERN Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(N)c1 ZINC000019255422 170758657 /nfs/dbraw/zinc/75/86/57/170758657.db2.gz PEICGDUOCOAJOL-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc2c1CCCN2 ZINC000019271820 170767246 /nfs/dbraw/zinc/76/72/46/170767246.db2.gz GMYXBVJPRDKVAZ-MJBXVCDLSA-N 0 0 284.403 3.810 10 0 CHAERN Nc1cccc(OCc2cc(Br)ccc2F)c1 ZINC000019401700 170785177 /nfs/dbraw/zinc/78/51/77/170785177.db2.gz KKUJWHJJNNLJAG-UHFFFAOYSA-N 0 0 296.139 3.749 10 0 CHAERN Cc1cc(OCc2ccc(Br)cc2)ccc1N ZINC000019476813 170807718 /nfs/dbraw/zinc/80/77/18/170807718.db2.gz HMEIGYXPJNILHN-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Cc1ccc([C@H](c2ccccc2)n2nccc2N)c(C)c1 ZINC000019689364 170841514 /nfs/dbraw/zinc/84/15/14/170841514.db2.gz JCHFHNZWIOMCRQ-SFHVURJKSA-N 0 0 277.371 3.720 10 0 CHAERN Brc1ccccc1Oc1nccs1 ZINC000019802604 170871062 /nfs/dbraw/zinc/87/10/62/170871062.db2.gz MBFUYNNBFWIVQH-UHFFFAOYSA-N 0 0 256.124 3.698 10 0 CHAERN CC[C@@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000019806493 170875379 /nfs/dbraw/zinc/87/53/79/170875379.db2.gz BYCSNZUGYCGHKT-CYBMUJFWSA-N 0 0 252.317 3.952 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1Sc1ccccn1 ZINC000019845595 170893808 /nfs/dbraw/zinc/89/38/08/170893808.db2.gz DJZRHDJACGPBQN-UHFFFAOYSA-N 0 0 270.279 3.834 10 0 CHAERN CC(=O)c1cc(F)ccc1N1CCc2ccccc21 ZINC000019871097 170901522 /nfs/dbraw/zinc/90/15/22/170901522.db2.gz UKLFVQHKYBEZDJ-UHFFFAOYSA-N 0 0 255.292 3.723 10 0 CHAERN Cc1c(Cl)cccc1N[C@@H]1COc2cc(O)ccc21 ZINC000019905512 170917593 /nfs/dbraw/zinc/91/75/93/170917593.db2.gz OCLKUBSCBRBALB-CQSZACIVSA-N 0 0 275.735 3.900 10 0 CHAERN Oc1ccc2c(c1)OC[C@H]2Nc1cccc2c1CCCC2 ZINC000019906217 170918272 /nfs/dbraw/zinc/91/82/72/170918272.db2.gz XVFRWSDTZMVXNK-QGZVFWFLSA-N 0 0 281.355 3.817 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)OCO2)c1c(F)cccc1F ZINC000019966246 170947704 /nfs/dbraw/zinc/94/77/04/170947704.db2.gz IPZWZMYGCZUCAT-SECBINFHSA-N 0 0 277.270 3.867 10 0 CHAERN FC(F)(F)c1cc(Cl)ccc1NC[C@H]1CCCO1 ZINC000020046657 170977990 /nfs/dbraw/zinc/97/79/90/170977990.db2.gz XIKNTJUZBKFPFR-SECBINFHSA-N 0 0 279.689 3.950 10 0 CHAERN Cc1cc(=O)oc2cc(Oc3ccc(C=O)cc3)ccc12 ZINC000020079646 170985672 /nfs/dbraw/zinc/98/56/72/170985672.db2.gz SJTHFWLHDVEPHJ-UHFFFAOYSA-N 0 0 280.279 3.706 10 0 CHAERN CSCCCNc1ccc(OC(F)(F)F)cc1 ZINC000020088775 170989018 /nfs/dbraw/zinc/98/90/18/170989018.db2.gz CYOBVIJALWOLQP-UHFFFAOYSA-N 0 0 265.300 3.750 10 0 CHAERN Cc1nn(C)c(C)c1NCc1cccc2ccccc21 ZINC000020134541 171022602 /nfs/dbraw/zinc/02/26/02/171022602.db2.gz CQENSYHYVIMAQS-UHFFFAOYSA-N 0 0 265.360 3.802 10 0 CHAERN Fc1ccc(CNCc2nc3ccccc3s2)c(F)c1 ZINC000020135915 171023177 /nfs/dbraw/zinc/02/31/77/171023177.db2.gz OCEGNDXRWQBEKK-UHFFFAOYSA-N 0 0 290.338 3.864 10 0 CHAERN Cc1cccc(C)c1Nc1nc2ccccc2c2nncn21 ZINC000020177921 171042928 /nfs/dbraw/zinc/04/29/28/171042928.db2.gz OYRSWJXKKKKHBT-UHFFFAOYSA-N 0 0 289.342 3.638 10 0 CHAERN CCOc1ccc([C@H](C)NCc2ccco2)cc1F ZINC000020177220 171043088 /nfs/dbraw/zinc/04/30/88/171043088.db2.gz SIFSLGAHJXOURH-NSHDSACASA-N 0 0 263.312 3.668 10 0 CHAERN CC(C)c1ccc(NC(=O)Cc2cccc(N)c2)cc1 ZINC000020186070 171049286 /nfs/dbraw/zinc/04/92/86/171049286.db2.gz ZFTJQQAEAMIRTD-UHFFFAOYSA-N 0 0 268.360 3.573 10 0 CHAERN CCN(Cc1ccc(N)cc1Cl)c1ccccc1 ZINC000020192792 171058871 /nfs/dbraw/zinc/05/88/71/171058871.db2.gz XCHIBYCHGJPWEF-UHFFFAOYSA-N 0 0 260.768 3.949 10 0 CHAERN CCOc1ccccc1[C@H](C)Nc1cccc(O)c1 ZINC000020193797 171059509 /nfs/dbraw/zinc/05/95/09/171059509.db2.gz OPYHRJMYNMKTRH-LBPRGKRZSA-N 0 0 257.333 3.964 10 0 CHAERN CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(O)cc1 ZINC000020210554 171074108 /nfs/dbraw/zinc/07/41/08/171074108.db2.gz SMHLROQMEFUTBJ-UHFFFAOYSA-N 0 0 296.153 3.976 10 0 CHAERN Nc1cc(Cl)ccc1NC(=O)CC1CCCCC1 ZINC000020248864 171101979 /nfs/dbraw/zinc/10/19/79/171101979.db2.gz YDQIDZTXDINOTP-UHFFFAOYSA-N 0 0 266.772 3.831 10 0 CHAERN Cc1ccc(N[C@@H](C)C(=O)NC2CCCCC2)c(Cl)c1 ZINC000020301068 171138963 /nfs/dbraw/zinc/13/89/63/171138963.db2.gz KCXAWTGIELHLBI-LBPRGKRZSA-N 0 0 294.826 3.898 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2)c(F)c1 ZINC000020359924 171158600 /nfs/dbraw/zinc/15/86/00/171158600.db2.gz GNSMJRVGBVXOAC-GFCCVEGCSA-N 0 0 272.323 3.573 10 0 CHAERN CCCCNC(=O)[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000020366601 171165181 /nfs/dbraw/zinc/16/51/81/171165181.db2.gz UBRKAARTPCNXCP-SECBINFHSA-N 0 0 289.206 3.710 10 0 CHAERN CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020366363 171165185 /nfs/dbraw/zinc/16/51/85/171165185.db2.gz BILVRCHLFWUJGA-IUCAKERBSA-N 0 0 289.206 3.709 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccccc1C(C)C ZINC000020368047 171166537 /nfs/dbraw/zinc/16/65/37/171166537.db2.gz RBMHXHSRBVCVSI-ZDUSSCGKSA-N 0 0 276.424 3.915 10 0 CHAERN Nc1cnccc1Oc1ccc(Br)cc1Cl ZINC000020372793 171168840 /nfs/dbraw/zinc/16/88/40/171168840.db2.gz LKEJKWSLMUQAQL-UHFFFAOYSA-N 0 0 299.555 3.872 10 0 CHAERN COc1ccc(CNc2ccc(Cl)cc2N)cc1 ZINC000020382779 171173180 /nfs/dbraw/zinc/17/31/80/171173180.db2.gz ZJTBQWYVIVBEMR-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN Nc1cccc(Cl)c1NCc1ccc(F)cc1 ZINC000020383586 171174437 /nfs/dbraw/zinc/17/44/37/171174437.db2.gz QPZGOJXIAKPCOJ-UHFFFAOYSA-N 0 0 250.704 3.673 10 0 CHAERN CCOc1ccc(Oc2ccc(C(=O)OC)cc2)cc1 ZINC000020391070 171179676 /nfs/dbraw/zinc/17/96/76/171179676.db2.gz FHSCXIPRZKZBIA-UHFFFAOYSA-N 0 0 272.300 3.664 10 0 CHAERN CC(C)(C)c1ccc(OCc2csc(N)n2)cc1 ZINC000020393073 171180256 /nfs/dbraw/zinc/18/02/56/171180256.db2.gz QEFJIRHUNNXGFQ-UHFFFAOYSA-N 0 0 262.378 3.602 10 0 CHAERN Nc1ccc2nc(CCCc3cccs3)oc2c1 ZINC000020424054 171190945 /nfs/dbraw/zinc/19/09/45/171190945.db2.gz FHOJSFQTBPNFPF-UHFFFAOYSA-N 0 0 258.346 3.647 10 0 CHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccc(Cl)c1F ZINC000020472215 171215055 /nfs/dbraw/zinc/21/50/55/171215055.db2.gz UIONQMPXCAYAQV-LBPRGKRZSA-N 0 0 279.698 3.730 10 0 CHAERN Nc1ccc(Sc2nc3ccccc3o2)c(F)c1 ZINC000020474991 171219155 /nfs/dbraw/zinc/21/91/55/171219155.db2.gz MZUCSICSVDUSSK-UHFFFAOYSA-N 0 0 260.293 3.700 10 0 CHAERN CC[C@@H](C)Nc1ccccc1I ZINC000020479864 171221569 /nfs/dbraw/zinc/22/15/69/171221569.db2.gz VSRUNRWDVQWNMO-MRVPVSSYSA-N 0 0 275.133 3.502 10 0 CHAERN OCc1ccc2ccn(Cc3ccccc3Cl)c2c1 ZINC000020495206 171226887 /nfs/dbraw/zinc/22/68/87/171226887.db2.gz ZQQNQZIAQDRUSM-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN Cc1ccc(C(C)(C)C)c(OCCCC(N)=S)c1 ZINC000020523703 171235949 /nfs/dbraw/zinc/23/59/49/171235949.db2.gz MKEHHFHSEIAXEV-UHFFFAOYSA-N 0 0 265.422 3.738 10 0 CHAERN COc1ccc(Cl)cc1N[C@@H](C)CC(C)(C)OC ZINC000020524341 171237393 /nfs/dbraw/zinc/23/73/93/171237393.db2.gz IRAOKBKBCFIWHO-JTQLQIEISA-N 0 0 271.788 3.964 10 0 CHAERN CCCC1CCC(Nc2ccc(C(N)=O)cc2)CC1 ZINC000020549683 171246784 /nfs/dbraw/zinc/24/67/84/171246784.db2.gz KKZVWXVTTYWQSG-UHFFFAOYSA-N 0 0 260.381 3.556 10 0 CHAERN COc1ccc(CSc2ccccc2F)cc1N ZINC000020557284 171250293 /nfs/dbraw/zinc/25/02/93/171250293.db2.gz BFERIXOGLNVSKI-UHFFFAOYSA-N 0 0 263.337 3.709 10 0 CHAERN CC[C@H]1CCCC[C@@H]1OCc1ccc(C(N)=S)cc1F ZINC000020562291 171252420 /nfs/dbraw/zinc/25/24/20/171252420.db2.gz UELWBPCZQOQEBK-NHYWBVRUSA-N 0 0 295.423 3.945 10 0 CHAERN CC(C)Oc1ccc(Nc2ccc(F)cc2N)cc1 ZINC000020585922 171258844 /nfs/dbraw/zinc/25/88/44/171258844.db2.gz WPCQBXPYNBJMSD-UHFFFAOYSA-N 0 0 260.312 3.939 10 0 CHAERN S=c1[nH]nc(C2CC2)n1C12CC3CC(CC(C3)C1)C2 ZINC000020588673 171259804 /nfs/dbraw/zinc/25/98/04/171259804.db2.gz NMJVIUJUDQKBDW-UHFFFAOYSA-N 0 0 275.421 3.743 10 0 CHAERN CC(C)C1N=NC(=S)N1c1ccc(Cl)cc1Cl ZINC000020588808 171260513 /nfs/dbraw/zinc/26/05/13/171260513.db2.gz BYANXRSQQSSGBK-UHFFFAOYSA-N 0 0 288.203 3.986 10 0 CHAERN CC(=O)[C@@H]1C[C@H]1c1ccc(SC(F)(F)F)cc1 ZINC000020594380 171263370 /nfs/dbraw/zinc/26/33/70/171263370.db2.gz JACHGLCJSCGZJP-QWRGUYRKSA-N 0 0 260.280 3.991 10 0 CHAERN Cc1ccc(O)c(NC(=O)COc2cc(C)c(C)cc2C)c1 ZINC000020983817 171282778 /nfs/dbraw/zinc/28/27/78/171282778.db2.gz QWOUEDXVCACLMA-UHFFFAOYSA-N 0 0 299.370 3.643 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(C)ccc1O ZINC000020983861 171283008 /nfs/dbraw/zinc/28/30/08/171283008.db2.gz DHHBFYYPJOTAQL-ACCUITESSA-N 0 0 267.328 3.743 10 0 CHAERN CCCC(=O)Nc1cc(C)ccc1NC(=O)c1ccco1 ZINC000021004316 171284836 /nfs/dbraw/zinc/28/48/36/171284836.db2.gz ZIBNJTSLELVTNL-UHFFFAOYSA-N 0 0 286.331 3.579 10 0 CHAERN O=c1oc(-c2cccc(F)c2)nc2ccc(Cl)cc12 ZINC000021003880 171284939 /nfs/dbraw/zinc/28/49/39/171284939.db2.gz MWYZZMKNNQBQRP-UHFFFAOYSA-N 0 0 275.666 3.648 10 0 CHAERN CC1(C)Cc2cccc(Oc3ccc(F)cc3N)c2O1 ZINC000021011441 171287299 /nfs/dbraw/zinc/28/72/99/171287299.db2.gz LDPYJHSYWZNJSO-UHFFFAOYSA-N 0 0 273.307 3.914 10 0 CHAERN Cc1cc(Oc2ncccc2C(N)=S)ccc1C(C)C ZINC000021028275 171291656 /nfs/dbraw/zinc/29/16/56/171291656.db2.gz MMBIRBQDQYDIQR-UHFFFAOYSA-N 0 0 286.400 3.940 10 0 CHAERN CC(C)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000021509067 171309418 /nfs/dbraw/zinc/30/94/18/171309418.db2.gz XMQVSLRIUAKGCW-UHFFFAOYSA-N 0 0 253.214 3.840 10 0 CHAERN Cc1ccc2nc(NC(=O)c3cc(C)ccc3O)sc2c1 ZINC000021514959 171312027 /nfs/dbraw/zinc/31/20/27/171312027.db2.gz CYGDVVODQBPWLX-UHFFFAOYSA-N 0 0 298.367 3.871 10 0 CHAERN Fc1cc(F)cc([C@H]2NCc3ccccc3-n3cccc32)c1 ZINC000021782186 171322134 /nfs/dbraw/zinc/32/21/34/171322134.db2.gz UQBFKIFGZDNYGW-GOSISDBHSA-N 0 0 296.320 3.948 10 0 CHAERN Cc1ccc(Nc2ccccc2C(N)=S)c(C)c1 ZINC000021791232 171323763 /nfs/dbraw/zinc/32/37/63/171323763.db2.gz JAWBXOZJDAEZIT-UHFFFAOYSA-N 0 0 256.374 3.681 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2N1 ZINC000021800497 171325751 /nfs/dbraw/zinc/32/57/51/171325751.db2.gz ZEGKZKBCWYWSLX-YXWQFLTLSA-N 0 0 286.419 3.764 10 0 CHAERN CCC[C@@H](C)CNc1ccc2c(c1)OC(F)(F)O2 ZINC000021804576 171326509 /nfs/dbraw/zinc/32/65/09/171326509.db2.gz OGJPHSPZGNYBMX-SECBINFHSA-N 0 0 257.280 3.856 10 0 CHAERN COc1ccc(N[C@H](C)c2ccc(C)cc2C)cn1 ZINC000021815377 171331876 /nfs/dbraw/zinc/33/18/76/171331876.db2.gz IZVRRRQXBRQFJY-CYBMUJFWSA-N 0 0 256.349 3.880 10 0 CHAERN Nc1cc(NC(=O)Nc2ccccc2F)ccc1Cl ZINC000021960883 171342690 /nfs/dbraw/zinc/34/26/90/171342690.db2.gz ZRWDVDCOBCBVNT-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Nc1cc(F)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021964119 171343066 /nfs/dbraw/zinc/34/30/66/171343066.db2.gz TWWCJHGBGBCYJN-UHFFFAOYSA-N 0 0 288.366 3.563 10 0 CHAERN CC(=O)c1cccn1Cc1ccccc1Br ZINC000021987599 171345527 /nfs/dbraw/zinc/34/55/27/171345527.db2.gz KLVYXESPYGRBSP-UHFFFAOYSA-N 0 0 278.149 3.502 10 0 CHAERN Clc1nc(Cl)nc(Nc2ccc3ncsc3c2)n1 ZINC000021987603 171345591 /nfs/dbraw/zinc/34/55/91/171345591.db2.gz PGMJLLDFHFEGMS-UHFFFAOYSA-N 0 0 298.158 3.532 10 0 CHAERN CCOC(=O)c1c(C)nc(C)cc1-c1ccccc1 ZINC000021989913 171346089 /nfs/dbraw/zinc/34/60/89/171346089.db2.gz OQVGXASMCWLVHD-UHFFFAOYSA-N 0 0 255.317 3.542 10 0 CHAERN CCOc1c2ccoc2c(OCC)c2oc(C)cc(=O)c12 ZINC000021994230 171347122 /nfs/dbraw/zinc/34/71/22/171347122.db2.gz HZXOIEZEHHZQFU-UHFFFAOYSA-N 0 0 288.299 3.645 10 0 CHAERN CSc1nc(Cc2ccc(Cl)cc2)oc1C ZINC000021999204 171347730 /nfs/dbraw/zinc/34/77/30/171347730.db2.gz WPMBUTKZSPFAER-UHFFFAOYSA-N 0 0 253.754 3.949 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2cc(Cl)ccc2N)c1 ZINC000022143707 171355882 /nfs/dbraw/zinc/35/58/82/171355882.db2.gz GNFCMEHXMNSFHY-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN Cc1ccc(Sc2nc3sccn3c2C=O)cc1C ZINC000022160934 171364316 /nfs/dbraw/zinc/36/43/16/171364316.db2.gz LJMLKGXNOAIEQD-UHFFFAOYSA-N 0 0 288.397 3.976 10 0 CHAERN CCc1ccccc1NC(=O)c1ccc(Cl)cc1N ZINC000022168309 171366581 /nfs/dbraw/zinc/36/65/81/171366581.db2.gz PQGUXSFDWHEOEY-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN Nc1cccc(OCc2cccc(Br)c2)c1 ZINC000022169863 171367787 /nfs/dbraw/zinc/36/77/87/171367787.db2.gz YOLVILYCWIZONS-UHFFFAOYSA-N 0 0 278.149 3.610 10 0 CHAERN CSc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000023305741 171419623 /nfs/dbraw/zinc/41/96/23/171419623.db2.gz MYSPWOXLIFIMLE-LLVKDONJSA-N 0 0 275.373 3.801 10 0 CHAERN Cc1nc2c(Br)cccc2c(C)c1C ZINC000026441165 171484096 /nfs/dbraw/zinc/48/40/96/171484096.db2.gz KYTQAMXKOJEYRD-UHFFFAOYSA-N 0 0 250.139 3.923 10 0 CHAERN Oc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000032107687 171699207 /nfs/dbraw/zinc/69/92/07/171699207.db2.gz NXOKSXZXIHRAHS-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN CCc1cc2ccc(F)cc2nc1Br ZINC000032108185 171700018 /nfs/dbraw/zinc/70/00/18/171700018.db2.gz RHMFNUAFHYJUEQ-UHFFFAOYSA-N 0 0 254.102 3.699 10 0 CHAERN O[C@H](CNc1ccccc1Cl)c1ccccc1F ZINC000032114257 171707836 /nfs/dbraw/zinc/70/78/36/171707836.db2.gz GOMPILKVEZNUBF-CQSZACIVSA-N 0 0 265.715 3.625 10 0 CHAERN Nc1ccc2c(c1)N(Cc1c(F)cccc1Cl)CC2 ZINC000032122731 171712896 /nfs/dbraw/zinc/71/28/96/171712896.db2.gz VJHRJVNOYHGAOB-UHFFFAOYSA-N 0 0 276.742 3.624 10 0 CHAERN Nc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1F ZINC000032181948 171720621 /nfs/dbraw/zinc/72/06/21/171720621.db2.gz DGNHUQZQSZABTL-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN O=C(c1cccs1)c1ccc(Br)s1 ZINC000034577044 171844604 /nfs/dbraw/zinc/84/46/04/171844604.db2.gz IVJKVYXVAXNHCC-UHFFFAOYSA-N 0 0 273.176 3.803 10 0 CHAERN C[C@H]1CC=CC[C@H]1COCc1ccc(Cl)nc1 ZINC000034958417 171904128 /nfs/dbraw/zinc/90/41/28/171904128.db2.gz UDRNAFFLXLTRDF-AAEUAGOBSA-N 0 0 251.757 3.854 10 0 CHAERN COc1ccc(N)cc1CSCc1ccccc1 ZINC000034959380 171905215 /nfs/dbraw/zinc/90/52/15/171905215.db2.gz DYHWVDUOMYHUBS-UHFFFAOYSA-N 0 0 259.374 3.711 10 0 CHAERN COc1ccc(C(C)=O)cc1CN(C)c1ccccc1 ZINC000034980756 171913898 /nfs/dbraw/zinc/91/38/98/171913898.db2.gz KPIHURJKWYRXIA-UHFFFAOYSA-N 0 0 269.344 3.534 10 0 CHAERN Cc1ccc(C(=O)CN2c3ccccc3C[C@@H]2C)cc1C ZINC000035020170 171938386 /nfs/dbraw/zinc/93/83/86/171938386.db2.gz UYCJSFJRLWUZBW-HNNXBMFYSA-N 0 0 279.383 3.937 10 0 CHAERN C[C@@H]1CCCN(CC(=O)c2cc(Cl)sc2Cl)C1 ZINC000035021376 171940568 /nfs/dbraw/zinc/94/05/68/171940568.db2.gz LLYQZDSWZWXXFK-MRVPVSSYSA-N 0 0 292.231 3.970 10 0 CHAERN O=C(COc1ccccc1C(F)(F)F)c1ccco1 ZINC000035048144 171952482 /nfs/dbraw/zinc/95/24/82/171952482.db2.gz FISGVQHCEPVIMC-UHFFFAOYSA-N 0 0 270.206 3.560 10 0 CHAERN Nc1ccc(F)cc1CSc1ccc(F)c(F)c1 ZINC000035058043 171960736 /nfs/dbraw/zinc/96/07/36/171960736.db2.gz IWGUDCCKYZWCCU-UHFFFAOYSA-N 0 0 269.291 3.978 10 0 CHAERN Cc1nc(CNc2cc(Cl)ccc2F)cs1 ZINC000035083745 171970155 /nfs/dbraw/zinc/97/01/55/171970155.db2.gz DYCDOHOBHHYMPC-UHFFFAOYSA-N 0 0 256.733 3.856 10 0 CHAERN O=C(c1c[nH]c2ccccc12)N1CCCCCCC1 ZINC000035134750 172001383 /nfs/dbraw/zinc/00/13/83/172001383.db2.gz XSWNVBLZSITKJU-UHFFFAOYSA-N 0 0 256.349 3.574 10 0 CHAERN O=C(Nc1ccc(F)c(F)c1F)c1c[nH]c2ccccc12 ZINC000035134735 172001593 /nfs/dbraw/zinc/00/15/93/172001593.db2.gz GQZMZGVOEIVRAB-UHFFFAOYSA-N 0 0 290.244 3.838 10 0 CHAERN O=C(Nc1cccc(F)c1)c1c[nH]c2ccccc12 ZINC000035134599 172001846 /nfs/dbraw/zinc/00/18/46/172001846.db2.gz KDKQRTPWVGSSRQ-UHFFFAOYSA-N 0 0 254.264 3.559 10 0 CHAERN Cc1ccc2nc(-c3cccc(NC(=O)C(C)C)c3)cn2c1 ZINC000035156310 172016757 /nfs/dbraw/zinc/01/67/57/172016757.db2.gz UVOJRHKKUSWIOH-UHFFFAOYSA-N 0 0 293.370 3.904 10 0 CHAERN CC(C)c1ccc(OCc2nnsc2Cl)cc1 ZINC000035163651 172024555 /nfs/dbraw/zinc/02/45/55/172024555.db2.gz VWUXLGDNQMILOT-UHFFFAOYSA-N 0 0 268.769 3.894 10 0 CHAERN Clc1snnc1COc1ccc2ccccc2c1 ZINC000035163578 172024823 /nfs/dbraw/zinc/02/48/23/172024823.db2.gz GFKXCYNDAMJGST-UHFFFAOYSA-N 0 0 276.748 3.924 10 0 CHAERN Cc1cc(OCC(=O)c2ccco2)ccc1C(C)C ZINC000035182075 172035608 /nfs/dbraw/zinc/03/56/08/172035608.db2.gz WPICHNRQSWMAOZ-UHFFFAOYSA-N 0 0 258.317 3.973 10 0 CHAERN O=C(COc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 ZINC000035181731 172035651 /nfs/dbraw/zinc/03/56/51/172035651.db2.gz ABAAWUNXNTVGHZ-UHFFFAOYSA-N 0 0 288.293 3.715 10 0 CHAERN CCOc1ccc(C(=O)CS[C@@H](C)CC)cc1 ZINC000035182558 172036364 /nfs/dbraw/zinc/03/63/64/172036364.db2.gz HGJIYHKJBSASEW-NSHDSACASA-N 0 0 252.379 3.800 10 0 CHAERN Cc1cccc(OCC(=O)c2cc(F)ccc2F)c1 ZINC000035183712 172036818 /nfs/dbraw/zinc/03/68/18/172036818.db2.gz WRGKLJWVHZTDGJ-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN CCOc1ccc(C(=O)CSCC(C)C)cc1 ZINC000035182933 172036904 /nfs/dbraw/zinc/03/69/04/172036904.db2.gz DKXYDKXAJFNTPJ-UHFFFAOYSA-N 0 0 252.379 3.657 10 0 CHAERN COc1ccc(OCC(=O)c2cccc(Cl)c2)cc1 ZINC000035184201 172037894 /nfs/dbraw/zinc/03/78/94/172037894.db2.gz QPCJSHBBLNJEEL-UHFFFAOYSA-N 0 0 276.719 3.610 10 0 CHAERN COc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035184168 172037949 /nfs/dbraw/zinc/03/79/49/172037949.db2.gz XCJLNFUSAQICCD-NSHDSACASA-N 0 0 290.746 3.999 10 0 CHAERN COC(=O)[C@@H](N[C@@H](C)c1cccc2ccccc21)C(C)C ZINC000035185746 172039866 /nfs/dbraw/zinc/03/98/66/172039866.db2.gz RWLFNMRNUOTLSP-GUYCJALGSA-N 0 0 285.387 3.688 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2ccc([C@H](C)O)cc2)c1 ZINC000035188750 172043067 /nfs/dbraw/zinc/04/30/67/172043067.db2.gz CBMHCZFLVJCNEL-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@@H](O)c1ccc(OCc2cccc3cccnc32)cc1 ZINC000035199416 172044758 /nfs/dbraw/zinc/04/47/58/172044758.db2.gz MRBZRBVIJDEHTL-CYBMUJFWSA-N 0 0 279.339 3.867 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2ccccc2[C@@H](C)O)c1 ZINC000035199573 172044889 /nfs/dbraw/zinc/04/48/89/172044889.db2.gz ONEFBHUIKKZSMS-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2ccccc2[C@@H](C)O)c1 ZINC000035199567 172045383 /nfs/dbraw/zinc/04/53/83/172045383.db2.gz QWQUOUBAVGVKEC-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN CC(C)Cn1nc(-c2ccccc2Br)cc1N ZINC000035276995 172096592 /nfs/dbraw/zinc/09/65/92/172096592.db2.gz RGGIMEVODRJBJW-UHFFFAOYSA-N 0 0 294.196 3.551 10 0 CHAERN Cc1cc(N(Cc2ccccc2)C(C)C)ccc1N ZINC000035277547 172097213 /nfs/dbraw/zinc/09/72/13/172097213.db2.gz WRCGPRVGHJLFAL-UHFFFAOYSA-N 0 0 254.377 3.992 10 0 CHAERN CN(c1ccc2cc(N)ccc2n1)C1CCCCC1 ZINC000035343163 172135046 /nfs/dbraw/zinc/13/50/46/172135046.db2.gz FMHXCOBWVJVJII-UHFFFAOYSA-N 0 0 255.365 3.586 10 0 CHAERN CCCS(=O)(=O)c1ccc(N[C@H](C)CC(C)C)cc1 ZINC000035348388 172142270 /nfs/dbraw/zinc/14/22/70/172142270.db2.gz BONZSVYJQVMFAC-CYBMUJFWSA-N 0 0 283.437 3.717 10 0 CHAERN N[C@H](c1ccc(Br)o1)c1ccc(Cl)s1 ZINC000035381259 172163505 /nfs/dbraw/zinc/16/35/05/172163505.db2.gz OSEZZEIJPBTGMK-SECBINFHSA-N 0 0 292.585 3.805 10 0 CHAERN CCCCCOc1cc(OCCC)ccc1CO ZINC000035413949 172186867 /nfs/dbraw/zinc/18/68/67/172186867.db2.gz VRBUAAKLLLVHIF-UHFFFAOYSA-N 0 0 252.354 3.537 10 0 CHAERN CCc1cccc(Oc2nc3sccn3c2C=O)c1 ZINC000035428491 172196701 /nfs/dbraw/zinc/19/67/01/172196701.db2.gz HPECUOZGXPLMTH-UHFFFAOYSA-N 0 0 272.329 3.563 10 0 CHAERN CN[C@H](c1ccoc1)c1cc(Cl)ccc1Cl ZINC000035501802 172236496 /nfs/dbraw/zinc/23/64/96/172236496.db2.gz RACNOQZKRBXMNZ-GFCCVEGCSA-N 0 0 256.132 3.895 10 0 CHAERN CCN[C@@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000035539983 172245961 /nfs/dbraw/zinc/24/59/61/172245961.db2.gz CFWPZIMMTKKMIA-HNNXBMFYSA-N 0 0 265.278 3.803 10 0 CHAERN Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2)cc1 ZINC000035577752 172274552 /nfs/dbraw/zinc/27/45/52/172274552.db2.gz GXGDMWXAOOZZPE-HNNXBMFYSA-N 0 0 274.726 3.918 10 0 CHAERN Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12 ZINC000035580122 172275566 /nfs/dbraw/zinc/27/55/66/172275566.db2.gz DBANCIWTJPYCIV-UHFFFAOYSA-N 0 0 255.708 3.532 10 0 CHAERN CCCN[C@H](c1ccco1)c1cc(F)ccc1F ZINC000035580028 172275582 /nfs/dbraw/zinc/27/55/82/172275582.db2.gz VJJHZZPFQFTQBG-AWEZNQCLSA-N 0 0 251.276 3.647 10 0 CHAERN CCCN[C@H](c1ccc(OC)cc1C)C(F)(F)F ZINC000035579813 172275664 /nfs/dbraw/zinc/27/56/64/172275664.db2.gz VEGPHSMSLAPMSN-GFCCVEGCSA-N 0 0 261.287 3.607 10 0 CHAERN CCCN[C@@H](c1c(F)cc(F)cc1F)C(F)(F)F ZINC000035580794 172276417 /nfs/dbraw/zinc/27/64/17/172276417.db2.gz CYHBNTRIKBBNLR-JTQLQIEISA-N 0 0 271.204 3.707 10 0 CHAERN CCCN[C@@H](c1ccc(OC)c(C)c1)C(F)(F)F ZINC000035586915 172286852 /nfs/dbraw/zinc/28/68/52/172286852.db2.gz HSJHMLFDMGFSPJ-LBPRGKRZSA-N 0 0 261.287 3.607 10 0 CHAERN Cc1ccc(CN(C)c2cccc(F)c2[C@@H](C)O)cc1 ZINC000035631494 172313503 /nfs/dbraw/zinc/31/35/03/172313503.db2.gz ITMHBLNSCMZQKK-CYBMUJFWSA-N 0 0 273.351 3.824 10 0 CHAERN C[C@@H](O)c1cc(F)ccc1Oc1ccc(F)cc1F ZINC000035632019 172314344 /nfs/dbraw/zinc/31/43/44/172314344.db2.gz LHGUKSDXBUPQQO-MRVPVSSYSA-N 0 0 268.234 3.950 10 0 CHAERN Cc1ccc(NC(=O)c2cc(N)ccc2F)cc1Cl ZINC000035651369 172327327 /nfs/dbraw/zinc/32/73/27/172327327.db2.gz AFNOOVBKZLKGRW-UHFFFAOYSA-N 0 0 278.714 3.622 10 0 CHAERN C[C@H](Nc1ccc(Br)cc1N)c1cccnc1 ZINC000035692045 172360928 /nfs/dbraw/zinc/36/09/28/172360928.db2.gz PRPWLZWEYDUMCU-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN CCOc1ccc(OCC)c2c(Cl)ccnc12 ZINC000035731069 172381318 /nfs/dbraw/zinc/38/13/18/172381318.db2.gz XJUVFHJNKWRKBD-UHFFFAOYSA-N 0 0 251.713 3.686 10 0 CHAERN C[C@@H](Nc1ccccc1C(N)=S)c1cccs1 ZINC000035736889 172389840 /nfs/dbraw/zinc/38/98/40/172389840.db2.gz OZYMGSJHMQSWEL-SECBINFHSA-N 0 0 262.403 3.555 10 0 CHAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccco2)c(C)s1 ZINC000035738564 172391298 /nfs/dbraw/zinc/39/12/98/172391298.db2.gz BWCDTVLSVMMLFX-DTWKUNHWSA-N 0 0 250.367 3.765 10 0 CHAERN COc1cc(OC)cc(Oc2ccc([C@H](C)O)cc2)c1 ZINC000036205377 172516214 /nfs/dbraw/zinc/51/62/14/172516214.db2.gz LIIKGPFKJUEEBT-NSHDSACASA-N 0 0 274.316 3.549 10 0 CHAERN Cc1ccc(OCC(=O)c2c(F)cccc2F)cc1 ZINC000036324119 172608385 /nfs/dbraw/zinc/60/83/85/172608385.db2.gz KVBYNIVIKSHYRM-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN Cc1ccc(SCc2csc(N)n2)c(C)c1 ZINC000036723517 172660531 /nfs/dbraw/zinc/66/05/31/172660531.db2.gz VJKOFUCRDQXDSG-UHFFFAOYSA-N 0 0 250.392 3.634 10 0 CHAERN CCC[C@H](C)C(=O)Nc1c(C)cc(Br)cc1N ZINC000036738941 172669895 /nfs/dbraw/zinc/66/98/95/172669895.db2.gz YUFMNSBKAZZBOK-QMMMGPOBSA-N 0 0 299.212 3.714 10 0 CHAERN CC[C@H](C)c1[nH]nc(N)c1-c1cccc(Br)c1 ZINC000036766087 172684485 /nfs/dbraw/zinc/68/44/85/172684485.db2.gz JZVIHLDMBZQHKA-QMMMGPOBSA-N 0 0 294.196 3.935 10 0 CHAERN COc1ccc(C(=O)c2ccccc2OC)c(Cl)c1 ZINC000036767428 172685183 /nfs/dbraw/zinc/68/51/83/172685183.db2.gz RFJCCCNWCNNJRS-UHFFFAOYSA-N 0 0 276.719 3.588 10 0 CHAERN CC(C)Cc1[nH]nc(N)c1-c1c(F)cccc1Cl ZINC000036935415 172815213 /nfs/dbraw/zinc/81/52/13/172815213.db2.gz UBAJSRHWQVPRKL-UHFFFAOYSA-N 0 0 267.735 3.650 10 0 CHAERN Cc1cc(C(=O)c2cc(F)cc(F)c2)c(C)s1 ZINC000036943980 172819326 /nfs/dbraw/zinc/81/93/26/172819326.db2.gz MSZAMCYUJFAXLD-UHFFFAOYSA-N 0 0 252.285 3.874 10 0 CHAERN c1cnn(Cc2ccccc2NCc2ccsc2)c1 ZINC000036995710 172855211 /nfs/dbraw/zinc/85/52/11/172855211.db2.gz PCPKJAHWHHWNTH-UHFFFAOYSA-N 0 0 269.373 3.605 10 0 CHAERN Nc1cc(Cl)ccc1SCc1ccc2c(c1)OCO2 ZINC000037037538 172904577 /nfs/dbraw/zinc/90/45/77/172904577.db2.gz MVBXCTMJTVDVRY-UHFFFAOYSA-N 0 0 293.775 3.943 10 0 CHAERN CNC(=O)c1ccc(Cl)c(NC2CCC(C)CC2)c1 ZINC000037069158 172931105 /nfs/dbraw/zinc/93/11/05/172931105.db2.gz XMXZSGSYPJPZTD-UHFFFAOYSA-N 0 0 280.799 3.690 10 0 CHAERN CO[C@@H]1CCCC[C@@H]1Nc1ccc(OC(C)C)cc1 ZINC000037246736 173060409 /nfs/dbraw/zinc/06/04/09/173060409.db2.gz LZJKVTJXGQKTLV-JKSUJKDBSA-N 0 0 263.381 3.843 10 0 CHAERN C[C@H]1CCC[C@H](n2c(=S)[nH]nc2-c2cccnc2)C1 ZINC000037256358 173066683 /nfs/dbraw/zinc/06/66/83/173066683.db2.gz KYQLXZFLYGJIPT-JQWIXIFHSA-N 0 0 274.393 3.754 10 0 CHAERN COc1ccc(CNc2cccnc2Cl)cc1C ZINC000037283704 173091149 /nfs/dbraw/zinc/09/11/49/173091149.db2.gz SNCOKONDBDTZGR-UHFFFAOYSA-N 0 0 262.740 3.664 10 0 CHAERN Nc1cc(CSc2ccc3c(c2)CCC3)ccc1O ZINC000037285870 173092061 /nfs/dbraw/zinc/09/20/61/173092061.db2.gz LOXWDJSDSRXEFW-UHFFFAOYSA-N 0 0 271.385 3.755 10 0 CHAERN CCCC[C@H](C)Nc1ccc(-n2ccnc2C)nc1 ZINC000037319346 173119369 /nfs/dbraw/zinc/11/93/69/173119369.db2.gz GJNWWPVBTZXRBZ-LBPRGKRZSA-N 0 0 258.369 3.566 10 0 CHAERN CC[C@H](C)CN(C)CC(=O)c1cc2ccccc2o1 ZINC000037337104 173137705 /nfs/dbraw/zinc/13/77/05/173137705.db2.gz XSQOMCDPKDUQGB-LBPRGKRZSA-N 0 0 259.349 3.593 10 0 CHAERN C[C@@H]1CCCC[C@H]1OCC(=O)c1cc(F)ccc1F ZINC000037343837 173143123 /nfs/dbraw/zinc/14/31/23/173143123.db2.gz XKIPYSKVKJIFJR-MEBBXXQBSA-N 0 0 268.303 3.743 10 0 CHAERN C[C@H]1CCCC[C@@H]1OCC(=O)c1cc(F)ccc1F ZINC000037343835 173143408 /nfs/dbraw/zinc/14/34/08/173143408.db2.gz XKIPYSKVKJIFJR-BONVTDFDSA-N 0 0 268.303 3.743 10 0 CHAERN COc1ccccc1-c1c(N)onc1-c1ccsc1 ZINC000037350682 173144462 /nfs/dbraw/zinc/14/44/62/173144462.db2.gz JFLRKLNZGHWPQP-UHFFFAOYSA-N 0 0 272.329 3.661 10 0 CHAERN COc1ccc(C(=O)COCCCC(C)C)cc1Cl ZINC000037349363 173144536 /nfs/dbraw/zinc/14/45/36/173144536.db2.gz NTRUUZSATLVEJW-UHFFFAOYSA-N 0 0 284.783 3.984 10 0 CHAERN CCC[C@@H](C)c1nn(C)c(N)c1-c1ccccc1C ZINC000037351249 173144713 /nfs/dbraw/zinc/14/47/13/173144713.db2.gz DEBBDYRWIBKBTR-GFCCVEGCSA-N 0 0 257.381 3.881 10 0 CHAERN CCOc1ccc(-c2c(N)onc2CC(C)C)cc1 ZINC000037351019 173144778 /nfs/dbraw/zinc/14/47/78/173144778.db2.gz GMBCTHXFRBTCFA-UHFFFAOYSA-N 0 0 260.337 3.521 10 0 CHAERN Cc1cccc(-c2noc(N)c2-c2ccccc2)c1 ZINC000037350035 173144887 /nfs/dbraw/zinc/14/48/87/173144887.db2.gz JFYQYKNULLDBSE-UHFFFAOYSA-N 0 0 250.301 3.899 10 0 CHAERN Cc1ccc(C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000037359867 173149917 /nfs/dbraw/zinc/14/99/17/173149917.db2.gz RFWCQFPJUZPQBH-UHFFFAOYSA-N 0 0 262.255 3.827 10 0 CHAERN CCC[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000037417223 173194677 /nfs/dbraw/zinc/19/46/77/173194677.db2.gz KYAOYSMHZMIUHZ-CYBMUJFWSA-N 0 0 269.772 3.636 10 0 CHAERN Cc1ccc2c(c1)nc(-c1ccc(C)cc1O)n2C ZINC000037438812 173209531 /nfs/dbraw/zinc/20/95/31/173209531.db2.gz PHMPUKMZAFIRCE-UHFFFAOYSA-N 0 0 252.317 3.563 10 0 CHAERN C[C@](O)(c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000037529254 173252747 /nfs/dbraw/zinc/25/27/47/173252747.db2.gz IQLFMMWUAXGLGI-CQSZACIVSA-N 0 0 295.151 3.844 10 0 CHAERN O[C@@]1(Cc2cccc(Cl)c2)CCc2ccccc2C1 ZINC000037531313 173253341 /nfs/dbraw/zinc/25/33/41/173253341.db2.gz RMLQHOLYHYSDOV-QGZVFWFLSA-N 0 0 272.775 3.803 10 0 CHAERN C[C@@](O)(Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000037530831 173253535 /nfs/dbraw/zinc/25/35/35/173253535.db2.gz DEBMUDCCAMGTJL-OAHLLOKOSA-N 0 0 264.727 3.929 10 0 CHAERN O[C@H](Cc1cccc(Cl)c1)Cc1ccccc1F ZINC000037532503 173253948 /nfs/dbraw/zinc/25/39/48/173253948.db2.gz XTADRVFODOYRHM-CQSZACIVSA-N 0 0 264.727 3.625 10 0 CHAERN CC(=O)c1ccc2ccccc2c1OCC(F)F ZINC000037755996 173679417 /nfs/dbraw/zinc/67/94/17/173679417.db2.gz AHLOISJLOZXDAR-UHFFFAOYSA-N 0 0 250.244 3.686 10 0 CHAERN CCCCCCNc1cccc(COCCOC)c1 ZINC000037772662 173705630 /nfs/dbraw/zinc/70/56/30/173705630.db2.gz JKYVJFLQVMLAJG-UHFFFAOYSA-N 0 0 265.397 3.842 10 0 CHAERN CC[C@H](C)[C@@H](C)Nc1cccc(-c2n[nH]c(C)n2)c1 ZINC000037781680 173711459 /nfs/dbraw/zinc/71/14/59/173711459.db2.gz FPFAXWJGVKVQIJ-WDEREUQCSA-N 0 0 258.369 3.627 10 0 CHAERN COc1ccc(N)cc1COc1ccc(F)cc1Cl ZINC000037902118 173833476 /nfs/dbraw/zinc/83/34/76/173833476.db2.gz KLJRSHPRHBQEKL-UHFFFAOYSA-N 0 0 281.714 3.649 10 0 CHAERN OCc1ccccc1Oc1ccc(F)cc1Cl ZINC000037902326 173833485 /nfs/dbraw/zinc/83/34/85/173833485.db2.gz IYTAHWJXUVFKFH-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN Cc1cc(OC(C)C)ccc1N[C@H](C)c1cc[nH]n1 ZINC000037908490 173841665 /nfs/dbraw/zinc/84/16/65/173841665.db2.gz WTXUUJPLTPXUOH-GFCCVEGCSA-N 0 0 259.353 3.678 10 0 CHAERN CC[C@@H]1CCCN1c1ccc(N)cc1C(F)(F)F ZINC000037913045 173846042 /nfs/dbraw/zinc/84/60/42/173846042.db2.gz DQUYOUPDKQPVFC-SNVBAGLBSA-N 0 0 258.287 3.666 10 0 CHAERN C[C@@](Nc1ccc(Cl)cc1)(C(N)=O)C1CCCCC1 ZINC000037945307 173886352 /nfs/dbraw/zinc/88/63/52/173886352.db2.gz CQNCPINBCLFJFU-HNNXBMFYSA-N 0 0 280.799 3.576 10 0 CHAERN NC(=O)[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000037945206 173886828 /nfs/dbraw/zinc/88/68/28/173886828.db2.gz HOHRYTXBISGRRX-ZDUSSCGKSA-N 0 0 295.169 3.632 10 0 CHAERN COC(=O)[C@@](C)(CC(C)C)Nc1ccccc1Cl ZINC000037955129 173896403 /nfs/dbraw/zinc/89/64/03/173896403.db2.gz ZSFXTZBTHPWBDH-CQSZACIVSA-N 0 0 269.772 3.730 10 0 CHAERN CCCCC[C@H](Nc1ccccc1Cl)C(=O)OC ZINC000037955171 173896844 /nfs/dbraw/zinc/89/68/44/173896844.db2.gz MEUNKTAUAXZMQS-ZDUSSCGKSA-N 0 0 269.772 3.874 10 0 CHAERN COC(=O)C1(Nc2cccc(Cl)c2)CCCCC1 ZINC000037955623 173897455 /nfs/dbraw/zinc/89/74/55/173897455.db2.gz XJTDMMRMWYQHGY-UHFFFAOYSA-N 0 0 267.756 3.628 10 0 CHAERN COC(=O)[C@](C)(CCC(C)C)Nc1cccc(F)c1 ZINC000037961945 173905203 /nfs/dbraw/zinc/90/52/03/173905203.db2.gz KRDYYOGVBSHYHL-HNNXBMFYSA-N 0 0 267.344 3.606 10 0 CHAERN O=Cc1csc(Cc2ccc(Cl)cc2Cl)n1 ZINC000037974038 173927894 /nfs/dbraw/zinc/92/78/94/173927894.db2.gz ANNDKSZMGLCSQU-UHFFFAOYSA-N 0 0 272.156 3.853 10 0 CHAERN Cc1ccc(CN(C)C(=O)c2ccccc2F)c(C)c1 ZINC000037977548 173933896 /nfs/dbraw/zinc/93/38/96/173933896.db2.gz NRACISBLZAJZAC-UHFFFAOYSA-N 0 0 271.335 3.715 10 0 CHAERN Clc1nsnc1Oc1cccc(Br)c1 ZINC000037981620 173941848 /nfs/dbraw/zinc/94/18/48/173941848.db2.gz UAUUIZBNDMWZEQ-UHFFFAOYSA-N 0 0 291.557 3.746 10 0 CHAERN Cc1cccc(CN(C(=O)c2ccccc2F)C2CC2)c1 ZINC000037983419 173944814 /nfs/dbraw/zinc/94/48/14/173944814.db2.gz DLJGDSKUIOLZJS-UHFFFAOYSA-N 0 0 283.346 3.939 10 0 CHAERN CCc1c(C)nc(-c2ccc(C(C)(C)C)cc2)[nH]c1=O ZINC000038003954 173965952 /nfs/dbraw/zinc/96/59/52/173965952.db2.gz UADVDFILOMHZCU-UHFFFAOYSA-N 0 0 270.376 3.605 10 0 CHAERN CCc1ccc([C@H](C)Nc2ccc(Cl)nn2)cc1 ZINC000038012780 173982309 /nfs/dbraw/zinc/98/23/09/173982309.db2.gz WYQDGJCKSYEXEF-JTQLQIEISA-N 0 0 261.756 3.866 10 0 CHAERN Cc1nnc(Nc2cc(N)ccc2Cl)c2ccccc12 ZINC000038033855 174031976 /nfs/dbraw/zinc/03/19/76/174031976.db2.gz ZFPWPKXHXJLQML-UHFFFAOYSA-N 0 0 284.750 3.917 10 0 CHAERN Nc1cc(F)c(SCc2ccccc2)c(F)c1 ZINC000038040399 174040263 /nfs/dbraw/zinc/04/02/63/174040263.db2.gz KSSOLEMUKGQHIT-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Cc1ccc(C(=O)N2CCSc3ccc(N)cc32)cc1C ZINC000038051185 174062699 /nfs/dbraw/zinc/06/26/99/174062699.db2.gz HQFDODGNTFBCSE-UHFFFAOYSA-N 0 0 298.411 3.638 10 0 CHAERN CC[C@@H](C)N[C@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067028 174078372 /nfs/dbraw/zinc/07/83/72/174078372.db2.gz UMEKYCFCHRICDJ-ABAIWWIYSA-N 0 0 283.799 3.506 10 0 CHAERN CCCCCC[C@](C)(N[C@H](C)CC)C(=O)OCC ZINC000038067938 174079821 /nfs/dbraw/zinc/07/98/21/174079821.db2.gz FOUWBTDIIWOUGG-HIFRSBDPSA-N 0 0 257.418 3.667 10 0 CHAERN CCOC(=O)[C@]1(N[C@@H](C)CC)C[C@H](C)CC(C)(C)C1 ZINC000038067815 174079974 /nfs/dbraw/zinc/07/99/74/174079974.db2.gz POGWFPWQSSQOIV-WWGRRREGSA-N 0 0 269.429 3.523 10 0 CHAERN CCOc1ccc(-c2ccc(OC)c(C=O)c2)cc1 ZINC000038069618 174081149 /nfs/dbraw/zinc/08/11/49/174081149.db2.gz XDDDHUMBWSUWBW-UHFFFAOYSA-N 0 0 256.301 3.573 10 0 CHAERN COc1ccc(-c2c(F)cc(F)cc2F)cc1C=O ZINC000038071791 174082581 /nfs/dbraw/zinc/08/25/81/174082581.db2.gz PWZXFJKEOKUICY-UHFFFAOYSA-N 0 0 266.218 3.592 10 0 CHAERN Cc1ccsc1C(=O)N(C)[C@@H](C)c1ccc(O)cc1 ZINC000038090070 174103388 /nfs/dbraw/zinc/10/33/88/174103388.db2.gz JSWVRNRVLKNVEX-NSHDSACASA-N 0 0 275.373 3.595 10 0 CHAERN Cc1csc(CNc2nccc3sccc32)n1 ZINC000038091724 174105817 /nfs/dbraw/zinc/10/58/17/174105817.db2.gz CMTZOOYAXLJHSS-UHFFFAOYSA-N 0 0 261.375 3.673 10 0 CHAERN Brc1ccc2c(c1)[C@H](O[C@H]1CCCCO1)CC2 ZINC000038957844 174160491 /nfs/dbraw/zinc/16/04/91/174160491.db2.gz DDNRTCUQYBRVNY-KGLIPLIRSA-N 0 0 297.192 3.980 10 0 CHAERN Oc1cc(-c2ccccc2)c(O)cc1Br ZINC000039119155 174163226 /nfs/dbraw/zinc/16/32/26/174163226.db2.gz GQPWSGQGTLGDAW-UHFFFAOYSA-N 0 0 265.106 3.527 10 0 CHAERN O=C1O[C@@H](c2ccccc2)[C@@H]2c3ccsc3CCN12 ZINC000039136206 174164146 /nfs/dbraw/zinc/16/41/46/174164146.db2.gz XMZXCFPRPRNQAV-KBPBESRZSA-N 0 0 271.341 3.539 10 0 CHAERN Brc1ccccc1-c1nc2cccnc2o1 ZINC000039233191 174166850 /nfs/dbraw/zinc/16/68/50/174166850.db2.gz VVJQLZXSHCEIMV-UHFFFAOYSA-N 0 0 275.105 3.652 10 0 CHAERN CCOCCn1c2ccccc2nc1-c1cccs1 ZINC000040239176 174211995 /nfs/dbraw/zinc/21/19/95/174211995.db2.gz BURSJGVFZKVVCY-UHFFFAOYSA-N 0 0 272.373 3.801 10 0 CHAERN O[C@@H](c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000040242472 174213695 /nfs/dbraw/zinc/21/36/95/174213695.db2.gz UTQHDVYXHWEZDN-KRWDZBQOSA-N 0 0 256.320 3.786 10 0 CHAERN CCOCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000040249705 174215432 /nfs/dbraw/zinc/21/54/32/174215432.db2.gz JGWGXJVSENHCHL-UHFFFAOYSA-N 0 0 284.334 3.879 10 0 CHAERN O[C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000040260633 174217327 /nfs/dbraw/zinc/21/73/27/174217327.db2.gz LGFULGWYKNTXSO-MRVPVSSYSA-N 0 0 259.054 3.979 10 0 CHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1 ZINC000040295530 174223803 /nfs/dbraw/zinc/22/38/03/174223803.db2.gz OQRQHRAIJYTPAO-UHFFFAOYSA-N 0 0 293.370 3.600 10 0 CHAERN CCc1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 ZINC000040311868 174230808 /nfs/dbraw/zinc/23/08/08/174230808.db2.gz RUUVOCKIVPYYQG-UHFFFAOYSA-N 0 0 279.343 3.686 10 0 CHAERN CC[C@H](Oc1ccc(C)cc1N)C(=O)c1ccccc1 ZINC000040354260 174245543 /nfs/dbraw/zinc/24/55/43/174245543.db2.gz MFTCMYRPALFGJQ-HNNXBMFYSA-N 0 0 269.344 3.618 10 0 CHAERN Cc1c(Cl)ccc2c(NC(=O)c3ccncc3)ccnc12 ZINC000040359179 174246121 /nfs/dbraw/zinc/24/61/21/174246121.db2.gz JUAMZOJMAVBZKQ-UHFFFAOYSA-N 0 0 297.745 3.844 10 0 CHAERN COCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040404646 174253745 /nfs/dbraw/zinc/25/37/45/174253745.db2.gz ZIDDQZLTLLDLQZ-UHFFFAOYSA-N 0 0 266.772 3.634 10 0 CHAERN CCOc1cccc(-c2nc(C)c(C(C)=O)s2)c1 ZINC000040414663 174255543 /nfs/dbraw/zinc/25/55/43/174255543.db2.gz LOZIQCOUHYLOFD-UHFFFAOYSA-N 0 0 261.346 3.720 10 0 CHAERN Cc1ccc(Sc2ncnc(NC(C)(C)C)c2N)cc1 ZINC000040680609 174375052 /nfs/dbraw/zinc/37/50/52/174375052.db2.gz DPMVZBVRFKJRNH-UHFFFAOYSA-N 0 0 288.420 3.729 10 0 CHAERN Cc1ccc(Oc2ncnc(NC3CCCCC3)c2N)cc1 ZINC000040708679 174379982 /nfs/dbraw/zinc/37/99/82/174379982.db2.gz HOMLSLWITQKHIM-UHFFFAOYSA-N 0 0 298.390 3.904 10 0 CHAERN CCCc1ccc(OCCCC(=O)N(CC)CC)cc1 ZINC000040912952 174432874 /nfs/dbraw/zinc/43/28/74/174432874.db2.gz LKUAYRRDPASOQG-UHFFFAOYSA-N 0 0 277.408 3.667 10 0 CHAERN Cc1occc1C(=O)Nc1ccnc2c(F)cc(F)cc12 ZINC000041058195 174466025 /nfs/dbraw/zinc/46/60/25/174466025.db2.gz XVDXPOXCPKMWBJ-UHFFFAOYSA-N 0 0 288.253 3.667 10 0 CHAERN Cc1cccc([C@@H](O)c2c(F)cccc2Cl)c1 ZINC000041307754 174516467 /nfs/dbraw/zinc/51/64/67/174516467.db2.gz MODWWKLLLXRIMK-CQSZACIVSA-N 0 0 250.700 3.869 10 0 CHAERN CC(C)Cc1noc(N)c1-c1ccccc1Cl ZINC000041307816 174516516 /nfs/dbraw/zinc/51/65/16/174516516.db2.gz HVGPEQSEUQVBGR-UHFFFAOYSA-N 0 0 250.729 3.776 10 0 CHAERN Cc1ccc(C(=O)c2ccc(Br)s2)cc1N ZINC000041485869 174561085 /nfs/dbraw/zinc/56/10/85/174561085.db2.gz BYDMLEHPZAAOOQ-UHFFFAOYSA-N 0 0 296.189 3.632 10 0 CHAERN C[C@H](NC(=O)CCC1CCCCC1)c1ccncc1 ZINC000042049715 174635160 /nfs/dbraw/zinc/63/51/60/174635160.db2.gz XDDIFJLMZVOXBM-ZDUSSCGKSA-N 0 0 260.381 3.619 10 0 CHAERN Cc1cccc(Oc2ccc(Br)cn2)c1 ZINC000042389040 174705708 /nfs/dbraw/zinc/70/57/08/174705708.db2.gz XOOFAHPWQNPTIT-UHFFFAOYSA-N 0 0 264.122 3.945 10 0 CHAERN CC(C)CN(c1ccc(F)cc1[C@H](C)O)C1CC1 ZINC000042558155 174794332 /nfs/dbraw/zinc/79/43/32/174794332.db2.gz COWIHZZWDOOCCW-NSHDSACASA-N 0 0 251.345 3.504 10 0 CHAERN O[C@@H]1CCCCC[C@@H]1Nc1ccc(Cl)c(F)c1 ZINC000042579842 174804214 /nfs/dbraw/zinc/80/42/14/174804214.db2.gz NTUZLFUFECBLGJ-QWHCGFSZSA-N 0 0 257.736 3.585 10 0 CHAERN OCCCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000043445437 175047714 /nfs/dbraw/zinc/04/77/14/175047714.db2.gz HLPHUSDOVWJIFC-UHFFFAOYSA-N 0 0 267.678 3.543 10 0 CHAERN O=c1[nH]nc(-c2cc3ccccc3o2)cc1C(F)(F)F ZINC000043464352 175052335 /nfs/dbraw/zinc/05/23/35/175052335.db2.gz OJKNUQWTCSZEGA-UHFFFAOYSA-N 0 0 280.205 3.614 10 0 CHAERN O[C@@H]1CCCCC[C@H]1Cc1c(F)cccc1Cl ZINC000043659034 175085702 /nfs/dbraw/zinc/08/57/02/175085702.db2.gz RREZNDBJUJTUDL-IINYFYTJSA-N 0 0 256.748 3.963 10 0 CHAERN O[C@@H]1CCCC[C@H]1CCOc1cccc(Br)c1 ZINC000043658469 175085768 /nfs/dbraw/zinc/08/57/68/175085768.db2.gz BMLIQHBCFAMJGD-SMDDNHRTSA-N 0 0 299.208 3.769 10 0 CHAERN CCC[C@@H](O)CCc1ccc(F)cc1Br ZINC000043657379 175085914 /nfs/dbraw/zinc/08/59/14/175085914.db2.gz UKXJOXUCENXDFS-LLVKDONJSA-N 0 0 275.161 3.682 10 0 CHAERN Cc1ccc(N)c(OCc2sccc2Br)c1 ZINC000043674189 175087985 /nfs/dbraw/zinc/08/79/85/175087985.db2.gz FRUAVAQNIQQUDW-UHFFFAOYSA-N 0 0 298.205 3.980 10 0 CHAERN Cc1cc(F)ccc1-c1ccc(Br)nc1 ZINC000044121766 175143142 /nfs/dbraw/zinc/14/31/42/175143142.db2.gz QSXBZFDIUOOFOD-UHFFFAOYSA-N 0 0 266.113 3.959 10 0 CHAERN Cc1nccn1C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000044181114 175151315 /nfs/dbraw/zinc/15/13/15/175151315.db2.gz IKGZRXPCTLSNPT-SFHVURJKSA-N 0 0 278.355 3.592 10 0 CHAERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(Br)o1 ZINC000044316309 175162696 /nfs/dbraw/zinc/16/26/96/175162696.db2.gz PKRIKCABXIBFSQ-SECBINFHSA-N 0 0 288.185 3.549 10 0 CHAERN COc1ccc(Cn2cncc2-c2ccccc2)cc1 ZINC000045338026 175360957 /nfs/dbraw/zinc/36/09/57/175360957.db2.gz AZQFSYIIRUWICT-UHFFFAOYSA-N 0 0 264.328 3.607 10 0 in-vivo CHAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)c1ccccc1 ZINC000048102804 175419890 /nfs/dbraw/zinc/41/98/90/175419890.db2.gz AZXXPTCRORAFKZ-LLVKDONJSA-N 0 0 260.720 3.990 10 0 CHAERN COc1ccc(-c2ccc(OC)c(Cl)c2)cc1O ZINC000065342745 175712362 /nfs/dbraw/zinc/71/23/62/175712362.db2.gz GTLQLOLUVIAFPB-UHFFFAOYSA-N 0 0 264.708 3.730 10 0 CHAERN O=Cc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344034 175713729 /nfs/dbraw/zinc/71/37/29/175713729.db2.gz SIVKTEJKULGMBY-UHFFFAOYSA-N 0 0 282.217 3.770 10 0 CHAERN CC[C@H](C)NC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000070236789 175882781 /nfs/dbraw/zinc/88/27/81/175882781.db2.gz JPBIZIWCCTVTJO-YFKPBYRVSA-N 0 0 281.570 3.570 10 0 CHAERN Cc1sc2ncnc(N[C@H](C)c3nccs3)c2c1C ZINC000070942174 176015433 /nfs/dbraw/zinc/01/54/33/176015433.db2.gz HXMVJXSUTOLSTN-MRVPVSSYSA-N 0 0 290.417 3.938 10 0 CHAERN COc1ccc(C[C@@](C)(O)c2ccc(Cl)cc2)cc1 ZINC000071169339 176049762 /nfs/dbraw/zinc/04/97/62/176049762.db2.gz KYSPEASARKORMJ-MRXNPFEDSA-N 0 0 276.763 3.799 10 0 CHAERN COc1ccc(C)cc1Nc1nnc(Cl)c(C)c1C ZINC000071171045 176051448 /nfs/dbraw/zinc/05/14/48/176051448.db2.gz KVYMBDKXHFUONY-UHFFFAOYSA-N 0 0 277.755 3.807 10 0 CHAERN Ic1cc2sccc2s1 ZINC000071186826 176060092 /nfs/dbraw/zinc/06/00/92/176060092.db2.gz RNOHFEQNOLLHMD-UHFFFAOYSA-N 0 0 266.128 3.567 10 0 CHAERN CCCc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CO ZINC000071193752 176075762 /nfs/dbraw/zinc/07/57/62/176075762.db2.gz AYIRFELDSOYIGO-UHFFFAOYSA-N 0 0 299.201 3.683 10 0 CHAERN C[C@@H]1CCC[C@@H]1Nc1nnc(Cl)c2ccccc21 ZINC000071210657 176082919 /nfs/dbraw/zinc/08/29/19/176082919.db2.gz JNSNAAJTPQQOAI-SKDRFNHKSA-N 0 0 261.756 3.884 10 0 CHAERN O=c1cc(-c2cc(=O)c3ccccc3o2)oc2ccccc12 ZINC000071261104 176096253 /nfs/dbraw/zinc/09/62/53/176096253.db2.gz LRNUARLNRGDAIA-UHFFFAOYSA-N 0 0 290.274 3.566 10 0 CHAERN Cc1ccncc1NC1CC(c2cccc(F)c2)C1 ZINC000071413683 176159149 /nfs/dbraw/zinc/15/91/49/176159149.db2.gz VKAPKDTUJYTZTN-UHFFFAOYSA-N 0 0 256.324 3.887 10 0 CHAERN Cc1nc2c(Br)cnn2c(Cl)c1C(C)C ZINC000071475560 176186736 /nfs/dbraw/zinc/18/67/36/176186736.db2.gz MPXVTWNJXKOWNH-UHFFFAOYSA-N 0 0 288.576 3.577 10 0 CHAERN COc1cc2ccnc(Br)c2cc1Cl ZINC000071482562 176189011 /nfs/dbraw/zinc/18/90/11/176189011.db2.gz JZHRTOCBZNZQNI-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN CC(C)(C)c1ccc2[nH]cc(Br)c(=O)c2c1 ZINC000071482365 176189110 /nfs/dbraw/zinc/18/91/10/176189110.db2.gz IWGNLZKNFZHZTH-UHFFFAOYSA-N 0 0 280.165 3.588 10 0 CHAERN Clc1cccc(-n2nccc2-c2ccccn2)c1 ZINC000072190538 176336161 /nfs/dbraw/zinc/33/61/61/176336161.db2.gz LCEMYDQRBPVSSQ-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN FC(F)(F)c1ccccc1-n1cc(Br)cn1 ZINC000072193391 176336787 /nfs/dbraw/zinc/33/67/87/176336787.db2.gz KXSMWZROBMTNPU-UHFFFAOYSA-N 0 0 291.070 3.654 10 0 CHAERN COc1cccc(-c2cc(Br)ccn2)c1 ZINC000072204592 176342530 /nfs/dbraw/zinc/34/25/30/176342530.db2.gz MEPYETQWQMCRJA-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN Cc1ccc2nccc(Br)c2c1Cl ZINC000072232975 176344134 /nfs/dbraw/zinc/34/41/34/176344134.db2.gz BJXIQMNBPXLBGO-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Cc1noc(-c2cnc(NC3CC3)nc2-c2ccco2)c1C ZINC000072398389 176396356 /nfs/dbraw/zinc/39/63/56/176396356.db2.gz WLEXVTGTVPKIHS-UHFFFAOYSA-N 0 0 296.330 3.583 10 0 CHAERN Cc1[nH]nc2c1[C@@H](O)C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000072415158 176399578 /nfs/dbraw/zinc/39/95/78/176399578.db2.gz URGIKBWPMHYLKC-HOCLYGCPSA-N 0 0 270.376 3.605 10 0 CHAERN CCCSc1nc(Br)c2ccccn21 ZINC000076409517 177019964 /nfs/dbraw/zinc/01/99/64/177019964.db2.gz WJIQQBMSWUAVOH-UHFFFAOYSA-N 0 0 271.183 3.599 10 0 CHAERN CCCCN(CCCC)c1ncc(N)cc1Cl ZINC000077017963 177151805 /nfs/dbraw/zinc/15/18/05/177151805.db2.gz QZHAYUNJQRJHLZ-UHFFFAOYSA-N 0 0 255.793 3.724 10 0 CHAERN Cc1ccccc1[C@H](C)Nc1ncc(Br)cn1 ZINC000067119894 224657068 /nfs/dbraw/zinc/65/70/68/224657068.db2.gz DDUUHEMYIZSWDE-JTQLQIEISA-N 0 0 292.180 3.721 10 0 CHAERN FC1(F)CCC(c2nc([C@H]3CC34CC4)no2)CC1 ZINC000334969612 225378441 /nfs/dbraw/zinc/37/84/41/225378441.db2.gz MEDCJPDHNYARPN-SECBINFHSA-N 0 0 254.280 3.630 10 0 CHAERN Cc1ccc(Cl)c(NC(=O)N2CCS[C@@H](C)C2)c1C ZINC000334996044 225390055 /nfs/dbraw/zinc/39/00/55/225390055.db2.gz XTSPKAIEJDZQFT-JTQLQIEISA-N 0 0 298.839 3.926 10 0 CHAERN C[C@H](Cc1cccc(F)c1)Nc1ncnc2ccccc21 ZINC000301295779 227503077 /nfs/dbraw/zinc/50/30/77/227503077.db2.gz RORXTNKTFYWQHA-GFCCVEGCSA-N 0 0 281.334 3.812 10 0 CHAERN COc1ccnc(N[C@@H](c2cccs2)C(C)(C)C)n1 ZINC000301587681 227599033 /nfs/dbraw/zinc/59/90/33/227599033.db2.gz WHDLHHLOSDOQGE-LBPRGKRZSA-N 0 0 277.393 3.746 10 0 CHAERN c1ccc(-c2nsc(N3CC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000301536985 227575430 /nfs/dbraw/zinc/57/54/30/227575430.db2.gz ARVLPPRCOUZTJA-OCCSQVGLSA-N 0 0 285.416 3.974 10 0 CHAERN Cc1cc(N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)nnc1C ZINC000302250248 227833908 /nfs/dbraw/zinc/83/39/08/227833908.db2.gz AGALMHQUTDOPJR-WBMJQRKESA-N 0 0 297.402 3.979 10 0 CHAERN Cc1cc(N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)nnc1C ZINC000302250245 227834292 /nfs/dbraw/zinc/83/42/92/227834292.db2.gz AGALMHQUTDOPJR-LRDDRELGSA-N 0 0 297.402 3.979 10 0 CHAERN C[C@H]1C[C@H](c2nc(-c3cocn3)no2)CC(C)(C)C1 ZINC000333214155 228193143 /nfs/dbraw/zinc/19/31/43/228193143.db2.gz QHYHCWVTQFGGST-UWVGGRQHSA-N 0 0 261.325 3.654 10 0 CHAERN CCC[C@@H](CC)NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000187871213 260062966 /nfs/dbraw/zinc/06/29/66/260062966.db2.gz KGJWRXUOBIFZNN-DOMZBBRYSA-N 0 0 290.407 3.648 10 0 CHAERN O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)CCN2 ZINC000037323277 260087732 /nfs/dbraw/zinc/08/77/32/260087732.db2.gz UNDARQFGBGAMHP-UHFFFAOYSA-N 0 0 295.367 3.517 10 0 CHAERN CCOC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000180173853 260095483 /nfs/dbraw/zinc/09/54/83/260095483.db2.gz UGVMQHFRNUZGFM-XHSDSOJGSA-N 0 0 295.467 3.724 10 0 CHAERN C[C@H]1C[C@H](C(=O)N(CC(F)F)C2CC2)CC(C)(C)C1 ZINC000180279257 260098091 /nfs/dbraw/zinc/09/80/91/260098091.db2.gz CUVBYUNKLSGLJT-QWRGUYRKSA-N 0 0 273.367 3.705 10 0 CHAERN CC(C)COc1cccc(NC(=O)c2ccccc2N)c1 ZINC000037791177 260116914 /nfs/dbraw/zinc/11/69/14/260116914.db2.gz URSXJJKMPCMEPC-UHFFFAOYSA-N 0 0 284.359 3.556 10 0 CHAERN CCOc1ccc(CN2CCCc3c(N)cccc32)cc1 ZINC000037906049 260120011 /nfs/dbraw/zinc/12/00/11/260120011.db2.gz QAQCDIZYWOAGCX-UHFFFAOYSA-N 0 0 282.387 3.620 10 0 CHAERN CC[C@H](Nc1cc(Br)ccn1)C(C)C ZINC000306333120 260121371 /nfs/dbraw/zinc/12/13/71/260121371.db2.gz DWMOTBAOBCOCPU-JTQLQIEISA-N 0 0 257.175 3.691 10 0 CHAERN COc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1OC ZINC000080265830 260179292 /nfs/dbraw/zinc/17/92/92/260179292.db2.gz WMYWSSRZRMRNLS-GHMZBOCLSA-N 0 0 292.404 3.572 10 0 CHAERN COc1cc(NCC2CCC(C)CC2)ccc1NC(C)=O ZINC000089575755 260237698 /nfs/dbraw/zinc/23/76/98/260237698.db2.gz DZRIWAWWPJLDLF-UHFFFAOYSA-N 0 0 290.407 3.892 10 0 CHAERN CNC(=O)c1ccc(C)c(NCC2CCC(C)CC2)c1 ZINC000089576022 260237867 /nfs/dbraw/zinc/23/78/67/260237867.db2.gz XEDIUXKGDGRVMI-UHFFFAOYSA-N 0 0 274.408 3.593 10 0 CHAERN CCn1cccc1CNc1ccccc1N1CCCC1 ZINC000091023790 260265040 /nfs/dbraw/zinc/26/50/40/260265040.db2.gz PVWWXOXKMGNXRJ-UHFFFAOYSA-N 0 0 269.392 3.720 10 0 CHAERN CCn1cccc1CNc1ccccc1OC(F)F ZINC000091022710 260265246 /nfs/dbraw/zinc/26/52/46/260265246.db2.gz OGBHBRLWOMVSCO-UHFFFAOYSA-N 0 0 266.291 3.722 10 0 CHAERN CC1(C)[C@H](Nc2ccc(Br)cc2)[C@@H]2CCO[C@@H]21 ZINC000085629436 260376998 /nfs/dbraw/zinc/37/69/98/260376998.db2.gz FLPAPPQFKAXJOZ-XQQFMLRXSA-N 0 0 296.208 3.675 10 0 CHAERN Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000129238914 260386426 /nfs/dbraw/zinc/38/64/26/260386426.db2.gz ADOUFKHLZTVPAT-AEFFLSMTSA-N 0 0 295.430 3.855 10 0 CHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CCC1 ZINC000151688619 261054382 /nfs/dbraw/zinc/05/43/82/261054382.db2.gz IJNDGQWOIBNBFA-HNNXBMFYSA-N 0 0 285.387 3.739 10 0 CHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1Cc2ccccc2C1 ZINC000154675377 261093940 /nfs/dbraw/zinc/09/39/40/261093940.db2.gz BWHWIIJTGISQMA-IRXDYDNUSA-N 0 0 269.388 3.745 10 0 CHAERN CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)COC)o1 ZINC000155031384 261097328 /nfs/dbraw/zinc/09/73/28/261097328.db2.gz HVIKJNGQAGIGQY-DZGCQCFKSA-N 0 0 293.407 3.568 10 0 CHAERN Fc1cccc(CN2C[C@H]3CCC[C@H]32)c1Br ZINC000449036749 261117510 /nfs/dbraw/zinc/11/75/10/261117510.db2.gz VJQISOWFPYCNDK-BXKDBHETSA-N 0 0 284.172 3.573 10 0 CHAERN CC1(NC(=O)N[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000172169145 261152191 /nfs/dbraw/zinc/15/21/91/261152191.db2.gz AOWQKJRRENIPHN-CQSZACIVSA-N 0 0 288.391 3.532 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cnc(C(C)C)s2)o1 ZINC000158942892 261175226 /nfs/dbraw/zinc/17/52/26/261175226.db2.gz HPQROCSAZFOVCZ-JTQLQIEISA-N 0 0 278.377 3.659 10 0 CHAERN Cc1nc2ccccc2nc1N[C@H](C)c1cccc(O)c1 ZINC000174719855 261194128 /nfs/dbraw/zinc/19/41/28/261194128.db2.gz HUEONACUCTYVAL-LLVKDONJSA-N 0 0 279.343 3.817 10 0 CHAERN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000174979870 261205160 /nfs/dbraw/zinc/20/51/60/261205160.db2.gz ASFNSKDOBNBGPN-JMSVASOKSA-N 0 0 293.357 3.763 10 0 CHAERN CCn1ccnc1CSCc1ccn(-c2ccccc2)n1 ZINC000175297109 261217127 /nfs/dbraw/zinc/21/71/27/261217127.db2.gz LKNWJLXNUGMIOV-UHFFFAOYSA-N 0 0 298.415 3.522 10 0 CHAERN CCn1ccnc1CSCc1cc(F)ccc1F ZINC000175290613 261218898 /nfs/dbraw/zinc/21/88/98/261218898.db2.gz RZXRPHNKOOPBKZ-UHFFFAOYSA-N 0 0 268.332 3.615 10 0 CHAERN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(C)n1 ZINC000176206802 261270388 /nfs/dbraw/zinc/27/03/88/261270388.db2.gz PZULMOOBEPPHJR-CABCVRRESA-N 0 0 272.392 3.853 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000176332254 261278385 /nfs/dbraw/zinc/27/83/85/261278385.db2.gz OESOJAIEKWCSDU-KBPBESRZSA-N 0 0 274.408 3.886 10 0 CHAERN Cc1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1F ZINC000103385201 261280158 /nfs/dbraw/zinc/28/01/58/261280158.db2.gz VAVOULKSCJORSD-UHFFFAOYSA-N 0 0 289.325 3.588 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)c2ccco2)c2ccccc21 ZINC000162742740 261293068 /nfs/dbraw/zinc/29/30/68/261293068.db2.gz PZRKPGIWNSJWEH-FZMZJTMJSA-N 0 0 255.317 3.648 10 0 CHAERN CC1(C)CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104409729 261294222 /nfs/dbraw/zinc/29/42/22/261294222.db2.gz BOINXOSAPIWTAZ-UHFFFAOYSA-N 0 0 286.350 3.631 10 0 CHAERN COC[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104463389 261295100 /nfs/dbraw/zinc/29/51/00/261295100.db2.gz KEYOGNZHCGADLZ-ABAIWWIYSA-N 0 0 295.810 3.580 10 0 CHAERN Cc1ccc([C@@H](C)Nc2ncnc3oc(C)c(C)c32)o1 ZINC000162939396 261300023 /nfs/dbraw/zinc/30/00/23/261300023.db2.gz ZUUNJMDITQGJMS-SNVBAGLBSA-N 0 0 271.320 3.914 10 0 CHAERN Fc1cc(NCc2nc(-c3ccoc3)no2)ccc1Cl ZINC000105606784 261311253 /nfs/dbraw/zinc/31/12/53/261311253.db2.gz IASAGAPGARJWHN-UHFFFAOYSA-N 0 0 293.685 3.734 10 0 CHAERN C[C@H]1CCc2ccccc2N1Cc1nc(-c2ccoc2)no1 ZINC000105607540 261311414 /nfs/dbraw/zinc/31/14/14/261311414.db2.gz ACCOVDIDXXURGG-LBPRGKRZSA-N 0 0 295.342 3.671 10 0 CHAERN CCc1ccc([C@@H](C)NCc2nc(-c3ccoc3)no2)cc1 ZINC000105607493 261311759 /nfs/dbraw/zinc/31/17/59/261311759.db2.gz GTTWZUBYOJSBDP-GFCCVEGCSA-N 0 0 297.358 3.743 10 0 CHAERN CCCc1nnc(N[C@H](C)c2cccs2)s1 ZINC000301677757 261340239 /nfs/dbraw/zinc/34/02/39/261340239.db2.gz RKEDEWGSHQKVPJ-MRVPVSSYSA-N 0 0 253.396 3.725 10 0 CHAERN C[C@@H](NC(=O)CCc1ccoc1)c1ccc(F)c(Cl)c1 ZINC000177179485 261337350 /nfs/dbraw/zinc/33/73/50/261337350.db2.gz KEGOOWRWCGMFKZ-SNVBAGLBSA-N 0 0 295.741 3.882 10 0 CHAERN Cc1cc(Br)cnc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301640422 261339270 /nfs/dbraw/zinc/33/92/70/261339270.db2.gz NBAILHQUMSNGHC-VXGBXAGGSA-N 0 0 293.208 3.555 10 0 CHAERN Cc1cncc(N[C@H](C)c2ccc(Cl)s2)n1 ZINC000302214007 261349706 /nfs/dbraw/zinc/34/97/06/261349706.db2.gz IDDYFOVOZUIWGE-MRVPVSSYSA-N 0 0 253.758 3.673 10 0 CHAERN CCC1(CNC(=O)N2CCC[C@H]2c2ccco2)CCC1 ZINC000177384500 261352042 /nfs/dbraw/zinc/35/20/42/261352042.db2.gz YMTIXUGXAOPLKA-ZDUSSCGKSA-N 0 0 276.380 3.706 10 0 CHAERN CC(C)c1ccc([C@@H](C)N[C@H]2CCCn3ncnc32)cc1 ZINC000164630067 261355913 /nfs/dbraw/zinc/35/59/13/261355913.db2.gz QIPBMRKZEKOQPC-CJNGLKHVSA-N 0 0 284.407 3.587 10 0 CHAERN Cc1ccc([C@H]2CCCCN2Cc2nccn2C(F)F)o1 ZINC000172869901 261513835 /nfs/dbraw/zinc/51/38/35/261513835.db2.gz XZZMVABNONJAGO-GFCCVEGCSA-N 0 0 295.333 3.907 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N(C)CCc2cccs2)o1 ZINC000175341095 261604244 /nfs/dbraw/zinc/60/42/44/261604244.db2.gz PSMLMRIWFFJVEC-GFCCVEGCSA-N 0 0 292.404 3.595 10 0 CHAERN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2C)o1 ZINC000175347475 261604272 /nfs/dbraw/zinc/60/42/72/261604272.db2.gz CGRHLXOCYKUDIF-ZDUSSCGKSA-N 0 0 257.333 3.696 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCCCc2ccccn2)CC(C)(C)C1 ZINC000180499819 261862866 /nfs/dbraw/zinc/86/28/66/261862866.db2.gz CBZGKJQHDUWSBJ-CABCVRRESA-N 0 0 288.435 3.593 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)o1 ZINC000107554324 261891925 /nfs/dbraw/zinc/89/19/25/261891925.db2.gz GGDDDKUNKIHSGA-LLVKDONJSA-N 0 0 268.316 3.560 10 0 CHAERN CC(C)CSCCCn1c2ccccc2nc1[C@H](C)O ZINC000181508100 261900027 /nfs/dbraw/zinc/90/00/27/261900027.db2.gz UKWRGYACVAZMNJ-ZDUSSCGKSA-N 0 0 292.448 3.869 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccco1)[C@H](C)C2 ZINC000181900222 261914535 /nfs/dbraw/zinc/91/45/35/261914535.db2.gz UAKVKVBKQPAVJF-CXAGYDPISA-N 0 0 298.386 3.663 10 0 CHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)CCO1 ZINC000182489175 261940412 /nfs/dbraw/zinc/94/04/12/261940412.db2.gz SYLYPHFGAKYWAA-NJZAAPMLSA-N 0 0 295.810 3.722 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)C1=CCCCCC1 ZINC000185446400 262054859 /nfs/dbraw/zinc/05/48/59/262054859.db2.gz XJMFUJLAXQPHKL-OAHLLOKOSA-N 0 0 271.360 3.517 10 0 CHAERN C[C@@H](NC(=O)N1CCCC2(CC2)C1)c1ccc(F)c(F)c1 ZINC000185455463 262054961 /nfs/dbraw/zinc/05/49/61/262054961.db2.gz SSZSVADLQWTLDF-LLVKDONJSA-N 0 0 294.345 3.611 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)c2ccccc2F)o1 ZINC000108988940 262078505 /nfs/dbraw/zinc/07/85/05/262078505.db2.gz CXWDVEWYOXYADK-NEPJUHHUSA-N 0 0 275.323 3.708 10 0 CHAERN CCO[C@H]1C[C@@H](Nc2ccc(C)cc2F)C12CCOCC2 ZINC000186470740 262094708 /nfs/dbraw/zinc/09/47/08/262094708.db2.gz DGJSYCHVXDEULO-CVEARBPZSA-N 0 0 293.382 3.520 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cc(F)ccc2C)C12CCOCC2 ZINC000186476014 262094873 /nfs/dbraw/zinc/09/48/73/262094873.db2.gz AJPQJRBISGQFHU-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN c1ccc2sc(N[C@@H]3COc4ccccc43)nc2c1 ZINC000058545111 262385773 /nfs/dbraw/zinc/38/57/73/262385773.db2.gz YWHQIUPIPFNGHJ-GFCCVEGCSA-N 0 0 268.341 3.842 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000171930421 335085518 /nfs/dbraw/zinc/08/55/18/335085518.db2.gz DVLQFNNLUMNLFF-ZJUUUORDSA-N 0 0 271.763 3.948 10 0 CHAERN CC(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000171930426 335085579 /nfs/dbraw/zinc/08/55/79/335085579.db2.gz DVLQFNNLUMNLFF-UWVGGRQHSA-N 0 0 271.763 3.948 10 0 CHAERN C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C)c1ccc(Cl)s1 ZINC000093151666 262996291 /nfs/dbraw/zinc/99/62/91/262996291.db2.gz LWAUWQOYVNJUED-BBBLOLIVSA-N 0 0 298.839 3.760 10 0 CHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(C)C ZINC000187725661 263266920 /nfs/dbraw/zinc/26/69/20/263266920.db2.gz CQCUMRHHVCAWHF-ZDUSSCGKSA-N 0 0 287.407 3.744 10 0 CHAERN C[C@H]1CCC[C@H](CC(=O)N2CCCc3c(N)cccc32)C1 ZINC000126558493 264222877 /nfs/dbraw/zinc/22/28/77/264222877.db2.gz PMUQOQPDCFAUOF-KBPBESRZSA-N 0 0 286.419 3.764 10 0 CHAERN CC(C)[C@H](C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000190397346 264356189 /nfs/dbraw/zinc/35/61/89/264356189.db2.gz RLKDFRKQFJPTGV-LBPRGKRZSA-N 0 0 279.811 3.823 10 0 CHAERN Cc1ccc([C@@H](C)NCc2cnc(C(C)(C)C)nc2)o1 ZINC000284392460 264535577 /nfs/dbraw/zinc/53/55/77/264535577.db2.gz PEZGZIXNVKJKJF-GFCCVEGCSA-N 0 0 273.380 3.526 10 0 CHAERN Cc1cnc(N[C@H](C)c2cccc(Br)c2)nc1 ZINC000063048673 264629619 /nfs/dbraw/zinc/62/96/19/264629619.db2.gz QYBKSOSSMSVRHM-SNVBAGLBSA-N 0 0 292.180 3.721 10 0 CHAERN CC1(C)CCCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000335828695 265219350 /nfs/dbraw/zinc/21/93/50/265219350.db2.gz AOSDJGYQEGZOCK-GHMZBOCLSA-N 0 0 250.342 3.605 10 0 CHAERN Nc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000094545478 265247165 /nfs/dbraw/zinc/24/71/65/265247165.db2.gz SRGCKQWHIZSNSL-UHFFFAOYSA-N 0 0 284.403 3.814 10 0 CHAERN C[C@@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000114400993 266242056 /nfs/dbraw/zinc/24/20/56/266242056.db2.gz LVAZFWRMRZIUNN-BBRMVZONSA-N 0 0 289.423 3.680 10 0 CHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1cccc(Cl)c1 ZINC000171727203 327675935 /nfs/dbraw/zinc/67/59/35/327675935.db2.gz BKXLCQIQWMMROL-QWRGUYRKSA-N 0 0 298.839 3.548 10 0 CHAERN CCc1ccc([C@H](C)Nc2ncc(C)c(C)n2)cc1 ZINC000301897783 327719059 /nfs/dbraw/zinc/71/90/59/327719059.db2.gz WDVMTIMCCYENKS-ZDUSSCGKSA-N 0 0 255.365 3.829 10 0 CHAERN Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3)ccc1F ZINC000063056171 327908047 /nfs/dbraw/zinc/90/80/47/327908047.db2.gz MDEVVCHQKQFUDH-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN CC(C)c1nccnc1N[C@H]1CCCc2sccc21 ZINC000413235249 328143105 /nfs/dbraw/zinc/14/31/05/328143105.db2.gz QAAVQRFCDPFPJG-LBPRGKRZSA-N 0 0 273.405 3.573 10 0 CHAERN CSc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1Cl ZINC000176114510 329173942 /nfs/dbraw/zinc/17/39/42/329173942.db2.gz RCKSXXCRKMSMDH-XVKPBYJWSA-N 0 0 270.785 3.592 10 0 CHAERN CC(Cl)(Cl)C(=O)N1CC=C(c2cccs2)CC1 ZINC000180908535 329223868 /nfs/dbraw/zinc/22/38/68/329223868.db2.gz PNWGYDHKGAYMTI-UHFFFAOYSA-N 0 0 290.215 3.558 10 0 CHAERN CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000049268645 328353316 /nfs/dbraw/zinc/35/33/16/328353316.db2.gz WSOJQFRSGRUGJJ-RKDXNWHRSA-N 0 0 272.751 3.638 10 0 CHAERN CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000049368074 328355907 /nfs/dbraw/zinc/35/59/07/328355907.db2.gz IZTBZNZNHWEKDS-CHWSQXEVSA-N 0 0 277.408 3.586 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)c1c(F)ccc(F)c1F ZINC000163578060 328375806 /nfs/dbraw/zinc/37/58/06/328375806.db2.gz VYESLCNPWNQILC-JTQLQIEISA-N 0 0 293.288 3.903 10 0 CHAERN CSC[C@@H](C)Nc1nccc(Oc2ccc(F)cc2)n1 ZINC000301353480 533707231 /nfs/dbraw/zinc/70/72/31/533707231.db2.gz WXIBFOXGHSQJNE-SNVBAGLBSA-N 0 0 293.367 3.571 10 0 CHAERN C[C@@]12CC=C3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000004369813 326811513 /nfs/dbraw/zinc/81/15/13/326811513.db2.gz FABGTKBXHAEVKL-VSZNYVQBSA-N 0 0 270.372 3.519 10 0 CHAERN Cc1cnc([C@H](C)NCc2cc(C)cc(Cl)c2)o1 ZINC000339394340 327010300 /nfs/dbraw/zinc/01/03/00/327010300.db2.gz QRHGVQZFCIISSO-NSHDSACASA-N 0 0 264.756 3.796 10 0 CHAERN FC(F)(F)CCCCNc1ncnc2ccccc21 ZINC000128947478 327154963 /nfs/dbraw/zinc/15/49/63/327154963.db2.gz DDBJQZXJJHXOKO-UHFFFAOYSA-N 0 0 269.270 3.774 10 0 CHAERN Cc1cccc(C)c1CN1CCCc2c(N)cccc21 ZINC000215516715 327207490 /nfs/dbraw/zinc/20/74/90/327207490.db2.gz HOGYTDSFTKRNCL-UHFFFAOYSA-N 0 0 266.388 3.838 10 0 CHAERN COC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000036980590 327209253 /nfs/dbraw/zinc/20/92/53/327209253.db2.gz LYBUTLHDWOQPRW-GOEBONIOSA-N 0 0 277.408 3.542 10 0 CHAERN CC[C@@H](Nc1ncccc1Br)C(C)C ZINC000042590833 328769547 /nfs/dbraw/zinc/76/95/47/328769547.db2.gz YBEZTRKYNYXBFX-SNVBAGLBSA-N 0 0 257.175 3.691 10 0 CHAERN CC(C)[C@@H](C)NC(=O)CNc1ccc(C(C)(C)C)cc1 ZINC000042307082 328764840 /nfs/dbraw/zinc/76/48/40/328764840.db2.gz DAIXHPLDCDQAEZ-CYBMUJFWSA-N 0 0 276.424 3.557 10 0 CHAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000103359857 328768040 /nfs/dbraw/zinc/76/80/40/328768040.db2.gz MWGNMTWFYLYTDT-HUUCEWRRSA-N 0 0 297.398 3.813 10 0 CHAERN O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116039566 328933711 /nfs/dbraw/zinc/93/37/11/328933711.db2.gz NHIMTOHUBWQOAL-CYBMUJFWSA-N 0 0 277.270 3.535 10 0 CHAERN CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116042498 328933958 /nfs/dbraw/zinc/93/39/58/328933958.db2.gz JKERVUWXHLCXLM-LSDHHAIUSA-N 0 0 291.391 3.681 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000193749767 329061373 /nfs/dbraw/zinc/06/13/73/329061373.db2.gz QXAXXLWGADKWSM-MLGOLLRUSA-N 0 0 297.402 3.902 10 0 CHAERN C[C@H](NC(=O)Nc1ccncn1)c1ccc(C(C)(C)C)cc1 ZINC000194091552 329065521 /nfs/dbraw/zinc/06/55/21/329065521.db2.gz WKOKBHNBDHYENX-LBPRGKRZSA-N 0 0 298.390 3.657 10 0 CHAERN Cc1ccc(Cl)cc1NC(=O)N1CCS[C@@H](C)C1 ZINC000171359662 329073696 /nfs/dbraw/zinc/07/36/96/329073696.db2.gz AYXBMKAPXQBPMV-JTQLQIEISA-N 0 0 284.812 3.618 10 0 CHAERN Clc1ncccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000171081314 329074623 /nfs/dbraw/zinc/07/46/23/329074623.db2.gz AYXXHHRDUWKRLR-GFCCVEGCSA-N 0 0 293.823 3.571 10 0 CHAERN CCCCCCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615253 329074902 /nfs/dbraw/zinc/07/49/02/329074902.db2.gz VHMWLEZCFGLMSO-UHFFFAOYSA-N 0 0 288.435 3.833 10 0 CHAERN CC(C)[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000171453342 329076250 /nfs/dbraw/zinc/07/62/50/329076250.db2.gz XAKDKVDHMFEBQJ-RHSMWYFYSA-N 0 0 297.402 3.515 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1cccs1 ZINC000172111685 329081312 /nfs/dbraw/zinc/08/13/12/329081312.db2.gz IPXOHXFQYFGECR-NWDGAFQWSA-N 0 0 290.388 3.949 10 0 CHAERN c1coc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)c1 ZINC000172026814 329083332 /nfs/dbraw/zinc/08/33/32/329083332.db2.gz RNLHSRUVEYNMKV-CQSZACIVSA-N 0 0 295.342 3.667 10 0 CHAERN Fc1ccc(F)c(CN2CCC[C@H]2c2ccco2)c1 ZINC000172025360 329083341 /nfs/dbraw/zinc/08/33/41/329083341.db2.gz YIUWBYUPHBIMGJ-AWEZNQCLSA-N 0 0 263.287 3.895 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000173407048 329146674 /nfs/dbraw/zinc/14/66/74/329146674.db2.gz NJYKFVIZNFAUBG-CQSZACIVSA-N 0 0 292.448 3.738 10 0 CHAERN Clc1cccc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000173602919 329149702 /nfs/dbraw/zinc/14/97/02/329149702.db2.gz DBQUSQYVKWAYCF-NSHDSACASA-N 0 0 293.823 3.571 10 0 CHAERN CCCCCC[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000173853427 329152908 /nfs/dbraw/zinc/15/29/08/329152908.db2.gz IPDMBHDDRKUICG-AWEZNQCLSA-N 0 0 291.439 3.722 10 0 CHAERN CCSCC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000174275306 329156334 /nfs/dbraw/zinc/15/63/34/329156334.db2.gz KTZJTCUSORSJHN-QWHCGFSZSA-N 0 0 296.436 3.658 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC3(CCCC3)C2)o1 ZINC000175340418 329164877 /nfs/dbraw/zinc/16/48/77/329164877.db2.gz AVBRTVAALDECHW-CYBMUJFWSA-N 0 0 276.380 3.625 10 0 CHAERN Clc1ncc(CN2CCC[C@H](c3nccs3)C2)s1 ZINC000175419433 329165556 /nfs/dbraw/zinc/16/55/56/329165556.db2.gz KJLLQIYKKAWCCZ-VIFPVBQESA-N 0 0 299.852 3.633 10 0 CHAERN Clc1ncc(CN2CCC[C@@H]2c2ccco2)s1 ZINC000175446489 329168716 /nfs/dbraw/zinc/16/87/16/329168716.db2.gz VJNRTKJDRMYATL-SNVBAGLBSA-N 0 0 268.769 3.727 10 0 CHAERN Cc1cccc2[nH]c(CCC(=O)NC3(C)CCCCC3)nc21 ZINC000175756195 329171566 /nfs/dbraw/zinc/17/15/66/329171566.db2.gz BVHJYBDYRUVPLS-UHFFFAOYSA-N 0 0 299.418 3.643 10 0 CHAERN C[C@H](NC(=O)N1CCCC[C@@H]1c1nccs1)C(C)(C)C ZINC000176356250 329174820 /nfs/dbraw/zinc/17/48/20/329174820.db2.gz DZFDHENAGBEBHF-NWDGAFQWSA-N 0 0 295.452 3.814 10 0 CHAERN COc1csc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000176412113 329175295 /nfs/dbraw/zinc/17/52/95/329175295.db2.gz XJXDPKLZWFZBNB-UHFFFAOYSA-N 0 0 299.395 3.686 10 0 CHAERN O=C(CCC1CCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176465964 329175794 /nfs/dbraw/zinc/17/57/94/329175794.db2.gz GHVTZQAQVVWAAP-CYBMUJFWSA-N 0 0 278.421 3.777 10 0 CHAERN COCCC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178612476 329201313 /nfs/dbraw/zinc/20/13/13/329201313.db2.gz VCRICXUQRSJHMC-CRAIPNDOSA-N 0 0 284.403 3.576 10 0 CHAERN Cc1cnc([C@@H](C)NCc2ccc(Cl)s2)o1 ZINC000220903810 329203986 /nfs/dbraw/zinc/20/39/86/329203986.db2.gz GSDJKPPLPKJEQI-MRVPVSSYSA-N 0 0 256.758 3.549 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cncc(F)c1 ZINC000179812977 329212386 /nfs/dbraw/zinc/21/23/86/329212386.db2.gz FBJOPYSMUHXWMU-LLVKDONJSA-N 0 0 299.349 3.669 10 0 CHAERN COC[C@H](NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1)c1ccco1 ZINC000180344348 329215435 /nfs/dbraw/zinc/21/54/35/329215435.db2.gz CCTOCRTWLDJQDS-IHRRRGAJSA-N 0 0 293.407 3.546 10 0 CHAERN COC[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ccco1 ZINC000180344364 329215458 /nfs/dbraw/zinc/21/54/58/329215458.db2.gz CCTOCRTWLDJQDS-MCIONIFRSA-N 0 0 293.407 3.546 10 0 CHAERN C[C@H]1C[C@H](C(=O)N2CCC3(CCC3)C2)CC(C)(C)C1 ZINC000180435257 329217020 /nfs/dbraw/zinc/21/70/20/329217020.db2.gz ROYBNUGWQRKDAV-KBPBESRZSA-N 0 0 263.425 3.851 10 0 CHAERN Cc1nnc(CN[C@H](C)c2ccc(Cl)c(Cl)c2)o1 ZINC000181060737 329225541 /nfs/dbraw/zinc/22/55/41/329225541.db2.gz RCKXEOVHDRTBMU-SSDOTTSWSA-N 0 0 286.162 3.536 10 0 CHAERN CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000181479851 329233664 /nfs/dbraw/zinc/23/36/64/329233664.db2.gz YTUHRVKPNJZDMI-SUMWQHHRSA-N 0 0 297.402 3.662 10 0 CHAERN CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000181479908 329233667 /nfs/dbraw/zinc/23/36/67/329233667.db2.gz YTUHRVKPNJZDMI-DYVFJYSZSA-N 0 0 297.402 3.662 10 0 CHAERN C[C@H](NCc1ncc(-c2ccccc2F)o1)c1ccncc1 ZINC000181591198 329235032 /nfs/dbraw/zinc/23/50/32/329235032.db2.gz PBMHOVPHFKDORU-LBPRGKRZSA-N 0 0 297.333 3.727 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)COC(C)(C)C)c2ccccc21 ZINC000183507689 329248405 /nfs/dbraw/zinc/24/84/05/329248405.db2.gz ATHDLWANTICPEQ-WFASDCNBSA-N 0 0 275.392 3.556 10 0 CHAERN CCc1cnc(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000184066095 329255608 /nfs/dbraw/zinc/25/56/08/329255608.db2.gz BKLRIDHFIAAPQQ-RYUDHWBXSA-N 0 0 294.464 3.784 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)Nc2ccncc2F)c2ccccc21 ZINC000184129133 329256517 /nfs/dbraw/zinc/25/65/17/329256517.db2.gz NGMRFBJZNKPBJG-NHYWBVRUSA-N 0 0 299.349 3.981 10 0 CHAERN O[C@H]1CCOc2c(NC3CC(c4ccccc4)C3)cccc21 ZINC000184573322 329260088 /nfs/dbraw/zinc/26/00/88/329260088.db2.gz DCNXVTBYPACQAO-JMLCCBQJSA-N 0 0 295.382 3.861 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)CC(C)C)C2)n1 ZINC000184828453 329263118 /nfs/dbraw/zinc/26/31/18/329263118.db2.gz DGZMFBGVXMYNIB-TZMCWYRMSA-N 0 0 294.464 3.840 10 0 CHAERN CC(C)C[C@@H](C)C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000184768199 329264118 /nfs/dbraw/zinc/26/41/18/329264118.db2.gz WYVXMOCRXNVCPN-OAHLLOKOSA-N 0 0 288.435 3.545 10 0 CHAERN O=C(C=C1CCC1)N1CC=C(c2ccccc2F)CC1 ZINC000186128357 329338427 /nfs/dbraw/zinc/33/84/27/329338427.db2.gz XFDVWMGRHRXKRF-UHFFFAOYSA-N 0 0 271.335 3.552 10 0 CHAERN CCC[C@@H](CC)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186550609 329345254 /nfs/dbraw/zinc/34/52/54/329345254.db2.gz TXZABAJUDKRRPJ-GFCCVEGCSA-N 0 0 261.369 3.655 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)C1CCCC1 ZINC000186557452 329345494 /nfs/dbraw/zinc/34/54/94/329345494.db2.gz DBJQTGYNIHAWQZ-NSHDSACASA-N 0 0 273.380 3.655 10 0 CHAERN Cc1nc(NC(=O)[C@H]2CCC[C@@H]2C)ccc1Br ZINC000230058559 329362276 /nfs/dbraw/zinc/36/22/76/329362276.db2.gz FDDYFOHWNJXUGZ-WPRPVWTQSA-N 0 0 297.196 3.527 10 0 CHAERN CSc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1Cl ZINC000188754161 329373094 /nfs/dbraw/zinc/37/30/94/329373094.db2.gz DSGROSLNOIXJLT-KOLCDFICSA-N 0 0 299.823 3.816 10 0 CHAERN O=C(c1ccc(C2CCC2)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000188912030 329373228 /nfs/dbraw/zinc/37/32/28/329373228.db2.gz ITIMUJBMKUQPRY-QZTJIDSGSA-N 0 0 299.414 3.738 10 0 CHAERN O=C(c1ccc(C2CCC2)cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000188911981 329373281 /nfs/dbraw/zinc/37/32/81/329373281.db2.gz ITIMUJBMKUQPRY-ZWKOTPCHSA-N 0 0 299.414 3.738 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000189060572 329375315 /nfs/dbraw/zinc/37/53/15/329375315.db2.gz RFXRROVYHUDEKT-MRVPVSSYSA-N 0 0 297.811 3.739 10 0 CHAERN Fc1ccc(CN2CC=C(c3cccs3)CC2)cn1 ZINC000189375853 329380352 /nfs/dbraw/zinc/38/03/52/329380352.db2.gz KTYXMIUQGIDESS-UHFFFAOYSA-N 0 0 274.364 3.572 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCO[C@@H]2C)c2ccccc21 ZINC000189726053 329387652 /nfs/dbraw/zinc/38/76/52/329387652.db2.gz MHGUKLFYFZIZJI-SMKXDYDZSA-N 0 0 287.403 3.556 10 0 CHAERN Cc1ccnc(N[C@H](C)C(C)C)c1Br ZINC000232677366 329391193 /nfs/dbraw/zinc/39/11/93/329391193.db2.gz IOISNIDPGFSQIU-SECBINFHSA-N 0 0 257.175 3.609 10 0 CHAERN CCOC1CC(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000190011396 329391719 /nfs/dbraw/zinc/39/17/19/329391719.db2.gz IXKKHKVDKYKNGL-MHVXSEJMSA-N 0 0 293.451 3.524 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C2CCCC2)n1 ZINC000190372152 329395540 /nfs/dbraw/zinc/39/55/40/329395540.db2.gz NEQCBIWYJJEJKR-RYUDHWBXSA-N 0 0 264.369 3.646 10 0 CHAERN CC(C)(C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191205470 329410714 /nfs/dbraw/zinc/41/07/14/329410714.db2.gz MSXPDKLWEVIBGR-NSHDSACASA-N 0 0 281.346 3.717 10 0 CHAERN CC(C)C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccccc1 ZINC000191646372 329416083 /nfs/dbraw/zinc/41/60/83/329416083.db2.gz WEWOFDQLSUFQCA-UAGQMJEPSA-N 0 0 289.419 3.705 10 0 CHAERN CC[C@H](C)CC(=O)N1CC=C(c2cccs2)CC1 ZINC000191900517 329421925 /nfs/dbraw/zinc/42/19/25/329421925.db2.gz SXRFXEDGUZXFCE-LBPRGKRZSA-N 0 0 263.406 3.800 10 0 CHAERN CN1Cc2cc(N[C@H]3CCCc4occc43)ccc2NC1=O ZINC000193304352 329439830 /nfs/dbraw/zinc/43/98/30/329439830.db2.gz GGETUCQGRRDLEN-HNNXBMFYSA-N 0 0 297.358 3.746 10 0 CHAERN CCc1ccccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117570519 329546452 /nfs/dbraw/zinc/54/64/52/329546452.db2.gz KYPPKFGPULLMAZ-PXAZEXFGSA-N 0 0 281.355 3.752 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)c2ccccc21 ZINC000190854533 329550988 /nfs/dbraw/zinc/55/09/88/329550988.db2.gz UAKUPYKWAICBSE-MEDUHNTESA-N 0 0 295.386 3.656 10 0 CHAERN CC[C@H](SC)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000124924884 329575303 /nfs/dbraw/zinc/57/53/03/329575303.db2.gz WLRQANSFQCQATD-GLQYFDAESA-N 0 0 277.433 3.883 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2C)o1 ZINC000127434759 329599709 /nfs/dbraw/zinc/59/97/09/329599709.db2.gz SJPAGDQUXCZSQJ-AWEZNQCLSA-N 0 0 273.332 3.857 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)nc2C)o1 ZINC000127657040 329601270 /nfs/dbraw/zinc/60/12/70/329601270.db2.gz IXYZUSJZEKNMBT-INIZCTEOSA-N 0 0 298.386 3.967 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C)nc2)o1 ZINC000127947911 329603528 /nfs/dbraw/zinc/60/35/28/329603528.db2.gz VCGUPZGDXGFRNB-HNNXBMFYSA-N 0 0 284.359 3.659 10 0 CHAERN CC(C)(C)c1nc(CN2CC=C(c3ccccc3)CC2)no1 ZINC000046058244 329604051 /nfs/dbraw/zinc/60/40/51/329604051.db2.gz GPNWUXCHWJYJMO-UHFFFAOYSA-N 0 0 297.402 3.656 10 0 CHAERN CCC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000130760090 329627678 /nfs/dbraw/zinc/62/76/78/329627678.db2.gz KLJHZIUYUCDSRY-GOEBONIOSA-N 0 0 298.434 3.806 10 0 CHAERN CCC[C@@H](CC)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000130850144 329628954 /nfs/dbraw/zinc/62/89/54/329628954.db2.gz MUVYZPZZYXYYSZ-IUODEOHRSA-N 0 0 291.370 3.775 10 0 CHAERN CSc1ccc(C)c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000058968098 329679148 /nfs/dbraw/zinc/67/91/48/329679148.db2.gz TVGCMEQADPEDSY-OAHLLOKOSA-N 0 0 299.395 3.580 10 0 CHAERN Cc1nccc(N2CC[C@H](C)[C@H]2c2cccc(F)c2)n1 ZINC000245422383 329698617 /nfs/dbraw/zinc/69/86/17/329698617.db2.gz POULYUDMYAOMIF-ZBEGNZNMSA-N 0 0 271.339 3.512 10 0 CHAERN C[C@H]1C[C@H](C(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)C1 ZINC000245766773 329746949 /nfs/dbraw/zinc/74/69/49/329746949.db2.gz WNZHVKIYUIMDNE-NHIYQJMISA-N 0 0 287.403 3.699 10 0 CHAERN CC(C)C[C@H](C)CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047391 329850275 /nfs/dbraw/zinc/85/02/75/329850275.db2.gz SPEJXHMCZNLEMK-KBPBESRZSA-N 0 0 294.464 3.921 10 0 CHAERN Cc1csc(C2CCN(C(=O)C[C@H](C)C(C)C)CC2)n1 ZINC000067923991 329851310 /nfs/dbraw/zinc/85/13/10/329851310.db2.gz IAFCBHDBMRBBDW-LBPRGKRZSA-N 0 0 294.464 3.840 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)cc1C ZINC000074909222 329865611 /nfs/dbraw/zinc/86/56/11/329865611.db2.gz UNMYEDXDNSYYQR-CQSZACIVSA-N 0 0 286.400 3.737 10 0 CHAERN C[C@H]1CCN(C(=O)c2ccc(C=O)cc2)[C@@H](c2ccco2)C1 ZINC000075389536 329866611 /nfs/dbraw/zinc/86/66/11/329866611.db2.gz OJHBJNYYZTYTCF-XJKSGUPXSA-N 0 0 297.354 3.706 10 0 CHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000248292998 329888914 /nfs/dbraw/zinc/88/89/14/329888914.db2.gz XFSXWNBZWAVFMO-PVAVHDDUSA-N 0 0 287.403 3.534 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000248366579 329889831 /nfs/dbraw/zinc/88/98/31/329889831.db2.gz SHNYIPSQBRXOPN-KNCOVGOOSA-N 0 0 273.376 3.688 10 0 CHAERN C[C@@H]1C[C@H](C(=O)NCC[C@H]2CCCCO2)CC(C)(C)C1 ZINC000248622182 329896002 /nfs/dbraw/zinc/89/60/02/329896002.db2.gz YFXVKONDPUGXSI-QLFBSQMISA-N 0 0 281.440 3.524 10 0 CHAERN C[C@H](NC(=O)c1ccncc1F)c1ccc2ccccc2c1 ZINC000078064078 329941742 /nfs/dbraw/zinc/94/17/42/329941742.db2.gz CNGQHZFZKMMCME-LBPRGKRZSA-N 0 0 294.329 3.865 10 0 CHAERN CCCC[C@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263396045 330054174 /nfs/dbraw/zinc/05/41/74/330054174.db2.gz GQBZLBBYKDZGPT-FZMZJTMJSA-N 0 0 283.799 3.504 10 0 CHAERN CCC1CCC(Nc2ncc(Br)cn2)CC1 ZINC000082661951 330355111 /nfs/dbraw/zinc/35/51/11/330355111.db2.gz JWZHCSPQFSMEGQ-UHFFFAOYSA-N 0 0 284.201 3.620 10 0 CHAERN CCC(=O)N[C@@H]1CCCOc2c3ccccc3ccc21 ZINC000084229281 330361596 /nfs/dbraw/zinc/36/15/96/330361596.db2.gz COCRSBJGAGFCHR-OAHLLOKOSA-N 0 0 269.344 3.580 10 0 CHAERN CC1(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000119109190 330370308 /nfs/dbraw/zinc/37/03/08/330370308.db2.gz VVILYDSBJQOYDJ-HUUCEWRRSA-N 0 0 279.424 3.517 10 0 CHAERN CC(C)(C)OC(=O)NCCCCC(=O)c1cccc(F)c1 ZINC000405636675 330382027 /nfs/dbraw/zinc/38/20/27/330382027.db2.gz LOZOBNJXEDLXHO-UHFFFAOYSA-N 0 0 295.354 3.703 10 0 CHAERN CCS(=O)(CC)=Nc1ccccc1Br ZINC000536949852 330382160 /nfs/dbraw/zinc/38/21/60/330382160.db2.gz BZXBZDNBWBYZNM-UHFFFAOYSA-N 0 0 276.199 3.588 10 0 CHAERN COc1cccc(-c2cc(C(F)(F)F)c(Cl)nn2)c1 ZINC000536958574 330383815 /nfs/dbraw/zinc/38/38/15/330383815.db2.gz GZROHAJWDGBEJX-UHFFFAOYSA-N 0 0 288.656 3.824 10 0 CHAERN CC(C)[C@@H](C)NC(=O)c1cc2c(cccc2OC(F)F)[nH]1 ZINC000120740204 330390863 /nfs/dbraw/zinc/39/08/63/330390863.db2.gz GIEQOBLOACAZCQ-SECBINFHSA-N 0 0 296.317 3.544 10 0 CHAERN C[C@H]1CCC[C@H](CSCc2nnc(C3CC3)n2C)C1 ZINC000091037392 330397931 /nfs/dbraw/zinc/39/79/31/330397931.db2.gz SYUJRRWRLHTDDL-RYUDHWBXSA-N 0 0 279.453 3.752 10 0 CHAERN CCn1c(C)nnc1CS[C@H](C)c1cccc(C)c1 ZINC000091030401 330397947 /nfs/dbraw/zinc/39/79/47/330397947.db2.gz NVQDUSZEUMUGFC-GFCCVEGCSA-N 0 0 275.421 3.909 10 0 CHAERN CCn1c(C)nnc1CSC[C@H]1CCC[C@H](C)C1 ZINC000091037412 330397996 /nfs/dbraw/zinc/39/79/96/330397996.db2.gz KSASGVPSQGFYHA-AAEUAGOBSA-N 0 0 267.442 3.666 10 0 CHAERN COCCn1cc(N[C@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000152257139 330631022 /nfs/dbraw/zinc/63/10/22/330631022.db2.gz LPGNXLOLCIPEKM-GUYCJALGSA-N 0 0 285.391 3.580 10 0 CHAERN CC[C@H](Nc1nc(OC)ncc1Cl)c1ccccc1 ZINC000157793460 330805212 /nfs/dbraw/zinc/80/52/12/330805212.db2.gz FMECJKZEZZGMAF-LBPRGKRZSA-N 0 0 277.755 3.702 10 0 CHAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)c(Br)c1 ZINC000162113927 330884573 /nfs/dbraw/zinc/88/45/73/330884573.db2.gz AUEHNTGWEXTBCT-SNVBAGLBSA-N 0 0 284.197 3.532 10 0 CHAERN C[C@H](NC(=O)N(C)C1CCCC1)c1cccc(Cl)c1 ZINC000172300442 335099926 /nfs/dbraw/zinc/09/99/26/335099926.db2.gz ZXDXDBPGLTXRMA-NSHDSACASA-N 0 0 280.799 3.985 10 0 CHAERN C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248184090 334296670 /nfs/dbraw/zinc/29/66/70/334296670.db2.gz WYRSAAAFOSVQAF-XNJGSVPQSA-N 0 0 295.373 3.653 10 0 CHAERN C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248184087 334296791 /nfs/dbraw/zinc/29/67/91/334296791.db2.gz WYRSAAAFOSVQAF-IGCXYCKISA-N 0 0 295.373 3.653 10 0 CHAERN O=C(Nc1cnc(Cl)c(F)c1)OCc1ccccc1 ZINC000498050503 332663403 /nfs/dbraw/zinc/66/34/03/332663403.db2.gz HCSUEMZPUOHTLP-UHFFFAOYSA-N 0 0 280.686 3.623 10 0 CHAERN O=C(NCCC1=CCCCC1)N[C@H]1CCc2ccccc21 ZINC000505984464 332758765 /nfs/dbraw/zinc/75/87/65/332758765.db2.gz NJJPRYOZZULYOI-KRWDZBQOSA-N 0 0 284.403 3.864 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)C(C)C)o1 ZINC000173328842 332969330 /nfs/dbraw/zinc/96/93/30/332969330.db2.gz SLXDEKCPSXQKRE-KBPBESRZSA-N 0 0 278.396 3.869 10 0 CHAERN C[C@@H](NC(=O)NCC(F)F)c1ccc(C(C)(C)C)cc1 ZINC000174128837 332992228 /nfs/dbraw/zinc/99/22/28/332992228.db2.gz DYISTONFQSTWDS-SNVBAGLBSA-N 0 0 284.350 3.609 10 0 CHAERN CC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000306900009 333010865 /nfs/dbraw/zinc/01/08/65/333010865.db2.gz FBEGFXHKBJZVJX-UHFFFAOYSA-N 0 0 292.360 3.846 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1C[C@H]1C ZINC000174931652 333011103 /nfs/dbraw/zinc/01/11/03/333011103.db2.gz REGOORKIPBQXPR-SCZZXKLOSA-N 0 0 272.270 3.544 10 0 CHAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000175163346 333016143 /nfs/dbraw/zinc/01/61/43/333016143.db2.gz SGNZCHCMLXSESU-RWMBFGLXSA-N 0 0 254.418 3.640 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000175986740 333038368 /nfs/dbraw/zinc/03/83/68/333038368.db2.gz GDKUJFBYPJNPIH-LBPRGKRZSA-N 0 0 273.332 3.846 10 0 CHAERN CC(C)(C)CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000177927058 333065738 /nfs/dbraw/zinc/06/57/38/333065738.db2.gz HDDZYQLEGXEMBV-ZDUSSCGKSA-N 0 0 290.407 3.634 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)CCc2ccco2)c2ccccc21 ZINC000179079291 333079460 /nfs/dbraw/zinc/07/94/60/333079460.db2.gz JGTVVZOLCWVMTE-GUYCJALGSA-N 0 0 283.371 3.967 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CC=CCC2)cc1F ZINC000088234273 333087341 /nfs/dbraw/zinc/08/73/41/333087341.db2.gz VBZORSDFUJJLAO-STQMWFEESA-N 0 0 261.340 3.668 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NC(C2CC2)C2CC2)cc1F ZINC000152556396 333125799 /nfs/dbraw/zinc/12/57/99/333125799.db2.gz TYCRPLVQIIVBOK-NSHDSACASA-N 0 0 290.382 3.683 10 0 CHAERN CCn1ccnc1CNc1c(C)cccc1SC ZINC000185439903 333140811 /nfs/dbraw/zinc/14/08/11/333140811.db2.gz RTZOLAQVIUDBAW-UHFFFAOYSA-N 0 0 261.394 3.545 10 0 CHAERN COC1(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CCCCC1 ZINC000185677933 333146443 /nfs/dbraw/zinc/14/64/43/333146443.db2.gz VJVXGVINMAAVEF-ZDUSSCGKSA-N 0 0 293.382 3.661 10 0 CHAERN CCC1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000185750090 333148150 /nfs/dbraw/zinc/14/81/50/333148150.db2.gz TURFEVXGPJRAIF-LSDHHAIUSA-N 0 0 279.424 3.517 10 0 CHAERN CCC1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000185750129 333148186 /nfs/dbraw/zinc/14/81/86/333148186.db2.gz TURFEVXGPJRAIF-HUUCEWRRSA-N 0 0 279.424 3.517 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cccc(C)c2F)C12CCOCC2 ZINC000186472315 333161619 /nfs/dbraw/zinc/16/16/19/333161619.db2.gz IDTZXHNDIVSFTR-GJZGRUSLSA-N 0 0 293.382 3.520 10 0 CHAERN Cc1cnc([C@H](C)N[C@H]2CCCc3ccccc32)o1 ZINC000220882104 333170098 /nfs/dbraw/zinc/17/00/98/333170098.db2.gz CMSDHVOEGNBLHL-WFASDCNBSA-N 0 0 256.349 3.711 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(OC(C)C)cc2)o1 ZINC000220903160 333170573 /nfs/dbraw/zinc/17/05/73/333170573.db2.gz YPVNYXNPSBHGLS-ZDUSSCGKSA-N 0 0 274.364 3.621 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189235086 333187176 /nfs/dbraw/zinc/18/71/76/333187176.db2.gz OYCYYXHCPKBSLV-MFKMUULPSA-N 0 0 299.336 3.799 10 0 CHAERN CSC1(C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000189911138 333200328 /nfs/dbraw/zinc/20/03/28/333200328.db2.gz FNSAYBFJONELBI-GFCCVEGCSA-N 0 0 285.412 3.913 10 0 CHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190366628 333206083 /nfs/dbraw/zinc/20/60/83/333206083.db2.gz MGYRAUATTXCYOO-QWRGUYRKSA-N 0 0 294.361 3.651 10 0 CHAERN CC[C@H](C)CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191704645 333223940 /nfs/dbraw/zinc/22/39/40/333223940.db2.gz HSYOXCSXIOVJDF-DCAQKATOSA-N 0 0 265.319 3.660 10 0 CHAERN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000191910242 333227308 /nfs/dbraw/zinc/22/73/08/333227308.db2.gz RKTRDLZXVNLZEQ-BFHYXJOUSA-N 0 0 292.423 3.594 10 0 CHAERN CCN(CC)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000193162152 333243640 /nfs/dbraw/zinc/24/36/40/333243640.db2.gz RIYVRWCKYIIXPJ-CYBMUJFWSA-N 0 0 262.397 3.922 10 0 CHAERN COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1O ZINC000195222195 333248297 /nfs/dbraw/zinc/24/82/97/333248297.db2.gz HAAPMOUECLRDNP-UONOGXRCSA-N 0 0 289.375 3.556 10 0 CHAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc3c2CCCN3)[C@@H](C)C1 ZINC000226203833 333253865 /nfs/dbraw/zinc/25/38/65/333253865.db2.gz RBMJYODYQKGMCS-DVOMOZLQSA-N 0 0 286.419 3.599 10 0 CHAERN CC(C)OCc1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000194390673 333270335 /nfs/dbraw/zinc/27/03/35/333270335.db2.gz QKCQOAGYAIUUTB-CYBMUJFWSA-N 0 0 278.396 3.778 10 0 CHAERN COc1cccc([C@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000194393404 333270656 /nfs/dbraw/zinc/27/06/56/333270656.db2.gz UONMFHGBHYXHEY-STQMWFEESA-N 0 0 287.359 3.578 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)Cc2ccc(O)cc2)cc1 ZINC000194591021 333273036 /nfs/dbraw/zinc/27/30/36/333273036.db2.gz MPDNZOYLDBMMQU-CQSZACIVSA-N 0 0 297.398 3.936 10 0 CHAERN CC1(C)[C@H](Nc2ccccc2OC(F)F)[C@@H]2CCO[C@H]21 ZINC000227062299 333275316 /nfs/dbraw/zinc/27/53/16/333275316.db2.gz HPPLXMLIRAASPY-ZWKOPEQDSA-N 0 0 283.318 3.513 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000227102702 333276147 /nfs/dbraw/zinc/27/61/47/333276147.db2.gz CGWKJPUAYCPCKY-LDYMZIIASA-N 0 0 289.272 3.763 10 0 CHAERN CCCC[C@@H](N[C@@H](C)c1ccc(C)c(F)c1)C(=O)OC ZINC000230499994 333318690 /nfs/dbraw/zinc/31/86/90/333318690.db2.gz MZMKFWKUSBFHAZ-SWLSCSKDSA-N 0 0 281.371 3.517 10 0 CHAERN Cc1cnc([C@H](C)NCc2nc(C(C)(C)C)cs2)o1 ZINC000230642177 333319214 /nfs/dbraw/zinc/31/92/14/333319214.db2.gz FSRLXPRZUNAMHZ-JTQLQIEISA-N 0 0 279.409 3.588 10 0 CHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(Br)c1C ZINC000231691647 333328177 /nfs/dbraw/zinc/32/81/77/333328177.db2.gz XWEOZEFSGNJLNP-GWCFXTLKSA-N 0 0 296.208 3.676 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cc(Br)ccc1C ZINC000231692044 333328461 /nfs/dbraw/zinc/32/84/61/333328461.db2.gz SNJMJNIWRXYBBT-ZWNOBZJWSA-N 0 0 296.208 3.676 10 0 CHAERN CC(C)C[C@H](C)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000036993299 333452623 /nfs/dbraw/zinc/45/26/23/333452623.db2.gz FZVAYVWGSKPCPD-VIFPVBQESA-N 0 0 282.771 3.517 10 0 CHAERN Cc1nc([C@@H](C)NCc2ccsc2C)cs1 ZINC000339249817 335142776 /nfs/dbraw/zinc/14/27/76/335142776.db2.gz ZVAZCBXEXWNIGU-MRVPVSSYSA-N 0 0 252.408 3.672 10 0 CHAERN CCCC1(CNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000125122425 333563881 /nfs/dbraw/zinc/56/38/81/333563881.db2.gz RFCOLYWVGVRGIG-CYBMUJFWSA-N 0 0 276.380 3.706 10 0 CHAERN CC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000126677378 333602398 /nfs/dbraw/zinc/60/23/98/333602398.db2.gz NKUVBDWKJJVJMM-APHBMKBZSA-N 0 0 259.393 3.828 10 0 CHAERN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(C)o1)C(C)C ZINC000128868216 333722348 /nfs/dbraw/zinc/72/23/48/333722348.db2.gz UVSSQGKIFFWZPS-QWHCGFSZSA-N 0 0 251.370 3.838 10 0 CHAERN Cc1ccncc1N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000071413387 333860308 /nfs/dbraw/zinc/86/03/08/333860308.db2.gz XGVHJMCXQYGCDP-ZDUSSCGKSA-N 0 0 284.359 3.552 10 0 CHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N2CCCC2)cc1 ZINC000133381139 334039666 /nfs/dbraw/zinc/03/96/66/334039666.db2.gz WLRULVDCKVOWHY-CQSZACIVSA-N 0 0 290.407 3.588 10 0 CHAERN CC1(C)Cc2cccc(CN[C@H]3COc4ccccc43)c2O1 ZINC000134269846 334086258 /nfs/dbraw/zinc/08/62/58/334086258.db2.gz GNIGTMGRVGISQD-INIZCTEOSA-N 0 0 295.382 3.623 10 0 CHAERN COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1F ZINC000134571871 334095458 /nfs/dbraw/zinc/09/54/58/334095458.db2.gz UOPLDIXIWTXZNP-HNNXBMFYSA-N 0 0 299.345 3.642 10 0 CHAERN CC(C)Sc1ccccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000135416834 334129077 /nfs/dbraw/zinc/12/90/77/334129077.db2.gz FFZNWRUZTSGMRF-JQWIXIFHSA-N 0 0 264.394 3.717 10 0 CHAERN CC[C@@H]1CC[C@H](Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000080428867 334171178 /nfs/dbraw/zinc/17/11/78/334171178.db2.gz HYMVFNWPOSZZKN-QAPCUYQASA-N 0 0 288.435 3.509 10 0 CHAERN CC[C@H]1CC[C@H](Nc2ccc(NC(C)=O)c(OC)c2)C1 ZINC000080429998 334171475 /nfs/dbraw/zinc/17/14/75/334171475.db2.gz FYBIFUOXDHMKBI-STQMWFEESA-N 0 0 276.380 3.644 10 0 CHAERN CC[C@H]1CC[C@@H](Nc2ccc(C)c(NC(C)=O)c2)C1 ZINC000080454866 334171599 /nfs/dbraw/zinc/17/15/99/334171599.db2.gz HRLPEOYNKQRYKD-UONOGXRCSA-N 0 0 260.381 3.944 10 0 CHAERN COC[C@H](C)C(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245414957 334191143 /nfs/dbraw/zinc/19/11/43/334191143.db2.gz FEVFPIJPWDDMSZ-RWMBFGLXSA-N 0 0 297.826 3.573 10 0 CHAERN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)N[C@H]1C[C@H]1C ZINC000245428501 334192182 /nfs/dbraw/zinc/19/21/82/334192182.db2.gz XICQJKAGLUSVCT-YXMPFFBPSA-N 0 0 294.826 3.882 10 0 CHAERN CSC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246965384 334272829 /nfs/dbraw/zinc/27/28/29/334272829.db2.gz NGMJYKWMXWUFSZ-SOUVJXGZSA-N 0 0 281.465 3.557 10 0 CHAERN C[C@@H](CCC(=O)N[C@H]1COc2ccccc21)c1ccccc1 ZINC000138452797 334214907 /nfs/dbraw/zinc/21/49/07/334214907.db2.gz SOIBALZMYAXKHU-YOEHRIQHSA-N 0 0 295.382 3.820 10 0 CHAERN CC(C)[C@H](CC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000246012714 334227887 /nfs/dbraw/zinc/22/78/87/334227887.db2.gz KUMIBUJFUIJDHS-BHYGNILZSA-N 0 0 289.419 3.500 10 0 CHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1 ZINC000246613128 334265307 /nfs/dbraw/zinc/26/53/07/334265307.db2.gz XDNCUSIEKQOSBF-HERUPUMHSA-N 0 0 263.768 3.563 10 0 CHAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000246886450 334271376 /nfs/dbraw/zinc/27/13/76/334271376.db2.gz JEHCENJIOUAOSZ-BFYDXBDKSA-N 0 0 289.419 3.534 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCCC[C@H]2CCCCO2)CC(C)(C)C1 ZINC000248865026 334319849 /nfs/dbraw/zinc/31/98/49/334319849.db2.gz HNESOMIPXKYGEA-BZUAXINKSA-N 0 0 295.467 3.914 10 0 CHAERN C[C@H](C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000249354859 334332422 /nfs/dbraw/zinc/33/24/22/334332422.db2.gz QWNFCPYTVPBXIJ-OTRWWLKZSA-N 0 0 271.404 3.827 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000152859686 334519848 /nfs/dbraw/zinc/51/98/48/334519848.db2.gz UGFKGTJICPKHBF-NWDGAFQWSA-N 0 0 283.412 3.715 10 0 CHAERN CSCCCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000157074508 334758411 /nfs/dbraw/zinc/75/84/11/334758411.db2.gz YSQNMBXWVKJJEU-SWLSCSKDSA-N 0 0 292.448 3.677 10 0 CHAERN C[C@@H](NC(=O)N(C1CC1)C1CCCC1)C(C)(C)C ZINC000175504413 335187079 /nfs/dbraw/zinc/18/70/79/335187079.db2.gz LWJFNFAWDYGNPN-LLVKDONJSA-N 0 0 252.402 3.538 10 0 CHAERN C[C@H]1CC[C@@H](NC(=O)NCc2ccccn2)c2ccccc21 ZINC000178938162 335462627 /nfs/dbraw/zinc/46/26/27/335462627.db2.gz HEQQHHDCUNPWFC-SUMWQHHRSA-N 0 0 295.386 3.519 10 0 CHAERN Cc1cc(Cl)ccc1NCc1nnc(C(C)C)n1C ZINC000194985561 336042075 /nfs/dbraw/zinc/04/20/75/336042075.db2.gz MWGYVLHNHNKFDH-UHFFFAOYSA-N 0 0 278.787 3.512 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 ZINC000384528368 336124984 /nfs/dbraw/zinc/12/49/84/336124984.db2.gz CFSVMTGBIXUJRJ-LNLATYFQSA-N 0 0 259.271 3.683 10 0 CHAERN CCCC1CCN(CC(=O)c2cccc(F)c2)CC1 ZINC000050894152 519900830 /nfs/dbraw/zinc/90/08/30/519900830.db2.gz AYRDVDJJZABIAD-UHFFFAOYSA-N 0 0 263.356 3.521 10 0 CHAERN CC1(C)C(=O)C[C@@H]1c1ccc(Br)cc1 ZINC000088177525 520239816 /nfs/dbraw/zinc/23/98/16/520239816.db2.gz LNWBORBIJZQKRJ-SNVBAGLBSA-N 0 0 253.139 3.532 10 0 CHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC(c3nccs3)CC2)C1 ZINC000336501132 533815427 /nfs/dbraw/zinc/81/54/27/533815427.db2.gz IXDXYJBWFBHBJA-OCCSQVGLSA-N 0 0 292.448 3.675 10 0 CHAERN CNc1cc(COc2cc(C)c(Cl)c(C)c2)ccn1 ZINC000052755413 522566575 /nfs/dbraw/zinc/56/65/75/522566575.db2.gz RRFIVNQIWSOJFJ-UHFFFAOYSA-N 0 0 276.767 3.973 10 0 CHAERN CC(=O)c1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000058826105 518344995 /nfs/dbraw/zinc/34/49/95/518344995.db2.gz KFLJMVWKHNHQRW-SNVBAGLBSA-N 0 0 251.757 3.779 10 0 CHAERN CC(=O)c1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]32)cc1 ZINC000111250275 518369605 /nfs/dbraw/zinc/36/96/05/518369605.db2.gz OCYGQRBRUJVNIK-GDBMZVCRSA-N 0 0 286.375 3.686 10 0 CHAERN C/C=C(/CC)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000188271286 518479615 /nfs/dbraw/zinc/47/96/15/518479615.db2.gz NFMGERZWXHAWSN-RYHWZFLVSA-N 0 0 285.309 3.633 10 0 CHAERN CC(=O)c1sc(N(C)Cc2cccc(Cl)c2)nc1C ZINC000054862860 518497105 /nfs/dbraw/zinc/49/71/05/518497105.db2.gz DRTQLKLJANKQAL-UHFFFAOYSA-N 0 0 294.807 3.944 10 0 CHAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)c1cncc(F)c1 ZINC000049576925 518935680 /nfs/dbraw/zinc/93/56/80/518935680.db2.gz AKUYZRVPDRKIAB-DZGCQCFKSA-N 0 0 251.345 3.645 10 0 CHAERN CC(C)(C)c1nc(N2CCCCCCC2)sc1CO ZINC000055002985 519103000 /nfs/dbraw/zinc/10/30/00/519103000.db2.gz CGQLQXKVVZKZMN-UHFFFAOYSA-N 0 0 282.453 3.703 10 0 CHAERN CC(C)C[C@H](C)N(C)c1ccc(Cl)cc1C(N)=S ZINC000052858901 519312213 /nfs/dbraw/zinc/31/22/13/519312213.db2.gz QTDJMVQZRGKLER-JTQLQIEISA-N 0 0 284.856 3.845 10 0 CHAERN CC(C)N(CC1CC1)c1ccc(Cl)cc1C(N)=S ZINC000052858907 519640749 /nfs/dbraw/zinc/64/07/49/519640749.db2.gz LOUWRSAPOJXPHK-UHFFFAOYSA-N 0 0 282.840 3.599 10 0 CHAERN Fc1cc(F)c2nccc(N3C[C@@H]4CCC[C@H]4C3)c2c1 ZINC000302404464 534446971 /nfs/dbraw/zinc/44/69/71/534446971.db2.gz GJHUSWDZNJUAND-QWRGUYRKSA-N 0 0 274.314 3.749 10 0 CHAERN Fc1cc(F)c2nccc(NC[C@H]3CCCS3)c2c1 ZINC000302409848 534447490 /nfs/dbraw/zinc/44/74/90/534447490.db2.gz HHGZSKAZKZESTO-SNVBAGLBSA-N 0 0 280.343 3.821 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)NCc2cccnc2)cc1 ZINC000053248524 519839987 /nfs/dbraw/zinc/83/99/87/519839987.db2.gz SXWLACHKPKOICH-AWEZNQCLSA-N 0 0 297.402 3.765 10 0 CHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)C2CC2)cc1 ZINC000130305873 519840362 /nfs/dbraw/zinc/84/03/62/519840362.db2.gz YLPNGEZWOMPEES-HZPDHXFCSA-N 0 0 257.377 3.534 10 0 CHAERN CCC1CCC(NC(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000078310066 519855609 /nfs/dbraw/zinc/85/56/09/519855609.db2.gz OKGNAOGMDWZFPH-HIFPTAJRSA-N 0 0 295.452 3.781 10 0 CHAERN CC(C)c1[nH]nc(N)c1-c1ccc(F)cc1Cl ZINC000062609516 519857805 /nfs/dbraw/zinc/85/78/05/519857805.db2.gz FIIFYUSZEZJKBP-UHFFFAOYSA-N 0 0 253.708 3.575 10 0 CHAERN CC(C)c1n[nH]c(=S)n1[C@H](C)c1ccc(F)cc1 ZINC000049509923 519857935 /nfs/dbraw/zinc/85/79/35/519857935.db2.gz PXVOXCCAGHXUHN-SECBINFHSA-N 0 0 265.357 3.812 10 0 CHAERN CC(C)c1nc2cc(N)ccc2n1-c1ccccc1F ZINC000052842307 519869525 /nfs/dbraw/zinc/86/95/25/519869525.db2.gz GJNXLYYPUVDPPD-UHFFFAOYSA-N 0 0 269.323 3.870 10 0 CHAERN CCN(C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000056942652 519985395 /nfs/dbraw/zinc/98/53/95/519985395.db2.gz QBYMRPJMTOSHGO-SECBINFHSA-N 0 0 284.762 3.734 10 0 CHAERN CC(C)n1ccnc1CN1c2ccccc2SC[C@@H]1C ZINC000150815477 520029942 /nfs/dbraw/zinc/02/99/42/520029942.db2.gz PUFZFUXUTBRKOX-ZDUSSCGKSA-N 0 0 287.432 3.965 10 0 CHAERN CC1(C)C(=O)C[C@H]1c1ccc(Br)cc1 ZINC000088177524 520239568 /nfs/dbraw/zinc/23/95/68/520239568.db2.gz LNWBORBIJZQKRJ-JTQLQIEISA-N 0 0 253.139 3.532 10 0 CHAERN CCNc1ccccc1C(=O)Nc1ccccc1C ZINC000050744720 520339084 /nfs/dbraw/zinc/33/90/84/520339084.db2.gz DDKTXTAJVOQQCR-UHFFFAOYSA-N 0 0 254.333 3.679 10 0 CHAERN CCNc1nc(-c2cc(C)sc2C)nc(C)c1C ZINC000050866055 520350091 /nfs/dbraw/zinc/35/00/91/520350091.db2.gz MDOCVQCXGNOYDP-UHFFFAOYSA-N 0 0 261.394 3.871 10 0 CHAERN CCNc1nc2ccccc2cc1COCC1CC1 ZINC000050832597 520360571 /nfs/dbraw/zinc/36/05/71/520360571.db2.gz BTKVCWGEHIZFSW-UHFFFAOYSA-N 0 0 256.349 3.593 10 0 CHAERN CCNc1ncccc1CSc1ccc(OC)cc1 ZINC000052756050 520377436 /nfs/dbraw/zinc/37/74/36/520377436.db2.gz ZIOQTIAFOSCSAX-UHFFFAOYSA-N 0 0 274.389 3.814 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2ccccc2COC)C12CCC2 ZINC000087709531 520438289 /nfs/dbraw/zinc/43/82/89/520438289.db2.gz FUADHFOIVGICEJ-JKSUJKDBSA-N 0 0 275.392 3.593 10 0 CHAERN CCCOc1cccc([C@@H](O)c2ccc(C)cc2)c1 ZINC000061668161 520464941 /nfs/dbraw/zinc/46/49/41/520464941.db2.gz KPQMBVKZKIFAOJ-KRWDZBQOSA-N 0 0 256.345 3.866 10 0 CHAERN CCCCN(c1cc(Cl)ccc1C(N)=S)C1CC1 ZINC000062788211 520552234 /nfs/dbraw/zinc/55/22/34/520552234.db2.gz RGSJOAKCOXUKPX-UHFFFAOYSA-N 0 0 282.840 3.743 10 0 CHAERN CCCCN(c1nc2c(s1)[C@@H](O)CCC2)[C@@H](C)CC ZINC000054928419 520553564 /nfs/dbraw/zinc/55/35/64/520553564.db2.gz UHHDUBPSYXRFPJ-AAEUAGOBSA-N 0 0 282.453 3.918 10 0 CHAERN CCC[C@@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)C(C)C ZINC000122013492 520578280 /nfs/dbraw/zinc/57/82/80/520578280.db2.gz HPTDSEJTDOZNHZ-HUUCEWRRSA-N 0 0 277.412 3.536 10 0 CHAERN CC1(C)Cc2cc(-c3ccc(C=O)cc3)ccc2O1 ZINC000051755567 520578947 /nfs/dbraw/zinc/57/89/47/520578947.db2.gz AOXDBHIRWAQJGQ-UHFFFAOYSA-N 0 0 252.313 3.880 10 0 CHAERN CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C(CC)CC)C1 ZINC000062752179 520828596 /nfs/dbraw/zinc/82/85/96/520828596.db2.gz LRUDUZSCWJVWIF-BPLDGKMQSA-N 0 0 269.429 3.776 10 0 CHAERN Fc1cccc(Cl)c1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202227 534522772 /nfs/dbraw/zinc/52/27/72/534522772.db2.gz JYHOJUWVAZAMLP-OAHLLOKOSA-N 0 0 293.773 3.929 10 0 CHAERN CCC[C@@](C)([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000049527873 520926991 /nfs/dbraw/zinc/92/69/91/520926991.db2.gz YUNMGQMNZHITFO-IINYFYTJSA-N 0 0 269.772 3.634 10 0 CHAERN CC1CCC(O)(Cc2c(F)cccc2Cl)CC1 ZINC000049346181 520957583 /nfs/dbraw/zinc/95/75/83/520957583.db2.gz YPTWRUFXICPJHW-UHFFFAOYSA-N 0 0 256.748 3.963 10 0 CHAERN CCCC[C@@H](CC)C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925791 521027562 /nfs/dbraw/zinc/02/75/62/521027562.db2.gz RJDBXIMCGGJRJC-HUUCEWRRSA-N 0 0 269.429 3.922 10 0 CHAERN CCOc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1Cl ZINC000087408990 521136662 /nfs/dbraw/zinc/13/66/62/521136662.db2.gz NPDZAWXBFUXVNG-JTQLQIEISA-N 0 0 293.798 3.954 10 0 CHAERN CCOc1ccc([C@@](C)(O)[C@H](C)CC)cc1OCC ZINC000055192777 521249726 /nfs/dbraw/zinc/24/97/26/521249726.db2.gz ANZQCBZHYACKRW-WBMJQRKESA-N 0 0 266.381 3.738 10 0 CHAERN CCC[C@](C)(CO)CN1CCCc2cc(C)ccc21 ZINC000051292282 521268428 /nfs/dbraw/zinc/26/84/28/521268428.db2.gz JCNIHXHWFNMZIE-KRWDZBQOSA-N 0 0 261.409 3.546 10 0 CHAERN CCOc1cccc(-c2nc(Cl)cc(Cl)n2)c1 ZINC000058049012 521312392 /nfs/dbraw/zinc/31/23/92/521312392.db2.gz BFEYLIHERMRYAV-UHFFFAOYSA-N 0 0 269.131 3.849 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@@H](C)c1cc(C)oc1C ZINC000121122851 521377546 /nfs/dbraw/zinc/37/75/46/521377546.db2.gz ASYVSKBQPJKSTQ-NSHDSACASA-N 0 0 266.385 3.835 10 0 CHAERN CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000084201815 521392856 /nfs/dbraw/zinc/39/28/56/521392856.db2.gz PMIKSCOQIQESKW-IRXDYDNUSA-N 0 0 286.419 3.647 10 0 CHAERN CCN(c1nc(C)c([C@H](C)O)s1)c1ccc(C)cc1 ZINC000054927830 521505855 /nfs/dbraw/zinc/50/58/55/521505855.db2.gz JAXLOYQDNBYLTG-LBPRGKRZSA-N 0 0 276.405 3.971 10 0 CHAERN CCCc1nc2ccccc2n1C(F)(F)C(F)F ZINC000057354513 521544665 /nfs/dbraw/zinc/54/46/65/521544665.db2.gz CTLRUDYOLCTOAP-UHFFFAOYSA-N 0 0 260.234 3.803 10 0 CHAERN CCC(CC)N(C)c1ccc(Cl)cc1C(N)=S ZINC000052858355 521545452 /nfs/dbraw/zinc/54/54/52/521545452.db2.gz IPOMKYUKXGINQS-UHFFFAOYSA-N 0 0 270.829 3.599 10 0 CHAERN CCOc1ccccc1[C@@](C)(O)c1ccccc1Cl ZINC000055239801 521580910 /nfs/dbraw/zinc/58/09/10/521580910.db2.gz OKSUUNMZPBPCJA-INIZCTEOSA-N 0 0 276.763 3.995 10 0 CHAERN CCc1ccccc1-c1nc2c(c(Cl)n1)CCC2 ZINC000052201199 521801221 /nfs/dbraw/zinc/80/12/21/521801221.db2.gz SAAUOUNCDGPSFV-UHFFFAOYSA-N 0 0 258.752 3.848 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(C)cc2)c1 ZINC000037086635 521804126 /nfs/dbraw/zinc/80/41/26/521804126.db2.gz BNTHFRGIEYKZTE-AWEZNQCLSA-N 0 0 282.387 3.836 10 0 CHAERN CCc1ccccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000153525942 521813856 /nfs/dbraw/zinc/81/38/56/521813856.db2.gz KXTZBXZCKSESAU-UHFFFAOYSA-N 0 0 293.326 3.551 10 0 CHAERN CN(C)c1ccc(Cl)cc1N[C@@H]1CCCSC1 ZINC000061587793 522217594 /nfs/dbraw/zinc/21/75/94/522217594.db2.gz COBDFWUGSSSZIL-LLVKDONJSA-N 0 0 270.829 3.714 10 0 CHAERN CC[C@@H](C)OCc1nc2sc(C)c(C)c2c(NC)n1 ZINC000050833223 522254107 /nfs/dbraw/zinc/25/41/07/522254107.db2.gz KAUXUNGGJDDJFM-MRVPVSSYSA-N 0 0 279.409 3.665 10 0 CHAERN CC[C@@H](C)c1ccc2nc(C(F)F)cc(NN)c2c1 ZINC000061629900 522431287 /nfs/dbraw/zinc/43/12/87/522431287.db2.gz SCAUCIPTZBTODG-MRVPVSSYSA-N 0 0 265.307 3.972 10 0 CHAERN CCc1nc2cc(N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc2o1 ZINC000085635979 522494621 /nfs/dbraw/zinc/49/46/21/522494621.db2.gz RGLDTSHBOFFYHX-XZJROXQQSA-N 0 0 286.375 3.616 10 0 CHAERN COc1cc(Cl)c2c(c1)[C@@H](O)CC(C)(C)CC2 ZINC000061826058 522531249 /nfs/dbraw/zinc/53/12/49/522531249.db2.gz KKPKKGMBKGOOGV-ZDUSSCGKSA-N 0 0 254.757 3.745 10 0 CHAERN CCc1ncc(CNc2cc(F)cc(F)c2F)s1 ZINC000061098349 522556403 /nfs/dbraw/zinc/55/64/03/522556403.db2.gz IADKWLOOPCUQPG-UHFFFAOYSA-N 0 0 272.295 3.735 10 0 CHAERN CNc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000050742594 522596579 /nfs/dbraw/zinc/59/65/79/522596579.db2.gz PUWBJWZZVFOMGR-UHFFFAOYSA-N 0 0 254.333 3.597 10 0 CHAERN CNc1ncccc1COc1c(C)cc(C)cc1C ZINC000052755643 522710385 /nfs/dbraw/zinc/71/03/85/522710385.db2.gz RBZJQGORKRSIBU-UHFFFAOYSA-N 0 0 256.349 3.628 10 0 CHAERN CN(CCCCc1cccc(N)c1)c1ccccc1 ZINC000049845056 522739104 /nfs/dbraw/zinc/73/91/04/522739104.db2.gz GCCNYINJEATJTO-UHFFFAOYSA-N 0 0 254.377 3.728 10 0 CHAERN CC[C@@H](NC(=O)c1cc(Cl)ncc1Cl)C(C)C ZINC000129229155 522776974 /nfs/dbraw/zinc/77/69/74/522776974.db2.gz BSLKGUYQGANNHR-SNVBAGLBSA-N 0 0 275.179 3.553 10 0 CHAERN CN(Cc1ccccc1Cl)Cc1nc(N)ccc1Cl ZINC000061639019 523364259 /nfs/dbraw/zinc/36/42/59/523364259.db2.gz WMOHKUQLRRYZHX-UHFFFAOYSA-N 0 0 296.201 3.603 10 0 CHAERN COc1ccc(Br)cc1C[C@@H](O)C1CCCC1 ZINC000049598670 523503318 /nfs/dbraw/zinc/50/33/18/523503318.db2.gz AWMTUXTWVZEUCR-CYBMUJFWSA-N 0 0 299.208 3.551 10 0 CHAERN CC[C@@H]1C[C@@H]1Nc1ccnc2cc(Br)cnc21 ZINC000226999670 523547954 /nfs/dbraw/zinc/54/79/54/523547954.db2.gz MXTBPCADJUFPLU-KCJUWKMLSA-N 0 0 292.180 3.603 10 0 CHAERN CN(c1nc2ccccc2s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156734596 523667502 /nfs/dbraw/zinc/66/75/02/523667502.db2.gz REJDNDYHHWRAMK-GDLCADMTSA-N 0 0 288.416 3.546 10 0 CHAERN CCc1c(C)nc(-c2ccc(F)c(C)c2)nc1NC ZINC000050849257 523708827 /nfs/dbraw/zinc/70/88/27/523708827.db2.gz XUPWSAUJVFRAKG-UHFFFAOYSA-N 0 0 259.328 3.504 10 0 CHAERN CCc1c(C)nc2c(OC)cc(F)cc2c1Cl ZINC000049570214 523712372 /nfs/dbraw/zinc/71/23/72/523712372.db2.gz KVNPERYHFQFONE-UHFFFAOYSA-N 0 0 253.704 3.907 10 0 CHAERN CCc1cc(NC)nc(-c2cc(Br)cs2)n1 ZINC000050865035 523820267 /nfs/dbraw/zinc/82/02/67/523820267.db2.gz LTCIJFDQIRNHNH-UHFFFAOYSA-N 0 0 298.209 3.572 10 0 CHAERN CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H](C)COC ZINC000103358480 523952946 /nfs/dbraw/zinc/95/29/46/523952946.db2.gz XVKGETDWSJXBLP-JTQLQIEISA-N 0 0 283.799 3.686 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccn2C)o1 ZINC000128571436 524035376 /nfs/dbraw/zinc/03/53/76/524035376.db2.gz HMSIWLQIMXNSOJ-AWEZNQCLSA-N 0 0 286.375 3.548 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccoc2)o1 ZINC000128606432 524053804 /nfs/dbraw/zinc/05/38/04/524053804.db2.gz IXZSXXAHUXJWQV-CQSZACIVSA-N 0 0 273.332 3.802 10 0 CHAERN C[C@@H]1CCCC[C@H]1N(C)c1cccc(Cl)c1C(N)=S ZINC000052907136 524162636 /nfs/dbraw/zinc/16/26/36/524162636.db2.gz SHHRFZODFYSFLI-ZYHUDNBSSA-N 0 0 296.867 3.989 10 0 CHAERN COc1ccccc1C(=O)C(C)(C)c1ccccc1 ZINC000062772888 524334654 /nfs/dbraw/zinc/33/46/54/524334654.db2.gz SEYZIZPJEADFBW-UHFFFAOYSA-N 0 0 254.329 3.856 10 0 CHAERN Cc1ccc(CNC2=N[C@@H](c3ccccc3)CS2)s1 ZINC000063002886 524571358 /nfs/dbraw/zinc/57/13/58/524571358.db2.gz ALFMQMHZVXJCBS-CQSZACIVSA-N 0 0 288.441 3.990 10 0 CHAERN COc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)c(C)c1 ZINC000066162990 524575187 /nfs/dbraw/zinc/57/51/87/524575187.db2.gz PASQLWHDESTTNT-GFCCVEGCSA-N 0 0 288.347 3.788 10 0 CHAERN Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c1C ZINC000117560840 524652948 /nfs/dbraw/zinc/65/29/48/524652948.db2.gz LJXKCGUPRAEGHW-SUMWQHHRSA-N 0 0 281.355 3.807 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@H](C)C1CCCC1 ZINC000054079413 524672465 /nfs/dbraw/zinc/67/24/65/524672465.db2.gz BIZYDZQPWVBPEG-LLVKDONJSA-N 0 0 276.380 3.644 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@@H]1CCCC[C@@H]1C ZINC000037055264 524672604 /nfs/dbraw/zinc/67/26/04/524672604.db2.gz VPUGVWGTAFEWBI-SMDDNHRTSA-N 0 0 276.380 3.644 10 0 CHAERN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)on1 ZINC000130291335 524743330 /nfs/dbraw/zinc/74/33/30/524743330.db2.gz ZEPNHNMSHLBMEZ-IAGOWNOFSA-N 0 0 298.386 3.526 10 0 CHAERN COc1ccc(OC)c(-c2ccc(Cl)c(N)c2)c1 ZINC000061692256 524794107 /nfs/dbraw/zinc/79/41/07/524794107.db2.gz LVSIBQDWDBAHHX-UHFFFAOYSA-N 0 0 263.724 3.606 10 0 CHAERN C[C@H]1C[C@@H](Oc2nc(Cl)nc(Cl)n2)CC(C)(C)C1 ZINC000061517747 524824595 /nfs/dbraw/zinc/82/45/95/524824595.db2.gz VBTKVBFSNFHXOI-JGVFFNPUSA-N 0 0 290.194 3.772 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)CCCCc1nc2ccccc2s1 ZINC000075525818 524846157 /nfs/dbraw/zinc/84/61/57/524846157.db2.gz ZTYHODCUEFYYNI-AAEUAGOBSA-N 0 0 288.416 3.534 10 0 CHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C)O2)c1C ZINC000156276596 524849025 /nfs/dbraw/zinc/84/90/25/524849025.db2.gz MWGPTLVDOHBACC-JQFCIGGWSA-N 0 0 287.403 3.534 10 0 CHAERN Cc1ccc(N(Cc2ccccc2)C(C)C)cc1N ZINC000061700764 524900503 /nfs/dbraw/zinc/90/05/03/524900503.db2.gz SWLIAXAJFOOHQV-UHFFFAOYSA-N 0 0 254.377 3.992 10 0 CHAERN Cc1cc(Cl)nc(C2(c3ccccc3)CCC2)n1 ZINC000062780406 524916791 /nfs/dbraw/zinc/91/67/91/524916791.db2.gz MLOFRGOIKPIDIW-UHFFFAOYSA-N 0 0 258.752 3.908 10 0 CHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000125983255 524961911 /nfs/dbraw/zinc/96/19/11/524961911.db2.gz KVKHHXGMYJWSRN-JOYOIKCWSA-N 0 0 286.297 3.711 10 0 CHAERN Cc1cc(F)ccc1[C@]1(O)CCCc2ccccc21 ZINC000055190305 525010788 /nfs/dbraw/zinc/01/07/88/525010788.db2.gz CIGSRHCDNMQGGZ-QGZVFWFLSA-N 0 0 256.320 3.706 10 0 CHAERN Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1C ZINC000050438941 525033777 /nfs/dbraw/zinc/03/37/77/525033777.db2.gz HAEVJQRNWCHEJY-UHFFFAOYSA-N 0 0 274.751 3.791 10 0 CHAERN C[C@@H](NC(=O)C1=COCCC1)c1ccc2ccccc2c1 ZINC000068317133 525062821 /nfs/dbraw/zinc/06/28/21/525062821.db2.gz ZAHWRXITPOBXPP-CYBMUJFWSA-N 0 0 281.355 3.711 10 0 CHAERN C[C@@H](NC(=O)C1CC=CC1)c1ccccc1Br ZINC000077733875 525065733 /nfs/dbraw/zinc/06/57/33/525065733.db2.gz CNFMMKBTOQYMCI-SNVBAGLBSA-N 0 0 294.192 3.593 10 0 CHAERN C[C@H](NC(=O)[C@H]1CCC(=O)C[C@@H]1C)c1cccc(Cl)c1 ZINC000134362435 525172005 /nfs/dbraw/zinc/17/20/05/525172005.db2.gz BDSNEDJVSIZWSU-PGUXBMHVSA-N 0 0 293.794 3.523 10 0 CHAERN COc1ccc([C@@H](O)Cc2ccc(C)c(C)c2)cc1 ZINC000049669268 525206859 /nfs/dbraw/zinc/20/68/59/525206859.db2.gz YGFLSQWWNLMNBJ-KRWDZBQOSA-N 0 0 256.345 3.588 10 0 CHAERN COc1ccc([C@@H](O)Cc2cccc(Cl)c2)cc1C ZINC000052945478 525207648 /nfs/dbraw/zinc/20/76/48/525207648.db2.gz BYGBJUUDODDZCT-HNNXBMFYSA-N 0 0 276.763 3.933 10 0 CHAERN Cc1ccccc1N1C(=O)C(F)(F)[C@H]1c1ccccc1 ZINC000040539809 525222257 /nfs/dbraw/zinc/22/22/57/525222257.db2.gz VTSBLWSPCBPTQJ-CQSZACIVSA-N 0 0 273.282 3.718 10 0 CHAERN Cc1ccc(NCCOc2ccc(F)cc2F)cc1 ZINC000053563453 525279360 /nfs/dbraw/zinc/27/93/60/525279360.db2.gz JXRSLKTTXNPVJP-UHFFFAOYSA-N 0 0 263.287 3.764 10 0 CHAERN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ncc[nH]1 ZINC000138912262 525531194 /nfs/dbraw/zinc/53/11/94/525531194.db2.gz ZKCUXHVSWCTGET-IUCAKERBSA-N 0 0 267.735 3.614 10 0 CHAERN Cc1nnc(SCc2oc(C(C)C)nc2C)s1 ZINC000333027987 534870586 /nfs/dbraw/zinc/87/05/86/534870586.db2.gz GUVFVBNMJMPOCK-UHFFFAOYSA-N 0 0 269.395 3.559 10 0 CHAERN C[C@H](Nc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000044271400 525666778 /nfs/dbraw/zinc/66/67/78/525666778.db2.gz RWZOFXSSBMUFHX-QMMMGPOBSA-N 0 0 256.227 3.867 10 0 CHAERN C[C@H](Nc1ncnc(N)c1Cl)c1ccc(Cl)s1 ZINC000235561256 525685464 /nfs/dbraw/zinc/68/54/64/525685464.db2.gz JNVIKTSRFZWOMW-YFKPBYRVSA-N 0 0 289.191 3.600 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(F)c2C)o1 ZINC000072604691 525709923 /nfs/dbraw/zinc/70/99/23/525709923.db2.gz PYZBPNCQGFHOFF-LLVKDONJSA-N 0 0 276.311 3.918 10 0 CHAERN C[C@@H](Nc1noc(-c2ccccc2)n1)c1ccco1 ZINC000156956383 525735501 /nfs/dbraw/zinc/73/55/01/525735501.db2.gz QXHBYUSCSJZXME-SNVBAGLBSA-N 0 0 255.277 3.503 10 0 CHAERN Cc1ccc([C@@H](C)Nc2c(N)cccc2Cl)o1 ZINC000049194237 525750336 /nfs/dbraw/zinc/75/03/36/525750336.db2.gz YBHZXTLDVFHPPW-SECBINFHSA-N 0 0 250.729 3.997 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000156362234 525799767 /nfs/dbraw/zinc/79/97/67/525799767.db2.gz RVIUUVUMGYZPEY-XIRDDKMYSA-N 0 0 287.403 3.616 10 0 CHAERN Cc1ccc(-c2nc(N)cc(-c3ccccc3)n2)s1 ZINC000050866223 525816372 /nfs/dbraw/zinc/81/63/72/525816372.db2.gz ZEFXTWRFUYNRHL-UHFFFAOYSA-N 0 0 267.357 3.763 10 0 CHAERN CS[C@H](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000128796157 525867607 /nfs/dbraw/zinc/86/76/07/525867607.db2.gz ZRKLRXZVBOWSHC-YPMHNXCESA-N 0 0 293.432 3.547 10 0 CHAERN C[C@@H](O)c1ccc(N(C)[C@@H](C)c2cccs2)cc1 ZINC000049727700 525868215 /nfs/dbraw/zinc/86/82/15/525868215.db2.gz JHSIMJWXQOFOJZ-NWDGAFQWSA-N 0 0 261.390 3.999 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CSc3ccccc32)o1 ZINC000118313607 525908190 /nfs/dbraw/zinc/90/81/90/525908190.db2.gz JYDCPIZMXHEYTQ-AAEUAGOBSA-N 0 0 287.384 3.655 10 0 CHAERN Cc1ccc([C@H](O)Cc2cccc(Cl)c2)s1 ZINC000052945411 525978308 /nfs/dbraw/zinc/97/83/08/525978308.db2.gz OOGHUPGXLZPKNG-GFCCVEGCSA-N 0 0 252.766 3.986 10 0 CHAERN CSc1ccc(NCc2cc(C)n(C)c2C)cc1 ZINC000052789541 526042877 /nfs/dbraw/zinc/04/28/77/526042877.db2.gz JIKVIDPVBXWTHI-UHFFFAOYSA-N 0 0 260.406 3.976 10 0 CHAERN C[C@@H](c1cccs1)N(C)c1c(F)cc(N)cc1F ZINC000049727151 526146255 /nfs/dbraw/zinc/14/62/55/526146255.db2.gz ILYMRQSGORLAAC-QMMMGPOBSA-N 0 0 268.332 3.806 10 0 CHAERN COc1cccc(SCCc2ccccc2N)c1 ZINC000052919085 526245806 /nfs/dbraw/zinc/24/58/06/526245806.db2.gz WTTAHQCDKLGMHB-UHFFFAOYSA-N 0 0 259.374 3.612 10 0 CHAERN Cc1ccc(C(N)=S)c(N[C@@H](C)c2ccsc2)c1 ZINC000061367646 526254798 /nfs/dbraw/zinc/25/47/98/526254798.db2.gz ZQKYPAXIDMLKIL-JTQLQIEISA-N 0 0 276.430 3.864 10 0 CHAERN Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)nn1-c1ccccc1 ZINC000103366348 526263112 /nfs/dbraw/zinc/26/31/12/526263112.db2.gz ZOQXZAYPYSHQRT-KBPBESRZSA-N 0 0 297.402 3.584 10 0 CHAERN O[C@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062791908 526299654 /nfs/dbraw/zinc/29/96/54/526299654.db2.gz USIVZEWNLTXAJN-CYBMUJFWSA-N 0 0 254.663 3.700 10 0 CHAERN O[C@H](c1cccs1)C1(c2ccccc2)CCOCC1 ZINC000062783407 526300713 /nfs/dbraw/zinc/30/07/13/526300713.db2.gz DSXMCSLKYSFHPG-OAHLLOKOSA-N 0 0 274.385 3.530 10 0 CHAERN O=C(CC/C=C/c1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000078078913 526325783 /nfs/dbraw/zinc/32/57/83/526325783.db2.gz IOSRQDQCQQAKLH-YWBLDPILSA-N 0 0 299.414 3.650 10 0 CHAERN Oc1c2ccccc2ccc1-c1ccc(Cl)nn1 ZINC000054930909 526332201 /nfs/dbraw/zinc/33/22/01/526332201.db2.gz WWWMYQOPBSLITM-UHFFFAOYSA-N 0 0 256.692 3.656 10 0 CHAERN Cc1csc(Cn2c3cccc(F)c3[nH]c2=S)n1 ZINC000049534156 526369263 /nfs/dbraw/zinc/36/92/63/526369263.db2.gz BMKSYTMSXPCOOO-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN Fc1cccc(-c2cc(C(F)(F)F)nc(Cl)n2)c1 ZINC000228687697 526380413 /nfs/dbraw/zinc/38/04/13/526380413.db2.gz IWDUMIYEIQMBIZ-UHFFFAOYSA-N 0 0 276.620 3.955 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2ccc(N)c(C)c2)s1 ZINC000049533735 526756444 /nfs/dbraw/zinc/75/64/44/526756444.db2.gz UQLCHBQFWAQSNA-JTQLQIEISA-N 0 0 261.394 3.824 10 0 CHAERN Clc1cc(Cl)cc(NCCCn2ccnc2)c1 ZINC000049327696 526928254 /nfs/dbraw/zinc/92/82/54/526928254.db2.gz FULALWRWOWWZHX-UHFFFAOYSA-N 0 0 270.163 3.692 10 0 CHAERN Cc1nc(Cl)cc(OC/C=C/c2ccccc2)n1 ZINC000052834963 526936118 /nfs/dbraw/zinc/93/61/18/526936118.db2.gz MNXSGQORPUWHOF-VMPITWQZSA-N 0 0 260.724 3.531 10 0 CHAERN Cc1nc(Cn2c(=S)[nH]c3cc(C)ccc32)cs1 ZINC000049534148 526943286 /nfs/dbraw/zinc/94/32/86/526943286.db2.gz PWGDWGABASNXBQ-UHFFFAOYSA-N 0 0 275.402 3.821 10 0 CHAERN NC(=S)c1c(Cl)cccc1Nc1cccc(F)c1 ZINC000052904029 527112996 /nfs/dbraw/zinc/11/29/96/527112996.db2.gz JVQWHJIZVZGWFU-UHFFFAOYSA-N 0 0 280.755 3.857 10 0 CHAERN NC(=S)c1cc(Cl)ccc1Nc1c(F)cccc1F ZINC000052858028 527115321 /nfs/dbraw/zinc/11/53/21/527115321.db2.gz JFKXQQCZGSTDDO-UHFFFAOYSA-N 0 0 298.745 3.996 10 0 CHAERN NC(=S)c1ccc(N2CCCCCCC2)c(Cl)c1 ZINC000062795208 527119048 /nfs/dbraw/zinc/11/90/48/527119048.db2.gz VDIXFGBHIBPUQT-UHFFFAOYSA-N 0 0 282.840 3.745 10 0 CHAERN NC(=S)c1ccc(NCc2ccccc2F)cc1Cl ZINC000061849046 527119699 /nfs/dbraw/zinc/11/96/99/527119699.db2.gz JRMHDRAPMPEKFB-UHFFFAOYSA-N 0 0 294.782 3.725 10 0 CHAERN NC(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000299889089 527124386 /nfs/dbraw/zinc/12/43/86/527124386.db2.gz DGPDPQVMQDBBBE-UHFFFAOYSA-N 0 0 297.408 3.954 10 0 CHAERN Cc1ncc(Cn2c3ccc(F)cc3[nH]c2=S)s1 ZINC000049534131 527287562 /nfs/dbraw/zinc/28/75/62/527287562.db2.gz FPLQLIDUBVEHAK-UHFFFAOYSA-N 0 0 279.365 3.651 10 0 CHAERN CC(C)(c1noc([C@@H]2CCC[C@@H](C(N)=O)C2)n1)C1CCC1 ZINC000333225930 527383241 /nfs/dbraw/zinc/38/32/41/527383241.db2.gz NCILAGOKAWQJJZ-GHMZBOCLSA-N 0 0 291.395 3.956 10 0 CHAERN Nc1cc(Cl)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000050599158 527451694 /nfs/dbraw/zinc/45/16/94/527451694.db2.gz HLPXQRHMVJOMIS-ZDUSSCGKSA-N 0 0 272.779 3.916 10 0 CHAERN Nc1cc(Cl)ccc1SCCCOCC(F)(F)F ZINC000049312593 527452599 /nfs/dbraw/zinc/45/25/99/527452599.db2.gz NDYDAPTYQWMNFF-UHFFFAOYSA-N 0 0 299.745 3.983 10 0 CHAERN Nc1ccc(N[C@H]2CCCc3ccccc32)c(F)c1 ZINC000051631127 527496306 /nfs/dbraw/zinc/49/63/06/527496306.db2.gz DDGOYBVLBMNZOK-HNNXBMFYSA-N 0 0 256.324 3.897 10 0 CHAERN Nc1ccc2c(c1)ncn2Cc1ccc(C(F)(F)F)cc1 ZINC000061627534 527508877 /nfs/dbraw/zinc/50/88/77/527508877.db2.gz JVYYRRLZLBTELS-UHFFFAOYSA-N 0 0 291.276 3.686 10 0 CHAERN Nc1ncccc1COc1c(Cl)cccc1Cl ZINC000052755537 527568581 /nfs/dbraw/zinc/56/85/81/527568581.db2.gz CEZJQWNYNRRJKJ-UHFFFAOYSA-N 0 0 269.131 3.550 10 0 CHAERN Nc1ncccc1COc1ccc(Cl)c(Cl)c1 ZINC000052755612 527568656 /nfs/dbraw/zinc/56/86/56/527568656.db2.gz ZEXDBFYNEDIBNP-UHFFFAOYSA-N 0 0 269.131 3.550 10 0 CHAERN O[C@@H](Cc1cccs1)Cc1ccc(Br)cc1 ZINC000052900169 527665264 /nfs/dbraw/zinc/66/52/64/527665264.db2.gz MUGNKMXKHVNVIF-GFCCVEGCSA-N 0 0 297.217 3.657 10 0 CHAERN O[C@@H](Cc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 ZINC000055202990 527664371 /nfs/dbraw/zinc/66/43/71/527664371.db2.gz OJHLYMDBKPJKDG-AWEZNQCLSA-N 0 0 270.225 3.519 10 0 CHAERN O[C@@H]1CCCc2nc(-c3ccc(F)c(Cl)c3)sc21 ZINC000062793110 527674075 /nfs/dbraw/zinc/67/40/75/527674075.db2.gz DFDBOKBZLQIFSK-LLVKDONJSA-N 0 0 283.755 3.972 10 0 CHAERN Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000113023323 527690519 /nfs/dbraw/zinc/69/05/19/527690519.db2.gz CZZLCMMNYLPWAX-GFCCVEGCSA-N 0 0 299.418 3.517 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(Br)cc1 ZINC000087406665 527700130 /nfs/dbraw/zinc/70/01/30/527700130.db2.gz DREPFRZIKMVNIB-VIFPVBQESA-N 0 0 294.196 3.664 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(F)c(Cl)c1 ZINC000087407217 527700316 /nfs/dbraw/zinc/70/03/16/527700316.db2.gz ALEHBXOAQRQSKN-QMMMGPOBSA-N 0 0 267.735 3.694 10 0 CHAERN CC(C)c1ccc(/C=C\C(=O)Nc2nccs2)cc1 ZINC000096465703 528057337 /nfs/dbraw/zinc/05/73/37/528057337.db2.gz SKYXHLUDOCZVBP-YVMONPNESA-N 0 0 272.373 3.918 10 0 CHAERN CCOc1cc(N2CCC(=Cc3ccccc3)CC2)ncn1 ZINC000302315223 528309471 /nfs/dbraw/zinc/30/94/71/528309471.db2.gz URAQLHWFJUCLGF-UHFFFAOYSA-N 0 0 295.386 3.559 10 0 CHAERN CCS[C@H]1CC[C@H](Nc2nc(CC(C)C)ns2)C1 ZINC000302285404 529234972 /nfs/dbraw/zinc/23/49/72/529234972.db2.gz LPUSRKIGPGUSSB-QWRGUYRKSA-N 0 0 285.482 3.823 10 0 CHAERN Clc1ccc(CCc2cc(Cl)ncn2)cc1 ZINC000409429106 567899699 /nfs/dbraw/zinc/89/96/99/567899699.db2.gz IAWFBJFOQOOHOT-UHFFFAOYSA-N 0 0 253.132 3.569 10 0 CHAERN CC[C@H](C)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243319 570255245 /nfs/dbraw/zinc/25/52/45/570255245.db2.gz WYSWPRLXRLXZOO-LURJTMIESA-N 0 0 277.677 3.915 10 0 CHAERN CCC(CC)c1nc2cc(C)c(C)c(Cl)n2n1 ZINC000725246638 570255755 /nfs/dbraw/zinc/25/57/55/570255755.db2.gz REHWXCMWSXWPEG-UHFFFAOYSA-N 0 0 251.761 3.903 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2cccc(C=O)c2)n1 ZINC000725270115 570263318 /nfs/dbraw/zinc/26/33/18/570263318.db2.gz HIGVHWBCMJTWRW-UHFFFAOYSA-N 0 0 264.275 3.881 10 0 CHAERN COc1ccc(-c2cc3ccc(O)cc3o2)c(O)c1 ZINC000000024554 560176869 /nfs/dbraw/zinc/17/68/69/560176869.db2.gz XDBDADAPEFSDHG-UHFFFAOYSA-N 0 0 256.257 3.520 10 0 biogenic,in-vitro CHAERN COc1ccc(-c2cc3cc(O)c(OC)cc3o2)c(O)c1 ZINC000000897900 560179143 /nfs/dbraw/zinc/17/91/43/560179143.db2.gz BVSPXSLCUKWRNP-UHFFFAOYSA-N 0 0 286.283 3.528 10 0 biogenic,in-vitro CHAERN CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]31)[C@H](O)C2 ZINC000005955089 560203970 /nfs/dbraw/zinc/20/39/70/560203970.db2.gz HONLKDDLTAZVQV-NZSAHSFTSA-N 0 0 296.414 3.625 10 0 in-vitro CHAERN Cc1nc(C(Cl)(Cl)Cl)nc(Cl)c1C ZINC000685958596 566823784 /nfs/dbraw/zinc/82/37/84/566823784.db2.gz ATOMPWKIZLGUAS-UHFFFAOYSA-N 0 0 259.951 3.574 10 0 CHAERN C[C@@H]1C(=O)CC[C@H]1Sc1cccc(Br)c1 ZINC000083000641 566962062 /nfs/dbraw/zinc/96/20/62/566962062.db2.gz XZADRCVHKNRVCW-PRHODGIISA-N 0 0 285.206 3.909 10 0 CHAERN FC(F)(F)c1ccccc1-c1nsc(Cl)n1 ZINC000071787771 566970545 /nfs/dbraw/zinc/97/05/45/566970545.db2.gz OSBYGUMKNFFPMR-UHFFFAOYSA-N 0 0 264.659 3.877 10 0 CHAERN Cc1c(N)cc(-c2cccc(N)c2)cc1C(F)(F)F ZINC000675079278 567025589 /nfs/dbraw/zinc/02/55/89/567025589.db2.gz FAMNIDNAFFAYAO-UHFFFAOYSA-N 0 0 266.266 3.845 10 0 CHAERN O=C(NC(=O)c1ccc2ccccc2c1)Nc1ccccc1 ZINC000048523156 567091297 /nfs/dbraw/zinc/09/12/97/567091297.db2.gz GBMDQJHXMRNEOO-UHFFFAOYSA-N 0 0 290.322 3.802 10 0 CHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2C[C@H]2C2CC2)o1 ZINC000299746876 567148290 /nfs/dbraw/zinc/14/82/90/567148290.db2.gz BNERKZPRJDEXLZ-CYDGBPFRSA-N 0 0 276.380 3.502 10 0 CHAERN CCC(C)(C)CC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000685962135 567210598 /nfs/dbraw/zinc/21/05/98/567210598.db2.gz VVIPQUXQWRIRPT-CYBMUJFWSA-N 0 0 291.391 3.697 10 0 CHAERN COc1ccc(Oc2ccc(C(C)=O)cc2F)cc1 ZINC000019871562 567210957 /nfs/dbraw/zinc/21/09/57/567210957.db2.gz PPRNBHUZTQZNKA-UHFFFAOYSA-N 0 0 260.264 3.829 10 0 CHAERN O=C(CCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000003048097 567851490 /nfs/dbraw/zinc/85/14/90/567851490.db2.gz WMXWHRRREJRQEW-UHFFFAOYSA-N 0 0 250.341 3.991 10 0 CHAERN CP(C)(=O)COc1ccccc1OCP(C)(C)=O ZINC000003159948 567851617 /nfs/dbraw/zinc/85/16/17/567851617.db2.gz AQLQNLLRCINEHP-UHFFFAOYSA-N 0 0 290.236 3.605 10 0 CHAERN COc1ccc(-c2ccncc2Br)cc1 ZINC000003880925 567854394 /nfs/dbraw/zinc/85/43/94/567854394.db2.gz OHGNCIYQZUABSZ-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004324238 567856887 /nfs/dbraw/zinc/85/68/87/567856887.db2.gz QPUBAQHSJFYHIW-NRUUGDAUSA-N 0 0 278.808 3.591 10 0 CHAERN C[C@H]1CCNc2c(Br)c(C3CCCC3)nn21 ZINC000235616715 567887934 /nfs/dbraw/zinc/88/79/34/567887934.db2.gz FCLKMSZHPSKFHO-QMMMGPOBSA-N 0 0 284.201 3.680 10 0 CHAERN COc1ccc2c(c1)c(C=O)cn2Cc1cccc(C)c1 ZINC000041434366 567891427 /nfs/dbraw/zinc/89/14/27/567891427.db2.gz DSYVFGSSSVLJCN-UHFFFAOYSA-N 0 0 279.339 3.819 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCNc2ccc(Cl)cc21 ZINC000068575627 567901083 /nfs/dbraw/zinc/90/10/83/567901083.db2.gz HJSJGOZAQBFPAB-GFCCVEGCSA-N 0 0 282.771 3.721 10 0 CHAERN Fc1ncc(Cl)cc1-c1ccc(Br)nc1 ZINC000725241322 567908039 /nfs/dbraw/zinc/90/80/39/567908039.db2.gz KZBOAFVVGIZTOG-UHFFFAOYSA-N 0 0 287.519 3.699 10 0 CHAERN CC(C)n1cncc1-c1cccc(OC(F)F)c1 ZINC000725245896 567908166 /nfs/dbraw/zinc/90/81/66/567908166.db2.gz MKWFJNKEQFDEGW-UHFFFAOYSA-N 0 0 252.264 3.732 10 0 CHAERN Clc1cc(C2CC2)cc2nc(C3CCCC3)nn21 ZINC000725246274 567908206 /nfs/dbraw/zinc/90/82/06/567908206.db2.gz TWHHRGLXJSNDQQ-UHFFFAOYSA-N 0 0 261.756 3.918 10 0 CHAERN CCc1c(C)cc2nc([C@H](C)CC)nn2c1Cl ZINC000725245373 567908305 /nfs/dbraw/zinc/90/83/05/567908305.db2.gz CMDFNNNRJXOEBI-MRVPVSSYSA-N 0 0 251.761 3.767 10 0 CHAERN CC(C)n1cncc1-c1ccc(OC(F)F)cc1F ZINC000725246313 567908350 /nfs/dbraw/zinc/90/83/50/567908350.db2.gz UVXDZDYKOKUSCO-UHFFFAOYSA-N 0 0 270.254 3.872 10 0 CHAERN CC(C)c1ccc(-n2cc(C=O)c(Br)n2)cc1 ZINC000725246977 567908445 /nfs/dbraw/zinc/90/84/45/567908445.db2.gz CHBVXGZHSXBZRI-UHFFFAOYSA-N 0 0 293.164 3.571 10 0 CHAERN CC(C)(C)Cc1nc2c(Cl)cccc2cc1NN ZINC000725268693 567923975 /nfs/dbraw/zinc/92/39/75/567923975.db2.gz YLGCZUJBDYKEDI-UHFFFAOYSA-N 0 0 263.772 3.762 10 0 CHAERN CC[C@H](C)[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@@H]1O ZINC000725267982 567924070 /nfs/dbraw/zinc/92/40/70/567924070.db2.gz DNBVSSKVKJQHAL-UVBJJODRSA-N 0 0 261.409 3.728 10 0 CHAERN CCn1cc(C(F)F)c(-c2cc(F)cc(F)c2)n1 ZINC000725269894 567924356 /nfs/dbraw/zinc/92/43/56/567924356.db2.gz GMKUBGSQOVNIAU-UHFFFAOYSA-N 0 0 258.218 3.786 10 0 CHAERN CCn1cc(C(F)F)c(-c2cccc(NC)c2)n1 ZINC000725270269 567924694 /nfs/dbraw/zinc/92/46/94/567924694.db2.gz KTCOYWRILYKXLB-UHFFFAOYSA-N 0 0 251.280 3.549 10 0 CHAERN CC(C)n1cc(C(F)F)c(-c2ccc(F)nc2)n1 ZINC000725270788 567924701 /nfs/dbraw/zinc/92/47/01/567924701.db2.gz SXHSAPULVKOXQQ-UHFFFAOYSA-N 0 0 255.243 3.603 10 0 CHAERN Cn1cc(C(F)F)c(-c2ccc(Br)cc2)n1 ZINC000725270181 567924821 /nfs/dbraw/zinc/92/48/21/567924821.db2.gz IHUHVFOFFJQMGN-UHFFFAOYSA-N 0 0 287.107 3.787 10 0 CHAERN CC(C)CN[P@](=O)(c1ccccc1)C(C)(C)C ZINC000100489520 567927522 /nfs/dbraw/zinc/92/75/22/567927522.db2.gz YJBLYFBHHZDRIU-KRWDZBQOSA-N 0 0 253.326 3.634 10 0 CHAERN C[C@@H]1CCc2nc(-c3ccccc3Br)cn2C1 ZINC000258482726 567930935 /nfs/dbraw/zinc/93/09/35/567930935.db2.gz QQJDGPLHHSOBJU-SNVBAGLBSA-N 0 0 291.192 3.895 10 0 CHAERN CC(C)(C)OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000115408287 570237752 /nfs/dbraw/zinc/23/77/52/570237752.db2.gz HSRRZIUQYVNWQZ-FNORWQNLSA-N 0 0 283.711 3.603 10 0 CHAERN FC(F)(F)c1cc2nc(C3CCC3)nn2c(Cl)c1 ZINC000725243371 570255023 /nfs/dbraw/zinc/25/50/23/570255023.db2.gz ZQVDLELANAMUOU-UHFFFAOYSA-N 0 0 275.661 3.669 10 0 CHAERN CCOc1ccc(/C=C/C(=O)OC(C)(C)C)cc1OCC ZINC000725273812 570264371 /nfs/dbraw/zinc/26/43/71/570264371.db2.gz IQOXOXIDPXUQPP-PKNBQFBNSA-N 0 0 292.375 3.839 10 0 CHAERN CCCOc1cncc(-c2cc(C)c(C=O)cc2C)c1 ZINC000675072892 570366915 /nfs/dbraw/zinc/36/69/15/570366915.db2.gz OPIYCWUNBOLLLA-UHFFFAOYSA-N 0 0 269.344 3.967 10 0 CHAERN Nc1nc2cc(Cl)c(Cl)c(Cl)c2s1 ZINC000013208149 570392090 /nfs/dbraw/zinc/39/20/90/570392090.db2.gz PZTKRJPVVXGQBP-UHFFFAOYSA-N 0 0 253.541 3.839 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@H](/C=C/Br)C1 ZINC000606297551 570408359 /nfs/dbraw/zinc/40/83/59/570408359.db2.gz FLNFDZGTFAYIGI-VQCYPWCPSA-N 0 0 290.201 3.542 10 0 CHAERN CCc1nn2c(c1Br)N[C@@H](CC)C[C@H]2CC ZINC000234080796 570411776 /nfs/dbraw/zinc/41/17/76/570411776.db2.gz ZMVDWTLECDWIGW-DTWKUNHWSA-N 0 0 286.217 3.753 10 0 CHAERN C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1C(=O)[O-] ZINC000717530382 955143140 /nfs/dbraw/zinc/14/31/40/955143140.db2.gz GHLPIIQJCROYKQ-WFASDCNBSA-N 0 0 275.392 3.689 10 0 CHAERN C[C@H]1CC(C[NH2+]Cc2ccsc2C(=O)[O-])C[C@H](C)C1 ZINC000695318268 976792489 /nfs/dbraw/zinc/79/24/89/976792489.db2.gz VSJNZIZIUMRARO-GHMZBOCLSA-N 0 0 281.421 3.608 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2CCCCC[C@H]21 ZINC000362837273 1127651139 /nfs/dbraw/zinc/65/11/39/1127651139.db2.gz CNRQKNHGZNVXAD-GDBMZVCRSA-N 0 0 268.360 3.573 10 0 CHAERN O=C(c1occc1Br)N1CCC12CCCCC2 ZINC000372965770 1127818867 /nfs/dbraw/zinc/81/88/67/1127818867.db2.gz DMNRKPYIUNMTBN-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN Cc1ccc(F)c(C(=O)N2CCCC23CCCC3)c1 ZINC000365542214 1118049884 /nfs/dbraw/zinc/04/98/84/1118049884.db2.gz WHWSOEAPOJELQU-UHFFFAOYSA-N 0 0 261.340 3.683 10 0 CHAERN Cc1cccc(CNC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000101797801 1118158302 /nfs/dbraw/zinc/15/83/02/1118158302.db2.gz YRDILEABBLOIQZ-UHFFFAOYSA-N 0 0 297.402 3.510 10 0 CHAERN Cc1ccsc1COC(=O)/C=C\c1cncc(C)c1 ZINC000588395066 1118523612 /nfs/dbraw/zinc/52/36/12/1118523612.db2.gz DBRWDCLPOHJCMD-ARJAWSKDSA-N 0 0 273.357 3.517 10 0 CHAERN CCCCC[C@@H](NC(=O)/C=C\c1ccncn1)C(C)(C)C ZINC000588438697 1118750102 /nfs/dbraw/zinc/75/01/02/1118750102.db2.gz PWFOFVQCVIXWKA-FJVVXJACSA-N 0 0 289.423 3.601 10 0 CHAERN Cc1ccc(/C=C\CC(=O)OCc2cc(C)nc(C)n2)cc1 ZINC000588441785 1118751652 /nfs/dbraw/zinc/75/16/52/1118751652.db2.gz ZSBVJEQTYXLDOQ-PLNGDYQASA-N 0 0 296.370 3.549 10 0 CHAERN C/C(=C/C(=O)OCCC[C@H]1CCCO1)c1ccccc1 ZINC000588449083 1118788913 /nfs/dbraw/zinc/78/89/13/1118788913.db2.gz PNTYMGFQTPPIQT-OMACXJQVSA-N 0 0 274.360 3.592 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)OC1C[C@@H](C)O[C@@H](C)C1 ZINC000588449124 1118789954 /nfs/dbraw/zinc/78/99/54/1118789954.db2.gz QCXOYTOXGDMQLQ-LZNODDDYSA-N 0 0 292.350 3.728 10 0 CHAERN Cc1cc(C)cc([C@@H](C)NC(=O)/C=C\c2ncccc2C)c1 ZINC000588452865 1118799335 /nfs/dbraw/zinc/79/93/35/1118799335.db2.gz AOKKZAWIBXAIRC-XITLMJRVSA-N 0 0 294.398 3.897 10 0 CHAERN Cc1cc(COC(=O)/C=C\c2ncccc2C)c(C)s1 ZINC000588455227 1118801575 /nfs/dbraw/zinc/80/15/75/1118801575.db2.gz QUGHENLISWFTFF-SREVYHEPSA-N 0 0 287.384 3.825 10 0 CHAERN CCC[C@@H](CC)OC(=O)/C=C\c1scnc1C ZINC000588521993 1119090248 /nfs/dbraw/zinc/09/02/48/1119090248.db2.gz FIVDUFVTRZHEFR-SKVAFPRGSA-N 0 0 253.367 3.587 10 0 CHAERN CC(C)(C)/C=C\C(=O)NCc1ccc(Cl)cc1F ZINC000588524506 1119096274 /nfs/dbraw/zinc/09/62/74/1119096274.db2.gz QRWUIMYAEIEGCX-SREVYHEPSA-N 0 0 269.747 3.698 10 0 CHAERN C/C(=C/C(C)(C)C)C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC000588561932 1119266394 /nfs/dbraw/zinc/26/63/94/1119266394.db2.gz ZWWCNIQIEJCCBN-KAMYIIQDSA-N 0 0 289.419 3.660 10 0 CHAERN C/C=C(/CC)C(=O)Nc1nc2cc(Cl)ccc2n1C ZINC000588571793 1119327987 /nfs/dbraw/zinc/32/79/87/1119327987.db2.gz IKDUDMRAWONADO-WTKPLQERSA-N 0 0 277.755 3.522 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)N1CCSCC[C@H]1C ZINC000588586137 1119431356 /nfs/dbraw/zinc/43/13/56/1119431356.db2.gz ZVIICMKJCCIWFX-YLGBQOPLSA-N 0 0 293.407 3.583 10 0 CHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@H]2CCC(=O)c3cccn32)n1 ZINC000329571268 1119437379 /nfs/dbraw/zinc/43/73/79/1119437379.db2.gz IWYRPRKXMPUNJD-MBNYWOFBSA-N 0 0 299.374 3.731 10 0 CHAERN CC/C=C(/C)C(=O)OCC1(c2ccccc2)CCOCC1 ZINC000588599824 1119529461 /nfs/dbraw/zinc/52/94/61/1119529461.db2.gz MLBFICBHPDMBMK-CHHVJCJISA-N 0 0 288.387 3.634 10 0 CHAERN COC[C@H](NC(=O)/C=C/C(C)(C)C)c1ccc(Cl)cc1 ZINC000588602370 1119536893 /nfs/dbraw/zinc/53/68/93/1119536893.db2.gz GWBSPZWTGZBJLP-HBWSCVEGSA-N 0 0 295.810 3.746 10 0 CHAERN C/C=C(/C)C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000588402495 1120071359 /nfs/dbraw/zinc/07/13/59/1120071359.db2.gz PSEMDNKPGJCAQK-BNNQUZSASA-N 0 0 266.344 3.581 10 0 CHAERN C[C@@H](CC(=O)N1CCCCC[C@@H]1c1ncon1)C(C)(C)C ZINC000408274959 1120992171 /nfs/dbraw/zinc/99/21/71/1120992171.db2.gz QUUNGUJKOMEVQZ-QWHCGFSZSA-N 0 0 293.411 3.586 10 0 CHAERN C[C@@H](CC(=O)N1CCCCC[C@H]1c1ncon1)C(C)(C)C ZINC000408274960 1120992237 /nfs/dbraw/zinc/99/22/37/1120992237.db2.gz QUUNGUJKOMEVQZ-STQMWFEESA-N 0 0 293.411 3.586 10 0 CHAERN Cc1nc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)c(C)o1 ZINC000293647131 1121812217 /nfs/dbraw/zinc/81/22/17/1121812217.db2.gz UXHIKGZFNAXDCZ-BONVTDFDSA-N 0 0 284.359 3.660 10 0 CHAERN CC[C@H](C(=O)OCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000104557895 1122998768 /nfs/dbraw/zinc/99/87/68/1122998768.db2.gz MWRRINZACHMSGZ-HNNXBMFYSA-N 0 0 298.338 3.652 10 0 CHAERN CC[C@H](C)c1ccc(OC(=O)c2ncoc2C)cc1 ZINC000105755271 1123065788 /nfs/dbraw/zinc/06/57/88/1123065788.db2.gz PKAWVKOGKMNGIF-JTQLQIEISA-N 0 0 259.305 3.716 10 0 CHAERN Cc1nc(-c2noc([C@H]3C[C@@H](C)CC(C)(C)C3)n2)co1 ZINC000329691294 1123645980 /nfs/dbraw/zinc/64/59/80/1123645980.db2.gz WHCOPBNHGLCYCW-KOLCDFICSA-N 0 0 275.352 3.963 10 0 CHAERN CC[C@@H]1CC[C@H](c2nc(CO[C@H]3CCCC[C@H]3C)no2)O1 ZINC000329703581 1123647540 /nfs/dbraw/zinc/64/75/40/1123647540.db2.gz IKESLIRMOFYETK-YIYPIFLZSA-N 0 0 294.395 3.795 10 0 CHAERN C[C@@H]1C[C@H](c2nc(-c3ccon3)no2)CC(C)(C)C1 ZINC000329744112 1123652463 /nfs/dbraw/zinc/65/24/63/1123652463.db2.gz XPUOTPJMPQMLMU-ZJUUUORDSA-N 0 0 261.325 3.654 10 0 CHAERN CC[C@H](CC(=O)N(C)Cc1ccc(Cl)nc1)C(C)C ZINC000104837123 1125434110 /nfs/dbraw/zinc/43/41/10/1125434110.db2.gz UGBBAJXRANVSNM-CYBMUJFWSA-N 0 0 282.815 3.766 10 0 CHAERN CC(C)(C)SCC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103053684 1129695073 /nfs/dbraw/zinc/69/50/73/1129695073.db2.gz DSZVMWQORKIKBR-UHFFFAOYSA-N 0 0 283.412 3.709 10 0 CHAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(F)F ZINC000103653977 1131943046 /nfs/dbraw/zinc/94/30/46/1131943046.db2.gz MFWAHVAFWLDLMH-LURJTMIESA-N 0 0 299.100 3.569 10 0 CHAERN COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](O)[C@@]3(C)CC[C@@H]21 ZINC000004074071 230368554 /nfs/dbraw/zinc/36/85/54/230368554.db2.gz ULAADVBNYHGIBP-VHPHOLNESA-N 0 0 286.415 3.912 10 0 CHAERN CC(C)(C)c1cc(OC2CC2)cnc1Br ZINC000095719973 185018768 /nfs/dbraw/zinc/01/87/68/185018768.db2.gz YDJCMNSHONYZCH-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)c1cc(OC2CC2)c(Br)cn1 ZINC000095720346 185018989 /nfs/dbraw/zinc/01/89/89/185018989.db2.gz XHKLSEOAOMPPOY-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)c1cc(OC2CC2)c(Br)cn1 ZINC000095721580 185019709 /nfs/dbraw/zinc/01/97/09/185019709.db2.gz UOBYPQRUNDUUOW-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)(C)c1cncc(Br)c1OC1CC1 ZINC000095724220 185020454 /nfs/dbraw/zinc/02/04/54/185020454.db2.gz FQLWVIPWURVPEL-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)(C)Oc1c(Br)cncc1OC1CC1 ZINC000095725332 185021762 /nfs/dbraw/zinc/02/17/62/185021762.db2.gz HHYPOJJBIHDYIS-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CCOC(=O)c1nc(-c2cc(C)cc(C)c2)cs1 ZINC000095751591 185025659 /nfs/dbraw/zinc/02/56/59/185025659.db2.gz WPGJVJMWXMYYNN-UHFFFAOYSA-N 0 0 261.346 3.604 10 0 CHAERN CC1(C)CNc2c1cc(Cl)cc2Br ZINC000082569894 178104965 /nfs/dbraw/zinc/10/49/65/178104965.db2.gz KCFCGFMPNCHZRL-UHFFFAOYSA-N 0 0 260.562 3.806 10 0 CHAERN Brc1ccc(-n2ccc3cccnc32)cc1 ZINC000095910934 185031195 /nfs/dbraw/zinc/03/11/95/185031195.db2.gz XNSOMQRWWIHHGW-UHFFFAOYSA-N 0 0 273.133 3.788 10 0 CHAERN CC(C)(C)OC(=O)NC[C@H]1CCc2ccc(Cl)cc21 ZINC000095930548 185032392 /nfs/dbraw/zinc/03/23/92/185032392.db2.gz XPIDTAMFETWZMK-LLVKDONJSA-N 0 0 281.783 3.895 10 0 CHAERN Cc1ccc(Oc2nc(Cl)c(C=O)s2)cc1 ZINC000082699318 178201033 /nfs/dbraw/zinc/20/10/33/178201033.db2.gz OQDSFDZIVKYAFK-UHFFFAOYSA-N 0 0 253.710 3.710 10 0 CHAERN Cc1cccc2c(Br)cnc(Cl)c12 ZINC000082767444 178282009 /nfs/dbraw/zinc/28/20/09/178282009.db2.gz KZYMDOFDUZKDHK-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN CCC(=O)c1cc(Cl)cc(Br)c1OC ZINC000083163989 178346786 /nfs/dbraw/zinc/34/67/86/178346786.db2.gz IHTNQYVNSXPWIL-UHFFFAOYSA-N 0 0 277.545 3.704 10 0 CHAERN COc1ccccc1-c1ccncc1Br ZINC000096135151 185104599 /nfs/dbraw/zinc/10/45/99/185104599.db2.gz NBVFMEKAPRRZFT-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN Fc1cccc(F)c1CNc1cnccc1Cl ZINC000083400037 178413214 /nfs/dbraw/zinc/41/32/14/178413214.db2.gz WEKLCVWLNRXZLX-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN CCC1CCC(NC(=O)N(C)[C@@H](C)c2ccncc2)CC1 ZINC000127129325 187284638 /nfs/dbraw/zinc/28/46/38/187284638.db2.gz YYWRBMHQQSIOTQ-HLIUYOAVSA-N 0 0 289.423 3.753 10 0 CHAERN Cc1cc(C(=O)c2cccc(Cl)c2)c(N)s1 ZINC000085343556 179027799 /nfs/dbraw/zinc/02/77/99/179027799.db2.gz CWJXMGOPQARLIZ-UHFFFAOYSA-N 0 0 251.738 3.523 10 0 CHAERN Cc1ccc(C2=NC(=CNc3cccc(C)c3)C(=O)O2)cc1 ZINC000100135876 185705895 /nfs/dbraw/zinc/70/58/95/185705895.db2.gz MYPPKXAZPVMPHW-WJDWOHSUSA-N 0 0 292.338 3.560 10 0 CHAERN CCCCCCc1sc(N)c(C(=O)NC(C)C)c1C ZINC000103281847 185825575 /nfs/dbraw/zinc/82/55/75/185825575.db2.gz DPHGZIHFVJQWOX-UHFFFAOYSA-N 0 0 282.453 3.900 10 0 CHAERN CCCc1nnc(Cl)n1-c1ccc(C)c(Cl)c1 ZINC000103926174 185862041 /nfs/dbraw/zinc/86/20/41/185862041.db2.gz LZEDJWJEJNGBBE-UHFFFAOYSA-N 0 0 270.163 3.835 10 0 CHAERN CCc1nnc(Cl)n1Cc1ccccc1C(F)(F)F ZINC000103928791 185863172 /nfs/dbraw/zinc/86/31/72/185863172.db2.gz PJWQDCPTUPWZSC-UHFFFAOYSA-N 0 0 289.688 3.561 10 0 CHAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)C1CCCC1 ZINC000104043963 185885630 /nfs/dbraw/zinc/88/56/30/185885630.db2.gz WLLROQKDAODRIZ-SECBINFHSA-N 0 0 269.291 3.999 10 0 CHAERN C[C@H]1CCC[C@@H](c2noc(CC(=O)C(C)(C)C)n2)C1 ZINC000104051081 185885834 /nfs/dbraw/zinc/88/58/34/185885834.db2.gz MDVDDVUTAGVPIH-WDEREUQCSA-N 0 0 264.369 3.521 10 0 CHAERN CCOC(=O)c1ccc(N[C@H](C)C2CCCC2)cc1 ZINC000104046043 185886234 /nfs/dbraw/zinc/88/62/34/185886234.db2.gz QQMRXJVREUTTHQ-GFCCVEGCSA-N 0 0 261.365 3.854 10 0 CHAERN CCOc1cc(O[C@@H]2CCC[C@@H](C)C2)c(N)cc1F ZINC000104134012 185904199 /nfs/dbraw/zinc/90/41/99/185904199.db2.gz JFLTZXGRLLLALR-GHMZBOCLSA-N 0 0 267.344 3.764 10 0 CHAERN Cc1cccc([C@@H](O)c2ccc(Cl)c(Cl)c2)n1 ZINC000104159261 185913638 /nfs/dbraw/zinc/91/36/38/185913638.db2.gz GXQVBMOPYKOXBM-ZDUSSCGKSA-N 0 0 268.143 3.779 10 0 CHAERN CCCCC[C@H](C)Nc1nc(Cl)nc(OCCC)n1 ZINC000104157382 185913672 /nfs/dbraw/zinc/91/36/72/185913672.db2.gz OMPWQVMDBJEETC-JTQLQIEISA-N 0 0 286.807 3.695 10 0 CHAERN O[C@H](CC1(c2ccccc2)CCC1)c1ccccn1 ZINC000087493533 179435232 /nfs/dbraw/zinc/43/52/32/179435232.db2.gz NMGOTHDWTPUALS-MRXNPFEDSA-N 0 0 253.345 3.627 10 0 CHAERN Cc1ccsc1[C@H](O)[C@H]1CCOc2ccccc21 ZINC000104189352 185922148 /nfs/dbraw/zinc/92/21/48/185922148.db2.gz DKBSVYFVLIKGNU-GXTWGEPZSA-N 0 0 260.358 3.656 10 0 CHAERN Cc1cccnc1CNc1ccc(N)cc1C(F)F ZINC000104208552 185932037 /nfs/dbraw/zinc/93/20/37/185932037.db2.gz QMHDBHPRJOVWIQ-UHFFFAOYSA-N 0 0 263.291 3.522 10 0 CHAERN NC(=S)c1ccc(NC[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC000104229951 185938215 /nfs/dbraw/zinc/93/82/15/185938215.db2.gz FJESAUYDQVKNPO-UMNHJUIQSA-N 0 0 294.851 3.822 10 0 CHAERN Cc1nn(CCC(C)(C)C)c(C)c1C(=O)C(F)(F)F ZINC000104313827 185964252 /nfs/dbraw/zinc/96/42/52/185964252.db2.gz GGJOREUVNODBEM-UHFFFAOYSA-N 0 0 276.302 3.681 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2ccccc2[C@@H](C)O)s1 ZINC000104322112 185967510 /nfs/dbraw/zinc/96/75/10/185967510.db2.gz XDELKAKGIIASKW-GHMZBOCLSA-N 0 0 276.405 3.986 10 0 CHAERN COc1cc(OC)c(F)c(NCc2ccccc2)c1F ZINC000090527803 179997806 /nfs/dbraw/zinc/99/78/06/179997806.db2.gz CWDDYYUNWFYEGS-UHFFFAOYSA-N 0 0 279.286 3.594 10 0 CHAERN Cc1cc(N)c(NC(=O)C[C@@H](C)C(C)(C)C)cc1C ZINC000104435525 186001034 /nfs/dbraw/zinc/00/10/34/186001034.db2.gz XPRGMRMVOWVXEA-GFCCVEGCSA-N 0 0 262.397 3.896 10 0 CHAERN Cc1ncsc1CN(C)c1ccc([C@H](C)O)cc1Cl ZINC000104444542 186004452 /nfs/dbraw/zinc/00/44/52/186004452.db2.gz ZGPDQCZXQDTBOM-JTQLQIEISA-N 0 0 296.823 3.795 10 0 CHAERN Nc1ccc(SC(F)(F)F)c(C(F)(F)F)c1 ZINC000091252715 180114982 /nfs/dbraw/zinc/11/49/82/180114982.db2.gz KCWKHKUZKSLAGY-UHFFFAOYSA-N 0 0 261.190 3.900 10 0 CHAERN FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC000091368449 180143242 /nfs/dbraw/zinc/14/32/42/180143242.db2.gz QWMDCEXQXXIPGH-UHFFFAOYSA-N 0 0 292.304 3.659 10 0 CHAERN C[C@H]1CCCC[C@@H]1OC(=O)c1cc(Cl)ccc1N ZINC000110463584 186297241 /nfs/dbraw/zinc/29/72/41/186297241.db2.gz WGAIUCCPWZNVQQ-ZANVPECISA-N 0 0 267.756 3.658 10 0 CHAERN CSc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccco1 ZINC000121140242 186953285 /nfs/dbraw/zinc/95/32/85/186953285.db2.gz QAVDRJSDEDYDQE-MNOVXSKESA-N 0 0 273.357 3.744 10 0 CHAERN CC(C)=C(F)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190368246 189562057 /nfs/dbraw/zinc/56/20/57/189562057.db2.gz ZIVOZHGYNZSJHW-ONGXEEELSA-N 0 0 268.332 3.709 10 0 CHAERN O=c1cc(C(F)(F)F)c2c3ccccc3sc2[nH]1 ZINC000217015325 189707763 /nfs/dbraw/zinc/70/77/63/189707763.db2.gz YCUMJGGZQDYDRF-UHFFFAOYSA-N 0 0 269.247 3.762 10 0 CHAERN Nc1ccccc1SC[C@@H](O)CSc1cccs1 ZINC000000160147 169558409 /nfs/dbraw/zinc/55/84/09/169558409.db2.gz DGNCTFGANNEYCV-SNVBAGLBSA-N 0 0 297.470 3.576 10 0 CHAERN O[C@H](c1ccccc1)C1(Br)[C@@H]2CCCC[C@@H]21 ZINC000000163768 169559784 /nfs/dbraw/zinc/55/97/84/169559784.db2.gz VCLHWKWUHGBUCU-RBKKPWLPSA-N 0 0 281.193 3.674 10 0 CHAERN NC(=S)c1ccnc(Nc2cccc(Cl)c2Cl)c1 ZINC000019230516 184534243 /nfs/dbraw/zinc/53/42/43/184534243.db2.gz WMEIKQNVOZXQCF-UHFFFAOYSA-N 0 0 298.198 3.766 10 0 CHAERN C[C@@H](c1ccccc1)N1CC[C@@H]1C(=O)OCc1ccccc1 ZINC000096330755 256839773 /nfs/dbraw/zinc/83/97/73/256839773.db2.gz CANYIAQWEWELJV-MAUKXSAKSA-N 0 0 295.382 3.565 10 0 CHAERN CO[C@H]1CCCC[C@H]1Nc1cc(C)c(Br)cn1 ZINC000301843483 533229665 /nfs/dbraw/zinc/22/96/65/533229665.db2.gz RKTKGINWYNWRRT-NEPJUHHUSA-N 0 0 299.212 3.522 10 0 CHAERN CCN(CC)S(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C ZINC000000572697 169670891 /nfs/dbraw/zinc/67/08/91/169670891.db2.gz VPNFQAXJFWJRKY-UHFFFAOYSA-N 0 0 297.464 3.631 10 0 CHAERN C[C@@H]1CCc2ccccc2N1c1ccc(N)cc1F ZINC000020474811 134731295 /nfs/dbraw/zinc/73/12/95/134731295.db2.gz VIJHDOXXAANQRB-LLVKDONJSA-N 0 0 256.324 3.881 10 0 CHAERN Cc1ccc(C(=O)CN2CCCc3ccccc32)cc1 ZINC000035020279 134786814 /nfs/dbraw/zinc/78/68/14/134786814.db2.gz AMUUCXCXTYLFHZ-UHFFFAOYSA-N 0 0 265.356 3.631 10 0 CHAERN CCC[C@@H](O)CCc1ccc(Br)s1 ZINC000044469751 175177500 /nfs/dbraw/zinc/17/75/00/175177500.db2.gz XNAFLWIGTBEGFT-MRVPVSSYSA-N 0 0 263.200 3.604 10 0 CHAERN CCOC(=O)C1=CC2c3ccccc3C1c1ccccc12 ZINC000003127967 169858715 /nfs/dbraw/zinc/85/87/15/169858715.db2.gz AAVOYVVMXYRDJL-UHFFFAOYSA-N 0 0 276.335 3.767 10 0 CHAERN C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cccc2)C1 ZINC000005055309 170061811 /nfs/dbraw/zinc/06/18/11/170061811.db2.gz IXRUOXJERBPCSM-FUHWJXTLSA-N 0 0 296.414 3.530 10 0 CHAERN C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cccc2)C1 ZINC000005055308 170061941 /nfs/dbraw/zinc/06/19/41/170061941.db2.gz IXRUOXJERBPCSM-SJLPKXTDSA-N 0 0 296.414 3.530 10 0 CHAERN CCCc1cc(=O)[nH]c(SCc2cc(C)ccc2C)n1 ZINC000005154774 170071361 /nfs/dbraw/zinc/07/13/61/170071361.db2.gz ZVDIBEYSGXOTRX-UHFFFAOYSA-N 0 0 288.416 3.632 10 0 CHAERN CC(C)(C)CC(C)(C)n1nnc(-c2ccccc2)n1 ZINC000005283949 170082798 /nfs/dbraw/zinc/08/27/98/170082798.db2.gz NMXNDPDBPKLEOG-UHFFFAOYSA-N 0 0 258.369 3.511 10 0 CHAERN COc1ccc2c(c1)nc(SC)n2Cc1ccccc1 ZINC000005285680 170083213 /nfs/dbraw/zinc/08/32/13/170083213.db2.gz AUQLKEDOIFQRRU-UHFFFAOYSA-N 0 0 284.384 3.815 10 0 CHAERN O=[S@](CCc1ccncc1)c1ccc2ccccc2c1 ZINC000005332366 170086526 /nfs/dbraw/zinc/08/65/26/170086526.db2.gz UOEWRBMGMHVNAO-FQEVSTJZSA-N 0 0 281.380 3.585 10 0 CHAERN CC(=O)n1nc(-c2ccccc2)n(-c2ccccc2)c1=S ZINC000005495858 170104509 /nfs/dbraw/zinc/10/45/09/170104509.db2.gz YRNCACACIVEGFI-UHFFFAOYSA-N 0 0 295.367 3.730 10 0 CHAERN CCC[C@H]1CC[C@@H](c2cc(OC)c(OC)c(OC)c2)O1 ZINC000005842999 170146577 /nfs/dbraw/zinc/14/65/77/170146577.db2.gz LEXNQFMZOCFPDH-STQMWFEESA-N 0 0 280.364 3.733 10 0 in-vitro CHAERN CC(C)CCNC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005907390 170153475 /nfs/dbraw/zinc/15/34/75/170153475.db2.gz RWFYVUNQSNRONO-JXMROGBWSA-N 0 0 259.393 3.986 10 0 CHAERN CCC(=O)c1ccc(OC(=O)Nc2ccccc2)cc1 ZINC000005950827 170160891 /nfs/dbraw/zinc/16/08/91/170160891.db2.gz MKPXKVQMIYKTMN-UHFFFAOYSA-N 0 0 269.300 3.890 10 0 CHAERN CCOc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)cc1 ZINC000005959014 170162822 /nfs/dbraw/zinc/16/28/22/170162822.db2.gz ZQLOGDUZMJWOHI-XGICHPGQSA-N 0 0 285.318 3.876 10 0 CHAERN CC(C)OC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000005963058 170163475 /nfs/dbraw/zinc/16/34/75/170163475.db2.gz INORZYDFTQPNEU-UHFFFAOYSA-N 0 0 299.754 3.862 10 0 CHAERN O[C@@H](c1nc2ccccc2o1)c1c(F)cccc1Cl ZINC000006118712 170177037 /nfs/dbraw/zinc/17/70/37/170177037.db2.gz VVNXWNHZASBRLV-CYBMUJFWSA-N 0 0 277.682 3.702 10 0 CHAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000006301855 170189447 /nfs/dbraw/zinc/18/94/47/170189447.db2.gz BOSNKXCBFYMBOC-ZRDIBKRKSA-N 0 0 255.292 3.868 10 0 CHAERN COc1ccccc1C(=O)Nc1ccccc1-n1cccc1 ZINC000006389342 170197297 /nfs/dbraw/zinc/19/72/97/170197297.db2.gz IGBZZMOBHMVMNQ-UHFFFAOYSA-N 0 0 292.338 3.738 10 0 CHAERN Cc1cccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 ZINC000006523093 170209461 /nfs/dbraw/zinc/20/94/61/170209461.db2.gz DWMJYCHCOHSKPR-UHFFFAOYSA-N 0 0 296.370 3.842 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000007214579 170271756 /nfs/dbraw/zinc/27/17/56/170271756.db2.gz NBQOQSGELRSQJT-CQSZACIVSA-N 0 0 287.746 3.594 10 0 CHAERN CCc1ccc(-c2nc(NCCOC)sc2C)cc1 ZINC000007843629 170304535 /nfs/dbraw/zinc/30/45/35/170304535.db2.gz LVWGGGVEECZJTL-UHFFFAOYSA-N 0 0 276.405 3.739 10 0 CHAERN CC[C@H](C)c1ccccc1C(=O)NCc1ccco1 ZINC000008215111 170324689 /nfs/dbraw/zinc/32/46/89/170324689.db2.gz KXDKBWGMNPTMKW-LBPRGKRZSA-N 0 0 257.333 3.723 10 0 CHAERN Cc1ccccc1/C=C/C(=O)Nc1cccc(F)c1 ZINC000008287750 170329226 /nfs/dbraw/zinc/32/92/26/170329226.db2.gz GVURUFPJPMHUHT-MDZDMXLPSA-N 0 0 255.292 3.786 10 0 CHAERN Cc1cccc(/C=C/C(=O)Nc2ccccc2F)c1 ZINC000008289170 170329312 /nfs/dbraw/zinc/32/93/12/170329312.db2.gz FEAQXVGLXSHJCU-MDZDMXLPSA-N 0 0 255.292 3.786 10 0 CHAERN Cc1ccnc2c(OCc3cn4ccccc4n3)cccc12 ZINC000008416602 170335657 /nfs/dbraw/zinc/33/56/57/170335657.db2.gz SAXUOVWPAUQMPP-UHFFFAOYSA-N 0 0 289.338 3.770 10 0 CHAERN COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000008474142 170337323 /nfs/dbraw/zinc/33/73/23/170337323.db2.gz FJNKXTXTYNUEIK-HNNXBMFYSA-N 0 0 286.762 3.787 10 0 CHAERN Cc1nc2ccc(F)cc2cc1C(=O)N1CCC(C)CC1 ZINC000008548371 170339663 /nfs/dbraw/zinc/33/96/63/170339663.db2.gz MVVGAFGIJSSNQR-UHFFFAOYSA-N 0 0 286.350 3.554 10 0 CHAERN CC[C@@H](C)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009269870 170369719 /nfs/dbraw/zinc/36/97/19/170369719.db2.gz ZSSVWYPJEGLBKX-GFCCVEGCSA-N 0 0 295.338 3.665 10 0 CHAERN CC(C)(C)c1ccc2oc(=O)n(C(=O)c3ccccc3)c2c1 ZINC000009528540 170380857 /nfs/dbraw/zinc/38/08/57/170380857.db2.gz HVDFQUNMCSRMHM-UHFFFAOYSA-N 0 0 295.338 3.581 10 0 CHAERN CC(C)[C@@H]1CNc2cc(Br)ccc2C1 ZINC000011633321 170429675 /nfs/dbraw/zinc/42/96/75/170429675.db2.gz SDRVCTZGZCDPKS-JTQLQIEISA-N 0 0 254.171 3.689 10 0 CHAERN Fc1cc2c(Cl)c3c(nc2c(F)c1F)CCC3 ZINC000011763992 170439826 /nfs/dbraw/zinc/43/98/26/170439826.db2.gz HOVBIAVBCNPRHF-UHFFFAOYSA-N 0 0 257.642 3.794 10 0 CHAERN CCOc1cc(/C=C/c2ccncc2)ccc1OC(=O)CC ZINC000011858410 170448966 /nfs/dbraw/zinc/44/89/66/170448966.db2.gz GFADSEWWCGEGBH-AATRIKPKSA-N 0 0 297.354 3.966 10 0 CHAERN Cc1cccc(Oc2ccc(C(N)=S)cc2)c1C ZINC000011993266 170465461 /nfs/dbraw/zinc/46/54/61/170465461.db2.gz VKPAUOCSZYOWIX-UHFFFAOYSA-N 0 0 257.358 3.730 10 0 CHAERN COc1cc(-c2ccccc2)nc2nc(C)ccc12 ZINC000013579503 170565200 /nfs/dbraw/zinc/56/52/00/170565200.db2.gz YCKHYNHAPZIJKJ-UHFFFAOYSA-N 0 0 250.301 3.614 10 0 CHAERN COc1ccc(-c2[nH]c3cc(F)ccc3c2C=O)cc1 ZINC000013782183 170593607 /nfs/dbraw/zinc/59/36/07/170593607.db2.gz USEGBRVIIAQMOS-UHFFFAOYSA-N 0 0 269.275 3.795 10 0 CHAERN CCCCCC(=O)NC(=S)Nc1ccc(C)cc1C ZINC000014040337 170617470 /nfs/dbraw/zinc/61/74/70/170617470.db2.gz AHGBTHYGSDGBSF-UHFFFAOYSA-N 0 0 278.421 3.697 10 0 CHAERN CCCOC(=O)c1ccc(OC(=O)c2cccs2)cc1 ZINC000014777344 170644869 /nfs/dbraw/zinc/64/48/69/170644869.db2.gz VWNOBDWJMAQBRN-UHFFFAOYSA-N 0 0 290.340 3.534 10 0 CHAERN O=C(Nc1cc(F)ccc1F)c1cc2ccccc2[nH]1 ZINC000014796243 170645482 /nfs/dbraw/zinc/64/54/82/170645482.db2.gz YRZNAAYWNWGBQF-UHFFFAOYSA-N 0 0 272.254 3.698 10 0 CHAERN O=c1[nH]c2c(c3c1CCc1ccccc1-3)CCc1ccccc1-2 ZINC000016524042 170700940 /nfs/dbraw/zinc/70/09/40/170700940.db2.gz XBIOFCWTFLLYDG-UHFFFAOYSA-N 0 0 299.373 3.906 10 0 CHAERN CCOc1ccc(OCC)c(NC[C@@H](C)CC)c1 ZINC000019232552 170757747 /nfs/dbraw/zinc/75/77/47/170757747.db2.gz BVCVLQQQNFLIPE-LBPRGKRZSA-N 0 0 251.370 3.942 10 0 CHAERN Cc1c(N)cccc1NC(=O)CCOC1CCC(C)CC1 ZINC000019386245 170779357 /nfs/dbraw/zinc/77/93/57/170779357.db2.gz MMUUXUZCDKGQQQ-UHFFFAOYSA-N 0 0 290.407 3.501 10 0 CHAERN Cc1c(N)cccc1C(=O)Nc1cccc2c1CCCC2 ZINC000019395350 170782570 /nfs/dbraw/zinc/78/25/70/170782570.db2.gz FDLCALHNLFYMAP-UHFFFAOYSA-N 0 0 280.371 3.708 10 0 CHAERN CC(=O)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019410156 170789034 /nfs/dbraw/zinc/78/90/34/170789034.db2.gz WOTZWRBPQWOVPE-UHFFFAOYSA-N 0 0 280.538 3.564 10 0 CHAERN Cc1cccc(NC(=O)[C@H]2C[C@H](C)Nc3ccccc32)c1 ZINC000019436871 170800282 /nfs/dbraw/zinc/80/02/82/170800282.db2.gz JKBXINJWYJFDPZ-BBRMVZONSA-N 0 0 280.371 3.921 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N(C)c2ccccc2)c2ccccc2N1 ZINC000019802421 170871327 /nfs/dbraw/zinc/87/13/27/170871327.db2.gz NUGUDBCPRQBQDE-XJKSGUPXSA-N 0 0 280.371 3.637 10 0 CHAERN CC[C@H](C)c1ccccc1OCCCC(N)=S ZINC000019806157 170875145 /nfs/dbraw/zinc/87/51/45/170875145.db2.gz PDTJEAFLPHRANI-NSHDSACASA-N 0 0 251.395 3.645 10 0 CHAERN Nc1ccc2oc(-c3cc4ccccc4o3)nc2c1 ZINC000019807255 170876145 /nfs/dbraw/zinc/87/61/45/170876145.db2.gz UJANDZCNQOMODN-UHFFFAOYSA-N 0 0 250.257 3.823 10 0 CHAERN Nc1cc(Cl)ccc1SCC(=O)Nc1ccccc1 ZINC000019815400 170880710 /nfs/dbraw/zinc/88/07/10/170880710.db2.gz CPTJCKQCEQBCJE-UHFFFAOYSA-N 0 0 292.791 3.653 10 0 CHAERN Nc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000019835097 170884322 /nfs/dbraw/zinc/88/43/22/170884322.db2.gz LIPSWZIANMUYHH-UHFFFAOYSA-N 0 0 286.400 3.852 10 0 CHAERN CC(=O)Nc1ccccc1Oc1ccc(F)cc1C(C)=O ZINC000019871571 170902123 /nfs/dbraw/zinc/90/21/23/170902123.db2.gz IOIIMEYYXUXJAP-UHFFFAOYSA-N 0 0 287.290 3.779 10 0 CHAERN C[C@H](Nc1ccc(Br)cc1F)C1CC1 ZINC000019908003 170920125 /nfs/dbraw/zinc/92/01/25/170920125.db2.gz NVLOUAHAACJANG-ZETCQYMHSA-N 0 0 258.134 3.799 10 0 CHAERN Fc1ccc(F)c(NCc2ccc(Br)o2)c1 ZINC000019907789 170920180 /nfs/dbraw/zinc/92/01/80/170920180.db2.gz XBRCVQDDBSAFPI-UHFFFAOYSA-N 0 0 288.091 3.932 10 0 CHAERN COc1ccc(C)cc1N[C@@H](C)c1cccc(O)c1 ZINC000019914474 170924502 /nfs/dbraw/zinc/92/45/02/170924502.db2.gz JSKVPSKMAHATPN-LBPRGKRZSA-N 0 0 257.333 3.882 10 0 CHAERN CNC(=O)c1cccc(N[C@H]2CCCc3ccccc32)c1 ZINC000020124739 171007222 /nfs/dbraw/zinc/00/72/22/171007222.db2.gz RDXLMUUDPVTURP-KRWDZBQOSA-N 0 0 280.371 3.536 10 0 CHAERN O=C1CCCN1c1ccccc1NC1CCCCC1 ZINC000020147448 171034118 /nfs/dbraw/zinc/03/41/18/171034118.db2.gz ORAHJGCDGFEWKL-UHFFFAOYSA-N 0 0 258.365 3.558 10 0 CHAERN CC(C)CC[C@H](C)Nc1ccc(-c2nnco2)cc1 ZINC000020187029 171051410 /nfs/dbraw/zinc/05/14/10/171051410.db2.gz TVFBLMTYOLMDLI-LBPRGKRZSA-N 0 0 259.353 3.973 10 0 CHAERN CC(C)CC[C@@H](C)Nc1ccc(-c2nnco2)cc1 ZINC000020187027 171051514 /nfs/dbraw/zinc/05/15/14/171051514.db2.gz TVFBLMTYOLMDLI-GFCCVEGCSA-N 0 0 259.353 3.973 10 0 CHAERN c1nnc(-c2ccc(NC[C@H]3CC=CCC3)cc2)o1 ZINC000020187053 171051679 /nfs/dbraw/zinc/05/16/79/171051679.db2.gz WCTMVNQYBRYBHR-LBPRGKRZSA-N 0 0 255.321 3.505 10 0 CHAERN Nc1cc(Cl)ccc1SCc1cscn1 ZINC000020254164 171107465 /nfs/dbraw/zinc/10/74/65/171107465.db2.gz QIOPYXRTMHOMEQ-UHFFFAOYSA-N 0 0 256.783 3.671 10 0 CHAERN Nc1cc(Br)ccc1N1CCCCCCC1 ZINC000020264897 171122210 /nfs/dbraw/zinc/12/22/10/171122210.db2.gz MILQYLRHMDCNFC-UHFFFAOYSA-N 0 0 283.213 3.802 10 0 CHAERN Cc1cccc(-n2nc(-c3ccccc3C)cc2N)c1 ZINC000020284980 171133681 /nfs/dbraw/zinc/13/36/81/171133681.db2.gz VFNMXXSSXJHMNI-UHFFFAOYSA-N 0 0 263.344 3.738 10 0 CHAERN Nc1cc(Cl)cc(Cl)c1OCC(F)(F)F ZINC000020348952 171154530 /nfs/dbraw/zinc/15/45/30/171154530.db2.gz RFBYLKXHIXLEQD-UHFFFAOYSA-N 0 0 260.042 3.517 10 0 CHAERN Fc1ccc(NCc2ccn(C3CCCC3)n2)c(F)c1 ZINC000020350598 171155077 /nfs/dbraw/zinc/15/50/77/171155077.db2.gz QAWTVNBRBGBUMC-UHFFFAOYSA-N 0 0 277.318 3.889 10 0 CHAERN Nc1cc(C(F)(F)F)ccc1OCCc1cccs1 ZINC000020352067 171156132 /nfs/dbraw/zinc/15/61/32/171156132.db2.gz LWBNHKKSPFOKKF-UHFFFAOYSA-N 0 0 287.306 3.971 10 0 CHAERN CCCCCNC(=O)[C@H](C)Nc1cccc(SC)c1 ZINC000020365035 171163602 /nfs/dbraw/zinc/16/36/02/171163602.db2.gz FCCWHAHSXAJXJY-LBPRGKRZSA-N 0 0 280.437 3.515 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000020366392 171165415 /nfs/dbraw/zinc/16/54/15/171165415.db2.gz YYMQLPFZKGDNHG-BDAKNGLRSA-N 0 0 289.206 3.709 10 0 CHAERN CCCCCNC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020367530 171165735 /nfs/dbraw/zinc/16/57/35/171165735.db2.gz AAHROCVXDXTLAZ-GFCCVEGCSA-N 0 0 280.437 3.515 10 0 CHAERN CCC(CC)NC(=O)[C@@H](C)Nc1ccc(SC)cc1 ZINC000020367547 171165974 /nfs/dbraw/zinc/16/59/74/171165974.db2.gz QSABZHKWORYUEJ-LLVKDONJSA-N 0 0 280.437 3.514 10 0 CHAERN CC[C@@H](C)NC(=O)[C@H](C)Nc1ccccc1C(C)C ZINC000020368014 171166421 /nfs/dbraw/zinc/16/64/21/171166421.db2.gz DWRVQVBDOIFHFM-OLZOCXBDSA-N 0 0 262.397 3.525 10 0 CHAERN Cc1cc(C)c(-n2c(=O)c3ccccc3[nH]c2=S)c(C)c1 ZINC000020368543 171167217 /nfs/dbraw/zinc/16/72/17/171167217.db2.gz UZECNJJPIWVIPJ-UHFFFAOYSA-N 0 0 296.395 3.974 10 0 CHAERN Nc1cccnc1NCCc1ccc(Cl)cc1Cl ZINC000020383229 171173271 /nfs/dbraw/zinc/17/32/71/171173271.db2.gz KWSHBMCIDNUGDN-UHFFFAOYSA-N 0 0 282.174 3.625 10 0 CHAERN COc1ccccc1CNc1ccc(N)cc1Cl ZINC000020382235 171173379 /nfs/dbraw/zinc/17/33/79/171173379.db2.gz UWEJWCSASGBUAI-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN CCNC(=O)[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420186 171186093 /nfs/dbraw/zinc/18/60/93/171186093.db2.gz IZFGVDGJXDUMPC-ZCFIWIBFSA-N 0 0 295.597 3.583 10 0 CHAERN CCc1nnc(SC2CCCC2)n1-c1ccccc1 ZINC000020427799 171193686 /nfs/dbraw/zinc/19/36/86/171193686.db2.gz AHKLUJAJCWCUTK-UHFFFAOYSA-N 0 0 273.405 3.864 10 0 CHAERN OCc1c(Cl)cccc1Oc1cccc(F)c1 ZINC000020435409 171201464 /nfs/dbraw/zinc/20/14/64/171201464.db2.gz CCQCXIOALRRECH-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN OCc1ccccc1Oc1ccc(F)cc1Br ZINC000020435279 171201511 /nfs/dbraw/zinc/20/15/11/171201511.db2.gz CMDWDXPVWIJTPG-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN OCc1cccc2c1ccn2Cc1ccc(Cl)cc1 ZINC000020436707 171201696 /nfs/dbraw/zinc/20/16/96/171201696.db2.gz YPHHZUASAOLUIS-UHFFFAOYSA-N 0 0 271.747 3.835 10 0 CHAERN CCCOc1ccc(OCc2ccccc2N)cc1 ZINC000020473860 171218078 /nfs/dbraw/zinc/21/80/78/171218078.db2.gz BZRFHQKPCUUFLB-UHFFFAOYSA-N 0 0 257.333 3.637 10 0 CHAERN CCC(CC)Nc1ccccc1I ZINC000020480074 171221973 /nfs/dbraw/zinc/22/19/73/171221973.db2.gz PIGGJBWHBCGTIZ-UHFFFAOYSA-N 0 0 289.160 3.892 10 0 CHAERN CCCC[C@H](CC)C(=O)Nc1ccc(F)cc1N ZINC000020481670 171222355 /nfs/dbraw/zinc/22/23/55/171222355.db2.gz CEWIALMPSRPZAH-JTQLQIEISA-N 0 0 252.333 3.563 10 0 CHAERN CCCC[C@H](CC)C(=O)Nc1cc(N)ccc1F ZINC000020481666 171222387 /nfs/dbraw/zinc/22/23/87/171222387.db2.gz MXLDDAMMHCMKPB-JTQLQIEISA-N 0 0 252.333 3.563 10 0 CHAERN C[C@H]1CCC[C@@H](Oc2cccc(Cl)c2CO)C1 ZINC000020517485 171233330 /nfs/dbraw/zinc/23/33/30/171233330.db2.gz MYQQQWTXZHOMNQ-WDEREUQCSA-N 0 0 254.757 3.790 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cncc(Cl)n1 ZINC000020555651 171249782 /nfs/dbraw/zinc/24/97/82/171249782.db2.gz NLISVPPENUJPTC-WOPDTQHZSA-N 0 0 268.788 3.970 10 0 CHAERN CC[C@H]1CCCC[C@H]1OCc1ccc(C(N)=S)cc1F ZINC000020562295 171252417 /nfs/dbraw/zinc/25/24/17/171252417.db2.gz UELWBPCZQOQEBK-XHDPSFHLSA-N 0 0 295.423 3.945 10 0 CHAERN CC[C@@H](c1ccc(Br)cc1)n1ncc(C)c1N ZINC000020579193 171256851 /nfs/dbraw/zinc/25/68/51/171256851.db2.gz OPOFSGZHKYNQMJ-LBPRGKRZSA-N 0 0 294.196 3.536 10 0 CHAERN Cc1ccc(Cl)cc1N1C(=S)N=NC1C(C)C ZINC000020588516 171260103 /nfs/dbraw/zinc/26/01/03/171260103.db2.gz CDGFCYUWUPZHFN-UHFFFAOYSA-N 0 0 267.785 3.641 10 0 CHAERN CC(C)[C@@H](C)N1C(=S)N=NC1c1cccs1 ZINC000020591274 171261311 /nfs/dbraw/zinc/26/13/11/171261311.db2.gz VACQGPNAHSRONA-MRVPVSSYSA-N 0 0 253.396 3.512 10 0 CHAERN COc1c(Cl)cc(CNCc2ccco2)cc1Cl ZINC000020928520 171280322 /nfs/dbraw/zinc/28/03/22/171280322.db2.gz GRLAJDALDOJGLN-UHFFFAOYSA-N 0 0 286.158 3.885 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ncccc1C(N)=S ZINC000021008660 171285586 /nfs/dbraw/zinc/28/55/86/171285586.db2.gz AWLJMPHBBZKTMV-SCRDCRAPSA-N 0 0 292.448 3.555 10 0 CHAERN CN(Cc1cccc(F)c1)c1c(N)cccc1Cl ZINC000021021874 171290670 /nfs/dbraw/zinc/29/06/70/171290670.db2.gz HUHBCNRPLAUJTD-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN Cc1cc(C(=O)Nc2ccccc2F)c(C)c(F)c1F ZINC000021266730 171300522 /nfs/dbraw/zinc/30/05/22/171300522.db2.gz UACVDNWUHNHSFO-UHFFFAOYSA-N 0 0 279.261 3.973 10 0 CHAERN O=Cc1ccccc1O[C@H]1CCCc2ccccc21 ZINC000021502877 171306544 /nfs/dbraw/zinc/30/65/44/171306544.db2.gz LMNIJAOPQYBSDB-KRWDZBQOSA-N 0 0 252.313 3.956 10 0 CHAERN CCOc1ccc(OCC)c(NCCC(C)C)c1 ZINC000021514853 171311987 /nfs/dbraw/zinc/31/19/87/171311987.db2.gz DLHSGSQATWJBAY-UHFFFAOYSA-N 0 0 251.370 3.942 10 0 CHAERN COc1ccccc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000021695519 171319271 /nfs/dbraw/zinc/31/92/71/171319271.db2.gz IXYUSACPLFTYCB-UHFFFAOYSA-N 0 0 285.318 3.505 10 0 CHAERN CC[C@@H]1CCCC[C@H]1Oc1ccccc1C(N)=S ZINC000021791612 171324146 /nfs/dbraw/zinc/32/41/46/171324146.db2.gz FIXWAUXPXCDGCX-DGCLKSJQSA-N 0 0 263.406 3.668 10 0 CHAERN CN(Cc1cccc(F)c1)c1ccc(Cl)cc1N ZINC000021806686 171327854 /nfs/dbraw/zinc/32/78/54/171327854.db2.gz YSNSUBGBCXSHIO-UHFFFAOYSA-N 0 0 264.731 3.698 10 0 CHAERN C=C(c1ccccc1Br)N1CCCCCC1=O ZINC000021987458 171345509 /nfs/dbraw/zinc/34/55/09/171345509.db2.gz ZSJMXITVMNFURH-UHFFFAOYSA-N 0 0 294.192 3.822 10 0 CHAERN Cc1ccc([C@@H](O)[C@@H](C)C(=O)c2ccccc2)cc1 ZINC000021996855 171347825 /nfs/dbraw/zinc/34/78/25/171347825.db2.gz VMHIDNSPRCRSKI-GUYCJALGSA-N 0 0 254.329 3.547 10 0 CHAERN COc1cc(N)ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000022145361 171356162 /nfs/dbraw/zinc/35/61/62/171356162.db2.gz PVUXXXZMLJJPCN-UHFFFAOYSA-N 0 0 291.738 3.575 10 0 CHAERN Cc1cc(N)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000022148986 171357592 /nfs/dbraw/zinc/35/75/92/171357592.db2.gz REZCXKMQNKFGEM-UHFFFAOYSA-N 0 0 294.276 3.848 10 0 CHAERN Cc1ccc(CCCCC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171568652 335070969 /nfs/dbraw/zinc/07/09/69/335070969.db2.gz AIEDYSBCWNSWQD-HNNXBMFYSA-N 0 0 291.460 3.672 10 0 CHAERN C[C@H](Nc1cc(Cl)nc(N)n1)c1cccc(Cl)c1 ZINC000024056455 171431316 /nfs/dbraw/zinc/43/13/16/171431316.db2.gz XGEUDNNIIPMWIF-ZETCQYMHSA-N 0 0 283.162 3.539 10 0 CHAERN c1ccc(Oc2ccc(OC[C@@H]3CS3)cc2)cc1 ZINC000029335050 171594646 /nfs/dbraw/zinc/59/46/46/171594646.db2.gz PGBZUPFQJPYTHS-OAHLLOKOSA-N 0 0 258.342 3.973 10 0 CHAERN O=[N+]([O-])/C=C/c1cc2ccc(Cl)cc2nc1Cl ZINC000032099812 171696887 /nfs/dbraw/zinc/69/68/87/171696887.db2.gz PCCHCBLCCVOVDN-ONEGZZNKSA-N 0 0 269.087 3.789 10 0 CHAERN COc1cccc(NC(=O)/C=C\c2ccc(C)cc2)c1 ZINC000033330380 171784649 /nfs/dbraw/zinc/78/46/49/171784649.db2.gz PJUMBQRDRGUWBU-KHPPLWFESA-N 0 0 267.328 3.656 10 0 CHAERN COc1cccc2sc(-c3ccc(N)cc3)nc21 ZINC000034486974 171841347 /nfs/dbraw/zinc/84/13/47/171841347.db2.gz HORIRELEHQPZNU-UHFFFAOYSA-N 0 0 256.330 3.554 10 0 CHAERN COc1ccc([C@@H](O)c2cc3ccccc3o2)cc1 ZINC000034486731 171841351 /nfs/dbraw/zinc/84/13/51/171841351.db2.gz OYMSMEAFOXYCCM-MRXNPFEDSA-N 0 0 254.285 3.523 10 0 CHAERN Cc1ccc([C@@H](O)Cc2ccc(Cl)cc2)s1 ZINC000034523017 171842867 /nfs/dbraw/zinc/84/28/67/171842867.db2.gz OZRYEJRQISTSSD-LBPRGKRZSA-N 0 0 252.766 3.986 10 0 CHAERN Oc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000034962370 171906161 /nfs/dbraw/zinc/90/61/61/171906161.db2.gz VIVHINXTHYSWFH-UHFFFAOYSA-N 0 0 252.672 3.764 10 0 CHAERN COc1ccccc1Nc1ccc(Br)cc1N ZINC000034964383 171907779 /nfs/dbraw/zinc/90/77/79/171907779.db2.gz IWTCOZSHFXDNFC-UHFFFAOYSA-N 0 0 293.164 3.784 10 0 CHAERN CC(C)(C)c1[nH]nc(N)c1-c1c(F)cccc1Cl ZINC000034975831 171910293 /nfs/dbraw/zinc/91/02/93/171910293.db2.gz FQBRVLZZYBADLC-UHFFFAOYSA-N 0 0 267.735 3.749 10 0 CHAERN Cc1nc2ccccc2n1CC(=O)c1cccc(Cl)c1 ZINC000034979815 171912048 /nfs/dbraw/zinc/91/20/48/171912048.db2.gz ULCSZHYOFDXVOA-UHFFFAOYSA-N 0 0 284.746 3.881 10 0 CHAERN CCN(CC)C(=O)c1cc(N[C@@H]2CCCC[C@@H]2C)ccn1 ZINC000035121351 171991255 /nfs/dbraw/zinc/99/12/55/171991255.db2.gz CZDFWGMUJFKEJN-DZGCQCFKSA-N 0 0 289.423 3.554 10 0 CHAERN C[C@H]1Cc2ccccc2N1C(=O)c1c[nH]c2ccccc12 ZINC000035134726 172001656 /nfs/dbraw/zinc/00/16/56/172001656.db2.gz QPCIHDYAPBAFGN-LBPRGKRZSA-N 0 0 276.339 3.759 10 0 CHAERN C[C@H](Nc1c(F)c(F)c(F)c(F)c1F)C1CC1 ZINC000035135045 172002127 /nfs/dbraw/zinc/00/21/27/172002127.db2.gz WJVMZELGLXLVEM-BYPYZUCNSA-N 0 0 251.198 3.593 10 0 CHAERN CCCN(Cc1ccccc1)C(=O)c1cccc(C)c1N ZINC000035141140 172008898 /nfs/dbraw/zinc/00/88/98/172008898.db2.gz QCKKWYXVNNJGGM-UHFFFAOYSA-N 0 0 282.387 3.630 10 0 CHAERN Clc1ccc(NC[C@H]2CCCCO2)cc1Cl ZINC000035150715 172013874 /nfs/dbraw/zinc/01/38/74/172013874.db2.gz NCCBXNAYOHFJJU-SNVBAGLBSA-N 0 0 260.164 3.974 10 0 CHAERN COc1cccc(O[C@H](C)C(=O)c2ccc(Cl)cc2)c1 ZINC000035182808 172036040 /nfs/dbraw/zinc/03/60/40/172036040.db2.gz VAHLTOBFZIIYQJ-LLVKDONJSA-N 0 0 290.746 3.999 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000035183648 172036571 /nfs/dbraw/zinc/03/65/71/172036571.db2.gz UCEXIFHJJSSORH-UHFFFAOYSA-N 0 0 262.255 3.535 10 0 CHAERN Cc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000035183672 172036618 /nfs/dbraw/zinc/03/66/18/172036618.db2.gz OHDPWXWMAXRPCC-UHFFFAOYSA-N 0 0 260.720 3.910 10 0 CHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2)cc1C ZINC000035183906 172037210 /nfs/dbraw/zinc/03/72/10/172037210.db2.gz OIFPGHMLJPBYJW-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN Cc1ccc(C)c(C(=O)[C@@H](C)Oc2ccccc2)c1 ZINC000035183904 172037311 /nfs/dbraw/zinc/03/73/11/172037311.db2.gz JTRPYCHOCZXIFU-CQSZACIVSA-N 0 0 254.329 3.954 10 0 CHAERN COc1cc(OC)cc(Oc2ccccc2C(C)=O)c1 ZINC000035217008 172057643 /nfs/dbraw/zinc/05/76/43/172057643.db2.gz VXKSZEIINOZNOC-UHFFFAOYSA-N 0 0 272.300 3.699 10 0 CHAERN CCCCCCNC(=O)c1cc(C)nc2ccc(F)cc21 ZINC000035218990 172060049 /nfs/dbraw/zinc/06/00/49/172060049.db2.gz GAKMOCKQHVFYRU-UHFFFAOYSA-N 0 0 288.366 3.992 10 0 CHAERN CSc1cccc(Nc2nsnc2Cl)c1 ZINC000035232136 172072066 /nfs/dbraw/zinc/07/20/66/172072066.db2.gz FJNMYDVSHASWPJ-UHFFFAOYSA-N 0 0 257.771 3.657 10 0 CHAERN Cc1cc(Nc2ccccc2OC(F)F)ccc1N ZINC000035278172 172097295 /nfs/dbraw/zinc/09/72/95/172097295.db2.gz VMMBBOKUSNYWNF-UHFFFAOYSA-N 0 0 264.275 3.922 10 0 CHAERN Cc1c(N)cccc1OCc1ccc(Cl)s1 ZINC000035283103 172101296 /nfs/dbraw/zinc/10/12/96/172101296.db2.gz LLWBTRXFPSMIHG-UHFFFAOYSA-N 0 0 253.754 3.871 10 0 CHAERN Cc1c(N)cccc1OCc1ccc(Br)cc1 ZINC000035283173 172101369 /nfs/dbraw/zinc/10/13/69/172101369.db2.gz AKAAPGLSANJCSN-UHFFFAOYSA-N 0 0 292.176 3.919 10 0 CHAERN Oc1cccc(OCc2ccc(Br)cc2F)c1 ZINC000035285133 172103440 /nfs/dbraw/zinc/10/34/40/172103440.db2.gz RWRZKPCUAYKTPT-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN [NH3+][C@H](CCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000035324516 172126717 /nfs/dbraw/zinc/12/67/17/172126717.db2.gz WYFGUTXDUVESKO-LLVKDONJSA-N 0 0 276.163 3.638 10 0 CHAERN CC[C@@H](N[C@H](C(=O)OC)C(C)C)c1cccc(Cl)c1 ZINC000035346495 172139140 /nfs/dbraw/zinc/13/91/40/172139140.db2.gz PAHOMIGJOAHNAK-KGLIPLIRSA-N 0 0 283.799 3.578 10 0 CHAERN COc1ccc(Br)cc1C(=O)c1ccc(C)o1 ZINC000035369355 172160765 /nfs/dbraw/zinc/16/07/65/172160765.db2.gz ZZNBRMCLHYECEF-UHFFFAOYSA-N 0 0 295.132 3.590 10 0 CHAERN COc1ccc(C(=O)c2cccs2)cc1Cl ZINC000035369333 172160936 /nfs/dbraw/zinc/16/09/36/172160936.db2.gz AENIQQAHTDEROD-UHFFFAOYSA-N 0 0 252.722 3.641 10 0 CHAERN COc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1F ZINC000035423844 172192834 /nfs/dbraw/zinc/19/28/34/172192834.db2.gz AGPPGXLAOPFVBP-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN CCc1ccc(Oc2nc3sccn3c2C=O)cc1 ZINC000035428540 172196667 /nfs/dbraw/zinc/19/66/67/172196667.db2.gz AXIJJQUZVPMMHA-UHFFFAOYSA-N 0 0 272.329 3.563 10 0 CHAERN Cc1ccc(Cl)c(Oc2nc3sccn3c2CO)c1 ZINC000035429521 172197522 /nfs/dbraw/zinc/19/75/22/172197522.db2.gz XHBNJDKZOUHJRZ-UHFFFAOYSA-N 0 0 294.763 3.642 10 0 CHAERN CN[C@@H](c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000035463972 172211374 /nfs/dbraw/zinc/21/13/74/172211374.db2.gz YBGYSMKCQJTJEA-AWEZNQCLSA-N 0 0 267.706 3.927 10 0 CHAERN CN[C@H](c1ccc(Cl)s1)c1c(F)cccc1F ZINC000035498285 172231933 /nfs/dbraw/zinc/23/19/33/172231933.db2.gz VFKBNOBWYXICCG-GFCCVEGCSA-N 0 0 273.735 3.989 10 0 CHAERN CCN[C@@H](c1ccc(C)cc1)C(F)(F)C(F)(F)F ZINC000035540954 172248196 /nfs/dbraw/zinc/24/81/96/172248196.db2.gz LLBOWXJBSYMOHU-JTQLQIEISA-N 0 0 267.241 3.843 10 0 CHAERN C[C@@H](O)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000035626364 172305806 /nfs/dbraw/zinc/30/58/06/172305806.db2.gz UKLBFVFAGQACSC-LLVKDONJSA-N 0 0 262.736 3.972 10 0 CHAERN C[C@H](O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000035627827 172307058 /nfs/dbraw/zinc/30/70/58/172307058.db2.gz NNJKTGPVMBJUCS-NSHDSACASA-N 0 0 262.736 3.972 10 0 CHAERN C[C@@H](O)c1ccc(N(C)Cc2ccccc2)c(F)c1 ZINC000035631208 172313103 /nfs/dbraw/zinc/31/31/03/172313103.db2.gz VTXYHQUWXCSREF-GFCCVEGCSA-N 0 0 259.324 3.515 10 0 CHAERN COc1cccc(OC)c1Oc1ccc([C@@H](C)O)cc1F ZINC000035631999 172314322 /nfs/dbraw/zinc/31/43/22/172314322.db2.gz HYWMMQIAXOAZGK-SNVBAGLBSA-N 0 0 292.306 3.689 10 0 CHAERN COc1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035632373 172314799 /nfs/dbraw/zinc/31/47/99/172314799.db2.gz YPYBCEXJHAEUCJ-SNVBAGLBSA-N 0 0 262.280 3.680 10 0 CHAERN C[C@@H](O)c1ccccc1NC(=O)c1ccccc1Cl ZINC000035646967 172323171 /nfs/dbraw/zinc/32/31/71/172323171.db2.gz ANXRRYKXUXEBJC-SNVBAGLBSA-N 0 0 275.735 3.646 10 0 CHAERN Cc1cccc2c1ccn2Cc1cccc(N)c1C ZINC000035649311 172325588 /nfs/dbraw/zinc/32/55/88/172325588.db2.gz TWIVXYUFCATDOO-UHFFFAOYSA-N 0 0 250.345 3.889 10 0 CHAERN OCCCCOc1ccc2cc(Br)ccc2c1 ZINC000035650256 172326225 /nfs/dbraw/zinc/32/62/25/172326225.db2.gz XWYHABGIDLTJFR-UHFFFAOYSA-N 0 0 295.176 3.754 10 0 CHAERN Nc1ccc(O)c(CSc2cc(F)ccc2F)c1 ZINC000035676211 172346623 /nfs/dbraw/zinc/34/66/23/172346623.db2.gz VWNHFQFJZFPGFA-UHFFFAOYSA-N 0 0 267.300 3.545 10 0 CHAERN C[C@H](Nc1nccc2sccc21)c1ccncc1 ZINC000035693721 172362006 /nfs/dbraw/zinc/36/20/06/172362006.db2.gz AJROQJVBORLARJ-JTQLQIEISA-N 0 0 255.346 3.864 10 0 CHAERN C[C@H](Nc1ccc(Br)cc1N)c1ccncc1 ZINC000035693223 172362360 /nfs/dbraw/zinc/36/23/60/172362360.db2.gz HRYPCLHYCZPGAH-VIFPVBQESA-N 0 0 292.180 3.599 10 0 CHAERN C[C@H](O)c1c(F)cccc1N(C)Cc1cccs1 ZINC000035717886 172372518 /nfs/dbraw/zinc/37/25/18/172372518.db2.gz JEMOQKRDVRVFKS-JTQLQIEISA-N 0 0 265.353 3.577 10 0 CHAERN CN(Cc1ccsc1)c1ccc2scnc2c1N ZINC000035718653 172373146 /nfs/dbraw/zinc/37/31/46/172373146.db2.gz DUHOONUNAGZXAN-UHFFFAOYSA-N 0 0 275.402 3.576 10 0 CHAERN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccco1 ZINC000035738809 172392809 /nfs/dbraw/zinc/39/28/09/172392809.db2.gz DOLCZTXHBZTWRN-NXEZZACHSA-N 0 0 251.276 3.970 10 0 CHAERN CCOC(=O)N1CCc2ccccc2[C@H]1c1ccccc1F ZINC000036113811 172444489 /nfs/dbraw/zinc/44/44/89/172444489.db2.gz PIMZYUSUEZAQLX-KRWDZBQOSA-N 0 0 299.345 3.930 10 0 CHAERN Nc1cnc(NCCC2=CCCCC2)c(Br)c1 ZINC000036244946 172544286 /nfs/dbraw/zinc/54/42/86/172544286.db2.gz KCXDANRBGDRYRR-UHFFFAOYSA-N 0 0 296.212 3.729 10 0 CHAERN Nc1cnc(Oc2ccc(Cl)cc2)c(Br)c1 ZINC000036251814 172545610 /nfs/dbraw/zinc/54/56/10/172545610.db2.gz FBMFKAJNMNPREV-UHFFFAOYSA-N 0 0 299.555 3.872 10 0 CHAERN Cc1nc(Oc2ccc(Br)cc2)ccc1N ZINC000036251896 172545912 /nfs/dbraw/zinc/54/59/12/172545912.db2.gz IHVZNLJOVTXHFF-UHFFFAOYSA-N 0 0 279.137 3.527 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(NC2CCOCC2)c1 ZINC000036303754 172597787 /nfs/dbraw/zinc/59/77/87/172597787.db2.gz KXVXTZCHUICVEQ-UHFFFAOYSA-N 0 0 279.689 3.950 10 0 CHAERN CCOC(=O)CCOc1ccc(C)cc1C(C)(C)C ZINC000036670995 172648090 /nfs/dbraw/zinc/64/80/90/172648090.db2.gz XRVRYSPNAYYIJV-UHFFFAOYSA-N 0 0 264.365 3.625 10 0 CHAERN C[C@H]1C[C@H]1c1noc(N)c1-c1ccc(Br)cc1 ZINC000036936670 172815819 /nfs/dbraw/zinc/81/58/19/172815819.db2.gz JZXQCGVMRDWMHH-OIBJUYFYSA-N 0 0 293.164 3.810 10 0 CHAERN C[C@@H]1C[C@H]1c1nn(C)c(N)c1-c1c(F)cccc1Cl ZINC000036937584 172815878 /nfs/dbraw/zinc/81/58/78/172815878.db2.gz NXEPWWVTHHQNNL-HTQZYQBOSA-N 0 0 279.746 3.585 10 0 CHAERN Nc1cc(Cl)ccc1SC[C@@H]1COC2(CCCC2)O1 ZINC000037037186 172904506 /nfs/dbraw/zinc/90/45/06/172904506.db2.gz OBCXKUCEDRZSTI-NSHDSACASA-N 0 0 299.823 3.700 10 0 CHAERN COc1ccc([C@H](C)Nc2ccccc2N(C)C)cc1 ZINC000037086230 172943421 /nfs/dbraw/zinc/94/34/21/172943421.db2.gz LIWXODTVTZSEAE-ZDUSSCGKSA-N 0 0 270.376 3.934 10 0 CHAERN Nc1cccc(Cl)c1SCc1nccn1C(F)F ZINC000037195424 173024367 /nfs/dbraw/zinc/02/43/67/173024367.db2.gz SXDLYZHSFBWYPP-UHFFFAOYSA-N 0 0 289.738 3.806 10 0 CHAERN CC(C)c1cc(N)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000037291257 173096582 /nfs/dbraw/zinc/09/65/82/173096582.db2.gz KAIUALOJZSYVNL-UHFFFAOYSA-N 0 0 269.270 3.597 10 0 CHAERN C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)C1CCCCC1 ZINC000037295476 173099320 /nfs/dbraw/zinc/09/93/20/173099320.db2.gz AEUFMTVNCMYZSX-SNVBAGLBSA-N 0 0 280.799 3.820 10 0 CHAERN c1ccc2oc(-c3ccc4c(c3)CCCN4)nc2c1 ZINC000037322915 173123432 /nfs/dbraw/zinc/12/34/32/173123432.db2.gz SMCXZBGTVWRMAM-UHFFFAOYSA-N 0 0 250.301 3.853 10 0 CHAERN Clc1ccc(-c2nnc3cc(Cl)ncn32)c(Cl)c1 ZINC000037325217 173125661 /nfs/dbraw/zinc/12/56/61/173125661.db2.gz QRYKTPQCSPFCJU-UHFFFAOYSA-N 0 0 299.548 3.752 10 0 CHAERN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c(Cl)c1CO ZINC000037343402 173143386 /nfs/dbraw/zinc/14/33/86/173143386.db2.gz YHRLLFIYMRYZER-UHFFFAOYSA-N 0 0 299.201 3.969 10 0 CHAERN Cn1nc(CC(C)(C)C)c(-c2ccc(Cl)cc2)c1N ZINC000037351608 173145469 /nfs/dbraw/zinc/14/54/69/173145469.db2.gz SMENXPVPRXRMEK-UHFFFAOYSA-N 0 0 277.799 3.911 10 0 CHAERN CCOc1ccccc1C(=O)c1ccc(C)cc1C ZINC000037356742 173147683 /nfs/dbraw/zinc/14/76/83/173147683.db2.gz CQMQVYDVHHJMKF-UHFFFAOYSA-N 0 0 254.329 3.933 10 0 CHAERN CCc1ccc(C(=O)c2ccc(C)c(OC)c2)cc1 ZINC000037358093 173147761 /nfs/dbraw/zinc/14/77/61/173147761.db2.gz INKPWNWDEAANQB-UHFFFAOYSA-N 0 0 254.329 3.797 10 0 CHAERN COc1ccc(C(=O)Cc2cccc(F)c2)cc1Cl ZINC000037362722 173151762 /nfs/dbraw/zinc/15/17/62/173151762.db2.gz ZVILGCLCFHBILI-UHFFFAOYSA-N 0 0 278.710 3.913 10 0 CHAERN Clc1nsnc1Nc1ccccc1Br ZINC000037372137 173161784 /nfs/dbraw/zinc/16/17/84/173161784.db2.gz DZKHLFMJGZTFGT-UHFFFAOYSA-N 0 0 290.573 3.698 10 0 CHAERN CCCOc1ccc(Oc2cccc(F)c2N)cc1 ZINC000037420288 173197673 /nfs/dbraw/zinc/19/76/73/173197673.db2.gz COBGCDTUFNBGRC-UHFFFAOYSA-N 0 0 261.296 3.989 10 0 CHAERN Nc1cc(F)ccc1-c1nc2c(cccc2Cl)[nH]1 ZINC000037443664 173212009 /nfs/dbraw/zinc/21/20/09/173212009.db2.gz QXSYJUOLNJXAKL-UHFFFAOYSA-N 0 0 261.687 3.605 10 0 CHAERN COC(=O)c1ccc(C)c(N[C@H](C)c2ccco2)c1 ZINC000037507996 173241850 /nfs/dbraw/zinc/24/18/50/173241850.db2.gz GSUYFUCGOBRZRI-LLVKDONJSA-N 0 0 259.305 3.548 10 0 CHAERN Nc1ccc(COCc2ccccc2)c(Br)c1 ZINC000037516067 173247392 /nfs/dbraw/zinc/24/73/92/173247392.db2.gz YVFSMEUZGMZDPN-UHFFFAOYSA-N 0 0 292.176 3.748 10 0 CHAERN Cc1cccc(C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532507 173253793 /nfs/dbraw/zinc/25/37/93/173253793.db2.gz QMGBPSVWRXKGHV-INIZCTEOSA-N 0 0 260.764 3.795 10 0 CHAERN O[C@@H](Cc1ccc(Cl)cc1)Cc1ccccc1F ZINC000037532652 173253921 /nfs/dbraw/zinc/25/39/21/173253921.db2.gz OJAWHGQRFWMVQZ-AWEZNQCLSA-N 0 0 264.727 3.625 10 0 CHAERN O[C@@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000037532697 173253922 /nfs/dbraw/zinc/25/39/22/173253922.db2.gz ROFNWVLAHNHWJZ-AWEZNQCLSA-N 0 0 295.151 3.864 10 0 CHAERN Cc1c2ccccc2oc1[C@H](C)Nc1ccn(C)n1 ZINC000037560614 173270345 /nfs/dbraw/zinc/27/03/45/173270345.db2.gz BQUJJOYAQNAGBG-NSHDSACASA-N 0 0 255.321 3.648 10 0 CHAERN CCOC(=O)CN[C@H](CC)c1ccc(Cl)cc1Cl ZINC000037563777 173511038 /nfs/dbraw/zinc/51/10/38/173511038.db2.gz OFRHPBAMAVLSMP-GFCCVEGCSA-N 0 0 290.190 3.597 10 0 CHAERN FC(F)(F)COCc1cc2ccccc2nc1Cl ZINC000037758365 173682462 /nfs/dbraw/zinc/68/24/62/173682462.db2.gz DLHUGNJYMNIDAO-UHFFFAOYSA-N 0 0 275.657 3.967 10 0 CHAERN Cc1ccc(CNc2ccc3nccnc3c2)s1 ZINC000037773269 173705334 /nfs/dbraw/zinc/70/53/34/173705334.db2.gz JGDJOMDFPGPVQO-UHFFFAOYSA-N 0 0 255.346 3.612 10 0 CHAERN Clc1ccc(-n2cccn2)c(NC2CCCC2)c1 ZINC000037774416 173706751 /nfs/dbraw/zinc/70/67/51/173706751.db2.gz NSSXUHNIBIDZEX-UHFFFAOYSA-N 0 0 261.756 3.880 10 0 CHAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000037969084 173916906 /nfs/dbraw/zinc/91/69/06/173916906.db2.gz GTQRQBDPNQBQCL-LBPRGKRZSA-N 0 0 288.174 3.651 10 0 CHAERN CCOc1ccc([C@@H]([NH2+]C2CCCCCC2)C(=O)[O-])cc1 ZINC000037972493 173925439 /nfs/dbraw/zinc/92/54/39/173925439.db2.gz HAJRISDGMXVTNV-MRXNPFEDSA-N 0 0 291.391 3.523 10 0 CHAERN C[C@H](c1ccc(F)cc1F)N1CCc2c(N)cccc2C1 ZINC000038032657 174028460 /nfs/dbraw/zinc/02/84/60/174028460.db2.gz GLODPGDWLBRTLN-LLVKDONJSA-N 0 0 288.341 3.666 10 0 CHAERN C[C@@H](c1ccc(F)cc1F)N1CCc2c(N)cccc2C1 ZINC000038032656 174028686 /nfs/dbraw/zinc/02/86/86/174028686.db2.gz GLODPGDWLBRTLN-NSHDSACASA-N 0 0 288.341 3.666 10 0 CHAERN Nc1ccc(Cl)c(Nc2cc3ccccc3c(=O)[nH]2)c1 ZINC000038033834 174032234 /nfs/dbraw/zinc/03/22/34/174032234.db2.gz CZUNSEQMFBYDFL-UHFFFAOYSA-N 0 0 285.734 3.507 10 0 CHAERN CCCOc1cccc(CNc2cccc3n[nH]cc32)c1 ZINC000038038368 174039085 /nfs/dbraw/zinc/03/90/85/174039085.db2.gz GGNGKXCLGXQIGD-UHFFFAOYSA-N 0 0 281.359 3.964 10 0 CHAERN CCN(c1c(F)cc(N)cc1F)C1CCCCC1 ZINC000038039816 174039491 /nfs/dbraw/zinc/03/94/91/174039491.db2.gz XTWCUPUYIXJLST-UHFFFAOYSA-N 0 0 254.324 3.706 10 0 CHAERN CCCN(Cc1ccccc1)c1c(F)cc(N)cc1F ZINC000038040174 174040221 /nfs/dbraw/zinc/04/02/21/174040221.db2.gz LDLBHCLSQDKNPH-UHFFFAOYSA-N 0 0 276.330 3.964 10 0 CHAERN CN(c1c(F)cc(N)cc1F)C1CCCCCC1 ZINC000038040192 174040375 /nfs/dbraw/zinc/04/03/75/174040375.db2.gz VTJSTOHSMZWAMD-UHFFFAOYSA-N 0 0 254.324 3.706 10 0 CHAERN CCC(CC)CN(CC)c1c(F)cc(N)cc1F ZINC000038040177 174040427 /nfs/dbraw/zinc/04/04/27/174040427.db2.gz VHVAGIKATYHMGO-UHFFFAOYSA-N 0 0 256.340 3.810 10 0 CHAERN CCn1c(CN[C@@H](C)c2ccc(C)o2)nc2ccccc21 ZINC000038046804 174055916 /nfs/dbraw/zinc/05/59/16/174055916.db2.gz SLXAUETVYFAMNG-ZDUSSCGKSA-N 0 0 283.375 3.808 10 0 CHAERN Cc1ccc(C(C)C)cc1Oc1ccc(C(N)=O)cc1N ZINC000038052822 174064615 /nfs/dbraw/zinc/06/46/15/174064615.db2.gz OLHBWAZOTRHJGB-UHFFFAOYSA-N 0 0 284.359 3.592 10 0 CHAERN C[C@@H](C(=O)c1cccc(Cl)c1)n1cc(Cl)cn1 ZINC000038053762 174065268 /nfs/dbraw/zinc/06/52/68/174065268.db2.gz AVJYLNQXBBLBQU-QMMMGPOBSA-N 0 0 269.131 3.634 10 0 CHAERN CC[C@H](C)N[C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000038066615 174077603 /nfs/dbraw/zinc/07/76/03/174077603.db2.gz VGNXQTOMYAPWHC-XHDPSFHLSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@@H](C)N[C@@](CC)(C(=O)OC)c1cccc(Cl)c1 ZINC000038067030 174078487 /nfs/dbraw/zinc/07/84/87/174078487.db2.gz UMEKYCFCHRICDJ-IAQYHMDHSA-N 0 0 283.799 3.506 10 0 CHAERN CCOC(=O)[C@](C)(N[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000038067699 174079093 /nfs/dbraw/zinc/07/90/93/174079093.db2.gz LKUVTNDYSTUPOD-XHDPSFHLSA-N 0 0 283.799 3.506 10 0 CHAERN CC[C@H](C)N[C@@H](C(=O)OC)c1cc(Cl)cc(Cl)c1 ZINC000038067327 174079126 /nfs/dbraw/zinc/07/91/26/174079126.db2.gz LWFCIOARYYREPS-QPUJVOFHSA-N 0 0 290.190 3.596 10 0 CHAERN CCOC(=O)[C@@](C)(N[C@@H](C)CC)c1cccc(Cl)c1 ZINC000038067735 174079925 /nfs/dbraw/zinc/07/99/25/174079925.db2.gz XGUMBNNNKXBJOC-NHYWBVRUSA-N 0 0 283.799 3.506 10 0 CHAERN COc1ccc(-c2ccc(OC)c(C=O)c2)cc1Cl ZINC000038071876 174082986 /nfs/dbraw/zinc/08/29/86/174082986.db2.gz LHRXGVWJGZRTTB-UHFFFAOYSA-N 0 0 276.719 3.837 10 0 CHAERN Cc1cc(C)cc(Cn2ccc3ccc(N)cc32)c1 ZINC000038076805 174087686 /nfs/dbraw/zinc/08/76/86/174087686.db2.gz JQFQIHRUGHJMIF-UHFFFAOYSA-N 0 0 250.345 3.889 10 0 CHAERN COc1cccc(CNc2ccc(Cl)cc2N)c1 ZINC000038077967 174088127 /nfs/dbraw/zinc/08/81/27/174088127.db2.gz SUYLONIYGVHUNI-UHFFFAOYSA-N 0 0 262.740 3.543 10 0 CHAERN COC(=O)c1sc(Oc2ccccc2F)nc1Cl ZINC000038082271 174091176 /nfs/dbraw/zinc/09/11/76/174091176.db2.gz VMELBPPRWPSLOK-UHFFFAOYSA-N 0 0 287.699 3.515 10 0 CHAERN Cc1ccc([C@H](O)c2cccc(Br)c2)s1 ZINC000038393644 174141192 /nfs/dbraw/zinc/14/11/92/174141192.db2.gz JDYKNCWLEHYLSM-GFCCVEGCSA-N 0 0 283.190 3.901 10 0 CHAERN O=Cc1cccc(-c2ccccc2C(F)(F)F)n1 ZINC000039927781 174175116 /nfs/dbraw/zinc/17/51/16/174175116.db2.gz UQGRBLVDXGXUEM-UHFFFAOYSA-N 0 0 251.207 3.580 10 0 CHAERN CCCOC(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000040167145 174199006 /nfs/dbraw/zinc/19/90/06/174199006.db2.gz CYDFLJINALBILD-UHFFFAOYSA-N 0 0 289.400 3.897 10 0 CHAERN Cc1cc(=S)c2cccc(Br)c2[nH]1 ZINC000040175033 174201077 /nfs/dbraw/zinc/20/10/77/174201077.db2.gz TVLBQRFFJRRHNC-UHFFFAOYSA-N 0 0 254.152 3.594 10 0 CHAERN CCCCNC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178895 174203002 /nfs/dbraw/zinc/20/30/02/174203002.db2.gz FQSBELCSNKGFKQ-UHFFFAOYSA-N 0 0 275.323 3.924 10 0 CHAERN CCCNC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178894 174203068 /nfs/dbraw/zinc/20/30/68/174203068.db2.gz LLYDOHPGNADINJ-UHFFFAOYSA-N 0 0 261.296 3.534 10 0 CHAERN CCOc1cccc(CNc2cccc(F)c2F)c1 ZINC000040230437 174210222 /nfs/dbraw/zinc/21/02/22/174210222.db2.gz ARTGRSJXIRALST-UHFFFAOYSA-N 0 0 263.287 3.976 10 0 CHAERN COCc1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040231992 174210664 /nfs/dbraw/zinc/21/06/64/174210664.db2.gz SAIHTUSEHFXAEK-JXMROGBWSA-N 0 0 278.355 3.896 10 0 CHAERN O[C@@H](c1ccsc1)c1ccc(Br)cc1 ZINC000040243458 174214455 /nfs/dbraw/zinc/21/44/55/174214455.db2.gz HLWDSQLHKLKYOX-LLVKDONJSA-N 0 0 269.163 3.592 10 0 CHAERN CCOc1ccc([C@H](O)CC(C)C)cc1OCC ZINC000040248155 174215489 /nfs/dbraw/zinc/21/54/89/174215489.db2.gz CQYTZAYDXOAVKT-CYBMUJFWSA-N 0 0 252.354 3.564 10 0 CHAERN CCOCCCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040403260 174253671 /nfs/dbraw/zinc/25/36/71/174253671.db2.gz RQUHUJIREPVDBD-UHFFFAOYSA-N 0 0 278.783 3.994 10 0 CHAERN CCOCCCn1c(CC)nc2cc(Cl)ccc21 ZINC000040403209 174253854 /nfs/dbraw/zinc/25/38/54/174253854.db2.gz KHDNSTMCAYXIMN-UHFFFAOYSA-N 0 0 266.772 3.679 10 0 CHAERN Cc1cc(C)cc(Nc2ncnc(NC3CCCC3)c2N)c1 ZINC000040682209 174375526 /nfs/dbraw/zinc/37/55/26/174375526.db2.gz ZXEZVLJQUJYASQ-UHFFFAOYSA-N 0 0 297.406 3.774 10 0 CHAERN CC(C)Oc1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040706252 174379579 /nfs/dbraw/zinc/37/95/79/174379579.db2.gz YSQNIPAHLTWUDB-UHFFFAOYSA-N 0 0 286.379 3.713 10 0 CHAERN Cc1ccc(Nc2ncnc(NCCC(C)C)c2N)c(C)c1 ZINC000040755509 174396542 /nfs/dbraw/zinc/39/65/42/174396542.db2.gz XVCUGKVYDSGFGT-UHFFFAOYSA-N 0 0 299.422 3.877 10 0 CHAERN CCCCC(=O)NC(=S)Nc1ccc(C)c(Cl)c1 ZINC000040898225 174429397 /nfs/dbraw/zinc/42/93/97/174429397.db2.gz VXOJQRZECXFVRK-UHFFFAOYSA-N 0 0 284.812 3.652 10 0 CHAERN CCc1ccc(C[C@@H](CO)Cc2ccccc2)cc1 ZINC000041324623 174521288 /nfs/dbraw/zinc/52/12/88/174521288.db2.gz RHZADKAPGQJPLZ-SFHVURJKSA-N 0 0 254.373 3.643 10 0 CHAERN Cc1cc([C@@H](C)O)ccc1OCc1ccccc1F ZINC000041347168 174528737 /nfs/dbraw/zinc/52/87/37/174528737.db2.gz PMSMQQHQEGSZNI-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN Nc1cc(C(=O)c2ccc(Cl)s2)ccc1Cl ZINC000041405809 174547580 /nfs/dbraw/zinc/54/75/80/174547580.db2.gz AHDYQPMMDONVQR-UHFFFAOYSA-N 0 0 272.156 3.868 10 0 CHAERN O=C1CCCC[C@H]1Cc1cc(F)ccc1Br ZINC000042401366 174710499 /nfs/dbraw/zinc/71/04/99/174710499.db2.gz CSVZQORANOXMDP-VIFPVBQESA-N 0 0 285.156 3.890 10 0 CHAERN Cc1cc(N(Cc2cccs2)C2CC2)ccc1N ZINC000042515191 174766875 /nfs/dbraw/zinc/76/68/75/174766875.db2.gz XEZDHINDKLGIDN-UHFFFAOYSA-N 0 0 258.390 3.808 10 0 CHAERN CCCCCN(c1ccc(F)cc1CO)C(C)C ZINC000042558072 174794068 /nfs/dbraw/zinc/79/40/68/174794068.db2.gz MFZKIWSHFSTLKK-UHFFFAOYSA-N 0 0 253.361 3.723 10 0 CHAERN CC[C@H](NC(=O)c1cc(N)c(Cl)c(Cl)c1)C(C)C ZINC000042584510 174807261 /nfs/dbraw/zinc/80/72/61/174807261.db2.gz WPWSHIMMUOHZOY-NSHDSACASA-N 0 0 289.206 3.740 10 0 CHAERN C[C@@H]1CCCC[C@@H]1N(C)c1c(F)cc(N)cc1F ZINC000042603278 174818346 /nfs/dbraw/zinc/81/83/46/174818346.db2.gz MDJOQZQLLLXLPS-RNCFNFMXSA-N 0 0 254.324 3.562 10 0 CHAERN O[C@@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043391962 175034522 /nfs/dbraw/zinc/03/45/22/175034522.db2.gz HCRADMITFNPBDR-ZDUSSCGKSA-N 0 0 272.653 3.839 10 0 CHAERN COc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043476952 175055056 /nfs/dbraw/zinc/05/50/56/175055056.db2.gz UQNNWQYFRNLALB-UHFFFAOYSA-N 0 0 263.724 3.666 10 0 CHAERN Cc1nn([C@H](C)c2cc3ccccc3o2)c(N)c1Cl ZINC000043667745 175086717 /nfs/dbraw/zinc/08/67/17/175086717.db2.gz RIOYHYCHOGKQEH-SECBINFHSA-N 0 0 275.739 3.783 10 0 CHAERN O[C@@H]1CCCC[C@H]1Cc1sccc1Br ZINC000043677475 175088464 /nfs/dbraw/zinc/08/84/64/175088464.db2.gz SGNNJRHWYBQCPB-WCBMZHEXSA-N 0 0 275.211 3.604 10 0 CHAERN Nc1cccc(OCc2cc(Br)cs2)c1 ZINC000043686597 175094487 /nfs/dbraw/zinc/09/44/87/175094487.db2.gz BTBMWDPYVCEJLX-UHFFFAOYSA-N 0 0 284.178 3.672 10 0 CHAERN Brc1csc(COC[C@@H]2CCCCO2)c1 ZINC000043687570 175095066 /nfs/dbraw/zinc/09/50/66/175095066.db2.gz OMMIQIJMQDUCMP-JTQLQIEISA-N 0 0 291.210 3.596 10 0 CHAERN Cc1ccc(-c2nc(Br)cs2)cc1 ZINC000044118988 175142033 /nfs/dbraw/zinc/14/20/33/175142033.db2.gz WJDKPLLLFXDBRZ-UHFFFAOYSA-N 0 0 254.152 3.881 10 0 CHAERN Clc1cc(-c2ccccn2)nc(-c2ccccc2)n1 ZINC000044119229 175142040 /nfs/dbraw/zinc/14/20/40/175142040.db2.gz XXYYFPGIMNCUBY-UHFFFAOYSA-N 0 0 267.719 3.859 10 0 CHAERN Fc1cc(F)cc(-c2nc(Br)cs2)c1 ZINC000044119729 175142651 /nfs/dbraw/zinc/14/26/51/175142651.db2.gz YTXBUUODFQQBKW-UHFFFAOYSA-N 0 0 276.105 3.851 10 0 CHAERN CCOC(=O)c1c(N)sc(-c2ccc(F)cc2)c1C ZINC000045245176 175336496 /nfs/dbraw/zinc/33/64/96/175336496.db2.gz XKPOWAVHFBXFHW-UHFFFAOYSA-N 0 0 279.336 3.622 10 0 CHAERN Cc1ccc2c(c1)NC(=O)/C(=C/c1ccccc1F)O2 ZINC000049453143 175478557 /nfs/dbraw/zinc/47/85/57/175478557.db2.gz AJNLDYBZXJDZQG-DHDCSXOGSA-N 0 0 269.275 3.506 10 0 CHAERN Brc1ccc(OCC2CCCCC2)nc1 ZINC000071107952 176034048 /nfs/dbraw/zinc/03/40/48/176034048.db2.gz GKQGGOFGKRMFKF-UHFFFAOYSA-N 0 0 270.170 3.803 10 0 CHAERN Cc1ccc(Nc2nnc(Cl)c(C)c2C)c(F)c1 ZINC000071170991 176051471 /nfs/dbraw/zinc/05/14/71/176051471.db2.gz UPEOMHDHHIDHKL-UHFFFAOYSA-N 0 0 265.719 3.938 10 0 CHAERN Cc1cccc(Cn2nc(C(C)C)c(CO)c2Cl)c1 ZINC000071192824 176074626 /nfs/dbraw/zinc/07/46/26/176074626.db2.gz BMOVAMBBTPXHEG-UHFFFAOYSA-N 0 0 278.783 3.509 10 0 CHAERN Cc1ncsc1CNc1nc2cc(F)ccc2s1 ZINC000071213355 176084646 /nfs/dbraw/zinc/08/46/46/176084646.db2.gz GXVTZIHDFNJKPV-UHFFFAOYSA-N 0 0 279.365 3.812 10 0 CHAERN Cc1cccnc1CNc1nc2cc(F)ccc2s1 ZINC000071344645 176131430 /nfs/dbraw/zinc/13/14/30/176131430.db2.gz ZUJCHQYAOIMGGH-UHFFFAOYSA-N 0 0 273.336 3.751 10 0 CHAERN Cc1ccc(C(=O)c2cccc(N)c2)c2ccccc12 ZINC000071450940 176175472 /nfs/dbraw/zinc/17/54/72/176175472.db2.gz XWPRXZKTZYDONV-UHFFFAOYSA-N 0 0 261.324 3.961 10 0 CHAERN OCc1c(Cl)[nH]c2cc(Cl)cc(Cl)c21 ZINC000071466289 176182598 /nfs/dbraw/zinc/18/25/98/176182598.db2.gz QXJKNFJLHGCBFQ-UHFFFAOYSA-N 0 0 250.512 3.620 10 0 CHAERN CC(C)(Br)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000071650359 176241119 /nfs/dbraw/zinc/24/11/19/176241119.db2.gz XNPRUCRUPGHGGA-UHFFFAOYSA-N 0 0 294.551 3.591 10 0 CHAERN Clc1ccccc1-n1nccc1-c1cccnc1 ZINC000072190563 176336098 /nfs/dbraw/zinc/33/60/98/176336098.db2.gz JUQRPPYCXRGQCK-UHFFFAOYSA-N 0 0 255.708 3.588 10 0 CHAERN Clc1cccc(-c2cc(Br)ccn2)n1 ZINC000072204084 176341904 /nfs/dbraw/zinc/34/19/04/176341904.db2.gz JQDSMSCYTOIPAB-UHFFFAOYSA-N 0 0 269.529 3.560 10 0 CHAERN Cc1ccc(Nc2nc(N(C)C)nc3ccccc32)cc1 ZINC000072260463 176351753 /nfs/dbraw/zinc/35/17/53/176351753.db2.gz VFSRNXMQJSCKRL-UHFFFAOYSA-N 0 0 278.359 3.748 10 0 CHAERN CCN(CC)c1nc(Nc2cccnc2)nc2ccccc21 ZINC000072260983 176351839 /nfs/dbraw/zinc/35/18/39/176351839.db2.gz QRPSQUNBMYFQJV-UHFFFAOYSA-N 0 0 293.374 3.615 10 0 CHAERN Cc1cccc2c1CN(C(=O)OC(C)(C)C)[C@H](C)CN2 ZINC000072266557 176352510 /nfs/dbraw/zinc/35/25/10/176352510.db2.gz IWNBBUBIFSJTLY-GFCCVEGCSA-N 0 0 276.380 3.546 10 0 CHAERN Cc1nccc([C@H]2CCCCN2Cc2cccc(F)c2)n1 ZINC000072385356 176390049 /nfs/dbraw/zinc/39/00/49/176390049.db2.gz YKCNLRYURGDBLV-QGZVFWFLSA-N 0 0 285.366 3.651 10 0 CHAERN Cc1nn2c3c(cnc2c1-c1cccc(Cl)c1)CCC3 ZINC000072451756 176404823 /nfs/dbraw/zinc/40/48/23/176404823.db2.gz ZSPALPPZJXWZNS-UHFFFAOYSA-N 0 0 283.762 3.847 10 0 CHAERN COc1ccc(CNc2cccc(O)c2)c(Cl)c1OC ZINC000076275342 176968253 /nfs/dbraw/zinc/96/82/53/176968253.db2.gz QRGGASMSMMZJFK-UHFFFAOYSA-N 0 0 293.750 3.675 10 0 CHAERN Cc1nc(Nc2ccccc2)sc1Br ZINC000076401935 177017171 /nfs/dbraw/zinc/01/71/71/177017171.db2.gz YLGZQVQFJAWPKH-UHFFFAOYSA-N 0 0 269.167 3.958 10 0 CHAERN O=C1CCC[C@H](c2cc(Br)ccc2F)C1 ZINC000076409269 177019937 /nfs/dbraw/zinc/01/99/37/177019937.db2.gz KZQUESLARKVPTL-QMMMGPOBSA-N 0 0 271.129 3.815 10 0 CHAERN Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1F ZINC000076855314 177121760 /nfs/dbraw/zinc/12/17/60/177121760.db2.gz GLZCIQZNRHOLAE-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Nc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1F ZINC000076855317 177121812 /nfs/dbraw/zinc/12/18/12/177121812.db2.gz NUBAUHYTXWFFPI-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN CCn1c(=S)[nH]nc1-c1cc2cc(C)ccc2o1 ZINC000077069988 177185302 /nfs/dbraw/zinc/18/53/02/177185302.db2.gz KJDLHIMZYUEBHF-UHFFFAOYSA-N 0 0 259.334 3.682 10 0 CHAERN FC1(F)CCCC[C@@H]1c1nc([C@H]2CCCS2)no1 ZINC000334667694 225238602 /nfs/dbraw/zinc/23/86/02/225238602.db2.gz MTCNZATVONXJER-RKDXNWHRSA-N 0 0 274.336 3.931 10 0 CHAERN O=C1CCc2cc(Oc3nc4ccccc4o3)ccc21 ZINC000302570833 227867204 /nfs/dbraw/zinc/86/72/04/227867204.db2.gz YZAPNGOEPFLEKI-UHFFFAOYSA-N 0 0 265.268 3.749 10 0 CHAERN Cc1nc(C)c(C)c(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)n1 ZINC000302837133 227892503 /nfs/dbraw/zinc/89/25/03/227892503.db2.gz XETGFACARSNLBL-VIFPVBQESA-N 0 0 298.342 3.607 10 0 CHAERN NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000329899609 227979005 /nfs/dbraw/zinc/97/90/05/227979005.db2.gz FPXPKWRVZSFFKO-KBUPBQIOSA-N 0 0 292.423 3.509 10 0 CHAERN Fc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000114202857 228112501 /nfs/dbraw/zinc/11/25/01/228112501.db2.gz YZFWOYCHTMTGNM-HNNXBMFYSA-N 0 0 293.773 3.929 10 0 CHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1C[C@H]2CCC[C@@H]21 ZINC000333348512 228198049 /nfs/dbraw/zinc/19/80/49/228198049.db2.gz RBPNVRCAEKAFLI-RISCZKNCSA-N 0 0 297.358 3.721 10 0 CHAERN CC[C@@]12C=CCN3CCc4c5ccccc5n(c4[C@@H]31)C=C2 ZINC000015148942 260039696 /nfs/dbraw/zinc/03/96/96/260039696.db2.gz YGQJAUFBGGXCPP-MOPGFXCFSA-N 0 0 276.383 3.991 10 0 CHAERN CO[C@@H](C)c1nsc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000312511421 260136514 /nfs/dbraw/zinc/13/65/14/260136514.db2.gz LVBLEJUTTGOYFD-UWVGGRQHSA-N 0 0 295.383 3.866 10 0 CHAERN FC(F)(F)c1ccc(-c2nccc(Cl)n2)cc1 ZINC000034345827 260148820 /nfs/dbraw/zinc/14/88/20/260148820.db2.gz VUQHGWIYDQVVEN-UHFFFAOYSA-N 0 0 258.630 3.816 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cs1 ZINC000408101018 260230735 /nfs/dbraw/zinc/23/07/35/260230735.db2.gz GADAGMANFQVNSE-SRRSOLGSSA-N 0 0 295.452 3.636 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cs1 ZINC000408101016 260230781 /nfs/dbraw/zinc/23/07/81/260230781.db2.gz GADAGMANFQVNSE-MPPDQPJWSA-N 0 0 295.452 3.636 10 0 CHAERN CC(=O)N1CCc2cc(NCC3CCC(C)CC3)ccc21 ZINC000089575848 260237694 /nfs/dbraw/zinc/23/76/94/260237694.db2.gz BHJNCDPGCHUGHQ-UHFFFAOYSA-N 0 0 286.419 3.834 10 0 CHAERN FC(F)(F)COc1ccccc1NCc1cc[nH]c1 ZINC000090994426 260264061 /nfs/dbraw/zinc/26/40/61/260264061.db2.gz IJWOZCAXECWACA-UHFFFAOYSA-N 0 0 270.254 3.568 10 0 CHAERN CCCn1ccc(CNc2ccc(C)cc2OC)c1 ZINC000091012509 260264785 /nfs/dbraw/zinc/26/47/85/260264785.db2.gz JTEAFZMXRHCGNU-UHFFFAOYSA-N 0 0 258.365 3.827 10 0 CHAERN CCCn1ccc(CNc2ccc(N3CCCC3)nc2)c1 ZINC000091010799 260264825 /nfs/dbraw/zinc/26/48/25/260264825.db2.gz FCSIEYWDMGXLKM-UHFFFAOYSA-N 0 0 284.407 3.505 10 0 CHAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cn1 ZINC000092195742 260267493 /nfs/dbraw/zinc/26/74/93/260267493.db2.gz RQNRBADSLSLEQT-VHSXEESVSA-N 0 0 280.293 3.911 10 0 CHAERN COCc1cccc(N[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000126608840 260355929 /nfs/dbraw/zinc/35/59/29/260355929.db2.gz ZHKCQFMGJLKLMT-ZDUSSCGKSA-N 0 0 271.360 3.582 10 0 CHAERN O=C(CCC1CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000127569004 260368043 /nfs/dbraw/zinc/36/80/43/260368043.db2.gz AEIBZJJLWBUCJU-AEFFLSMTSA-N 0 0 293.451 3.501 10 0 CHAERN CCc1ccc([C@@H](C)Nc2nccn3nc(C)cc23)cc1 ZINC000129210897 260384804 /nfs/dbraw/zinc/38/48/04/260384804.db2.gz OBNFNVBAINLDET-CYBMUJFWSA-N 0 0 280.375 3.773 10 0 CHAERN C[C@@H]1CC(Nc2cccc(-c3cnco3)c2)C[C@@H](C)O1 ZINC000130037547 260391720 /nfs/dbraw/zinc/39/17/20/260391720.db2.gz SKZBTNNYEALZAE-VXGBXAGGSA-N 0 0 272.348 3.710 10 0 CHAERN C[C@H](SCc1nnc(C2CC2)n1C)c1ccccc1 ZINC000091027372 260471184 /nfs/dbraw/zinc/47/11/84/260471184.db2.gz PNPAXKIQHLYUCG-NSHDSACASA-N 0 0 273.405 3.687 10 0 CHAERN CCn1c(C)nnc1CS[C@@H](C)c1ccc(F)c(F)c1 ZINC000091029134 260471598 /nfs/dbraw/zinc/47/15/98/260471598.db2.gz FTRCXFOVSOIVLL-VIFPVBQESA-N 0 0 297.374 3.879 10 0 CHAERN CC(C)[C@H](C)NC(=O)N(Cc1ccccc1)CC(F)F ZINC000151636038 260983310 /nfs/dbraw/zinc/98/33/10/260983310.db2.gz ZPPHPHONEBLTOJ-LBPRGKRZSA-N 0 0 284.350 3.508 10 0 CHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CC=CC1 ZINC000151673105 261053870 /nfs/dbraw/zinc/05/38/70/261053870.db2.gz GPWLSFUSUVDLID-INIZCTEOSA-N 0 0 297.398 3.905 10 0 CHAERN CC1(C)C[C@H](NC(=O)Nc2cccnc2)c2ccccc2O1 ZINC000152090662 261059629 /nfs/dbraw/zinc/05/96/29/261059629.db2.gz QJKSXSXZTKRAHD-AWEZNQCLSA-N 0 0 297.358 3.506 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)C2=C(C)OCCC2)o1 ZINC000153277212 261076123 /nfs/dbraw/zinc/07/61/23/261076123.db2.gz GGRYIEQNBGRXKR-OAHLLOKOSA-N 0 0 289.375 3.726 10 0 CHAERN CCc1nc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000154386695 261091151 /nfs/dbraw/zinc/09/11/51/261091151.db2.gz XNHMIOYAUFLYQW-GFCCVEGCSA-N 0 0 287.407 3.780 10 0 CHAERN CC(C)COc1ccc([C@H](C)NC(=O)N(C)C2CC2)cc1 ZINC000155445541 261102168 /nfs/dbraw/zinc/10/21/68/261102168.db2.gz FHWSOWSABWBFPY-ZDUSSCGKSA-N 0 0 290.407 3.586 10 0 CHAERN Cc1c(-c2nc(-c3cccs3)no2)cnn1CC(C)C ZINC000158162548 261159997 /nfs/dbraw/zinc/15/99/97/261159997.db2.gz FIGRPDBGNWFOHV-UHFFFAOYSA-N 0 0 288.376 3.626 10 0 CHAERN CCn1ccnc1CSCCCOc1ccc(F)cc1 ZINC000175278315 261217900 /nfs/dbraw/zinc/21/79/00/261217900.db2.gz PAWXYTLWDSQSIT-UHFFFAOYSA-N 0 0 294.395 3.744 10 0 CHAERN CCC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000175677040 261240379 /nfs/dbraw/zinc/24/03/79/261240379.db2.gz DBMFXRHAFUOWIK-CHWSQXEVSA-N 0 0 293.357 3.765 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000103387045 261281217 /nfs/dbraw/zinc/28/12/17/261281217.db2.gz LIERPBOBQVIEIT-ZDUSSCGKSA-N 0 0 288.391 3.518 10 0 CHAERN Cc1ccc2oc(C(=O)c3ccc(F)c(F)c3)cc2n1 ZINC000103500594 261330278 /nfs/dbraw/zinc/33/02/78/261330278.db2.gz FBJUTPAZOFDRIP-UHFFFAOYSA-N 0 0 273.238 3.645 10 0 CHAERN Cc1ccc2oc(C(=O)c3cc(F)ccc3F)cc2n1 ZINC000103500603 261330474 /nfs/dbraw/zinc/33/04/74/261330474.db2.gz JWSDKIHHMRZIRQ-UHFFFAOYSA-N 0 0 273.238 3.645 10 0 CHAERN FC(F)CNc1ccnc2c(Br)cccc12 ZINC000301435304 261333867 /nfs/dbraw/zinc/33/38/67/261333867.db2.gz RDYINMHMTOVPNT-UHFFFAOYSA-N 0 0 287.107 3.674 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)C(C)(C)CC(C)C)o1 ZINC000177596244 261364334 /nfs/dbraw/zinc/36/43/34/261364334.db2.gz KGDHKDROUSKRIJ-GFCCVEGCSA-N 0 0 251.370 3.838 10 0 CHAERN C[C@H](NC(=O)c1ccc(O)cc1F)c1cccc(Cl)c1 ZINC000181037374 261428200 /nfs/dbraw/zinc/42/82/00/261428200.db2.gz UOPGGOQGZNONEW-VIFPVBQESA-N 0 0 293.725 3.676 10 0 CHAERN O=C(N[C@@H]1CCOc2ccccc21)C1CCCCCC1 ZINC000171025168 261455337 /nfs/dbraw/zinc/45/53/37/261455337.db2.gz BBAFLXAMCJCJTK-OAHLLOKOSA-N 0 0 273.376 3.597 10 0 CHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)C2CC2)cc1 ZINC000172300956 261497363 /nfs/dbraw/zinc/49/73/63/261497363.db2.gz OTVSSWCKSMKQLH-GFCCVEGCSA-N 0 0 260.381 3.675 10 0 CHAERN COCc1nsc(N[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000176753960 261667199 /nfs/dbraw/zinc/66/71/99/261667199.db2.gz IVSQMWBTWDQUFG-NSHDSACASA-N 0 0 291.420 3.981 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)C2CC2)o1 ZINC000178512680 261747091 /nfs/dbraw/zinc/74/70/91/261747091.db2.gz RTOZHKJLUBFBBP-JSGCOSHPSA-N 0 0 261.365 3.688 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)C2CC2)o1 ZINC000178512709 261747092 /nfs/dbraw/zinc/74/70/92/261747092.db2.gz RTOZHKJLUBFBBP-OCCSQVGLSA-N 0 0 261.365 3.688 10 0 CHAERN c1nc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000182065447 261922713 /nfs/dbraw/zinc/92/27/13/261922713.db2.gz KLMPBJMXLWUVGG-OAHLLOKOSA-N 0 0 284.359 3.601 10 0 CHAERN Cc1ccc([C@H](C)NCc2noc(C3CCCCC3)n2)o1 ZINC000182602563 261945196 /nfs/dbraw/zinc/94/51/96/261945196.db2.gz ULLCDDCTHZVSTQ-LBPRGKRZSA-N 0 0 289.379 3.870 10 0 CHAERN COCCC[C@@H](C)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000182874948 261954025 /nfs/dbraw/zinc/95/40/25/261954025.db2.gz PTDFIQJWPMSLDC-CYBMUJFWSA-N 0 0 287.407 3.716 10 0 CHAERN Cc1ncc(CN(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000183213100 261967182 /nfs/dbraw/zinc/96/71/82/261967182.db2.gz ZHAJANUSIFCFNO-WCQYABFASA-N 0 0 294.464 3.872 10 0 CHAERN CCc1nnc(CSCc2ccc(C(F)F)cc2)n1C ZINC000185638034 262063654 /nfs/dbraw/zinc/06/36/54/262063654.db2.gz FWQGISQICOGKRC-UHFFFAOYSA-N 0 0 297.374 3.749 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cccc(C)c2C)C12CCOCC2 ZINC000186444265 262093608 /nfs/dbraw/zinc/09/36/08/262093608.db2.gz VYIBSSPLPGPYJB-IRXDYDNUSA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cc(C)ccc2C)C12CCOCC2 ZINC000186475582 262094562 /nfs/dbraw/zinc/09/45/62/262094562.db2.gz KMXJJDVHKBGZHX-IRXDYDNUSA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@@H]1C[C@H](Nc2cc(C)ccc2C)C12CCOCC2 ZINC000186475565 262094876 /nfs/dbraw/zinc/09/48/76/262094876.db2.gz KMXJJDVHKBGZHX-DLBZAZTESA-N 0 0 289.419 3.690 10 0 CHAERN CCO[C@H]1C[C@H](Nc2ccc(F)cc2C)C12CCOCC2 ZINC000186473298 262094941 /nfs/dbraw/zinc/09/49/41/262094941.db2.gz GYOJSUAADYMFBV-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN O=C(c1ccc(Br)o1)N1CCCC12CCCC2 ZINC000310126809 262095722 /nfs/dbraw/zinc/09/57/22/262095722.db2.gz JKSSBVTWUGAOKP-UHFFFAOYSA-N 0 0 298.180 3.591 10 0 CHAERN CSCCCCC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187005844 262120554 /nfs/dbraw/zinc/12/05/54/262120554.db2.gz NTZCTVXLOKHHBR-ZDUSSCGKSA-N 0 0 298.477 3.648 10 0 CHAERN Cc1nc([C@@H]2CCCN2C(=O)C2C(C)(C)C2(C)C)cs1 ZINC000187124198 262124977 /nfs/dbraw/zinc/12/49/77/262124977.db2.gz XSNIQXLFVMFFJA-LBPRGKRZSA-N 0 0 292.448 3.797 10 0 CHAERN COc1ccc([C@H](C)C(=O)NCC(C)(C)C(C)C)cc1 ZINC000187623671 263265130 /nfs/dbraw/zinc/26/51/30/263265130.db2.gz OXNMNVNSTVWUQM-ZDUSSCGKSA-N 0 0 277.408 3.597 10 0 CHAERN CCc1nnc(CSCc2ccc(Cl)cc2F)n1C ZINC000187860956 263280678 /nfs/dbraw/zinc/28/06/78/263280678.db2.gz VDGUTBRSMCUTSG-UHFFFAOYSA-N 0 0 299.802 3.603 10 0 CHAERN Nc1cccc2c1CCCN2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000126813771 264232331 /nfs/dbraw/zinc/23/23/31/264232331.db2.gz UYFPNRKJVHYAHT-JKSUJKDBSA-N 0 0 298.430 3.764 10 0 CHAERN CCC(CC)N(CC(C)C)C(=O)CNc1ccccc1 ZINC000093310134 264305778 /nfs/dbraw/zinc/30/57/78/264305778.db2.gz CHTWMTSGERLQKU-UHFFFAOYSA-N 0 0 276.424 3.772 10 0 CHAERN Fc1cc(Cl)cnc1N[C@@H]1CCOc2ccccc21 ZINC000094052305 265211827 /nfs/dbraw/zinc/21/18/27/265211827.db2.gz MVHNBWNFURJPHA-GFCCVEGCSA-N 0 0 278.714 3.810 10 0 CHAERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)c(F)c1 ZINC000094195814 265223688 /nfs/dbraw/zinc/22/36/88/265223688.db2.gz UBLSVIOOTJHRIN-ZDUSSCGKSA-N 0 0 271.335 3.934 10 0 CHAERN Cc1ccc([C@H](C)Nc2ncc(Cl)cn2)cc1F ZINC000095016438 265285298 /nfs/dbraw/zinc/28/52/98/265285298.db2.gz VTWLMHMUESYBHX-VIFPVBQESA-N 0 0 265.719 3.751 10 0 CHAERN C[C@@H]1CC[C@](O)(c2ccccc2Br)CS1 ZINC000521401878 265445050 /nfs/dbraw/zinc/44/50/50/265445050.db2.gz SCYGLWVKKBFGFW-BXKDBHETSA-N 0 0 287.222 3.552 10 0 CHAERN O=C(CC1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116049279 267121197 /nfs/dbraw/zinc/12/11/97/267121197.db2.gz VCOIPMVXELVQRP-CQSZACIVSA-N 0 0 261.365 3.914 10 0 CHAERN Cn1cc(C(=O)N2CCC[C@@H]2c2ccco2)c2ccccc21 ZINC000116211601 267133434 /nfs/dbraw/zinc/13/34/34/267133434.db2.gz ZSIBLKULKXIDAO-MRXNPFEDSA-N 0 0 294.354 3.749 10 0 CHAERN Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccco2)c1C ZINC000116290349 267135710 /nfs/dbraw/zinc/13/57/10/267135710.db2.gz MFNUREJAMCWNRC-INIZCTEOSA-N 0 0 298.386 3.672 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH]ccc3c2)o1 ZINC000121111173 267564721 /nfs/dbraw/zinc/56/47/21/267564721.db2.gz DJFCXMSAUMVFCI-LLVKDONJSA-N 0 0 283.331 3.952 10 0 CHAERN Cc1[nH]ccc1C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000123312511 268035168 /nfs/dbraw/zinc/03/51/68/268035168.db2.gz ATZFEBMTKSCPDV-INIZCTEOSA-N 0 0 282.387 3.767 10 0 CHAERN Cc1ccc(F)c(C(=O)N2CCC[C@H]2c2nccs2)c1 ZINC000377253959 268060093 /nfs/dbraw/zinc/06/00/93/268060093.db2.gz DJNRODUAKXXINS-ZDUSSCGKSA-N 0 0 290.363 3.568 10 0 CHAERN COc1ccc(CC2(O)CCCCC2)cc1Br ZINC000049597556 523913574 /nfs/dbraw/zinc/91/35/74/523913574.db2.gz APVSXGSVSKKBBA-UHFFFAOYSA-N 0 0 299.208 3.695 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)NCc2ccncc2)cc1 ZINC000053509558 327710910 /nfs/dbraw/zinc/71/09/10/327710910.db2.gz UFJXIJIREQSDDI-AWEZNQCLSA-N 0 0 297.402 3.765 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)[C@H](C)c2cccnc2)cc1 ZINC000173653159 327772625 /nfs/dbraw/zinc/77/26/25/327772625.db2.gz SNPUFBODEQBABT-KGLIPLIRSA-N 0 0 282.387 3.625 10 0 CHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H](C)c1cccs1 ZINC000184018428 327823345 /nfs/dbraw/zinc/82/33/45/327823345.db2.gz RTRREGLQNWNWFN-NEPJUHHUSA-N 0 0 281.421 3.711 10 0 CHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H](C)c1cccs1 ZINC000184018410 327823542 /nfs/dbraw/zinc/82/35/42/327823542.db2.gz RTRREGLQNWNWFN-RYUDHWBXSA-N 0 0 281.421 3.711 10 0 CHAERN CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152047441 328007613 /nfs/dbraw/zinc/00/76/13/328007613.db2.gz CBFHSVPBOLJEED-HZPDHXFCSA-N 0 0 295.467 3.508 10 0 CHAERN C[C@@H]1C[C@H](Nc2ccc(CCO)cc2)CC(C)(C)C1 ZINC000040737635 328016078 /nfs/dbraw/zinc/01/60/78/328016078.db2.gz LCLCPFKWNRRPQS-CJNGLKHVSA-N 0 0 261.409 3.848 10 0 CHAERN Cc1nc([C@@H](C)NC(=O)c2ccc(C)c(C)c2)cs1 ZINC000170497095 329068530 /nfs/dbraw/zinc/06/85/30/329068530.db2.gz GGTNWBFXQJSHHC-LLVKDONJSA-N 0 0 274.389 3.559 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1O ZINC000049932743 328381425 /nfs/dbraw/zinc/38/14/25/328381425.db2.gz NKLOUXONCIHBQO-MRXNPFEDSA-N 0 0 281.355 3.508 10 0 CHAERN CC(C)[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000070124249 328394950 /nfs/dbraw/zinc/39/49/50/328394950.db2.gz KYQAZRADJWQPAX-GHMZBOCLSA-N 0 0 298.224 3.918 10 0 CHAERN CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000109099914 326824310 /nfs/dbraw/zinc/82/43/10/326824310.db2.gz UTQCYOLULHKMHX-UONOGXRCSA-N 0 0 293.357 3.715 10 0 CHAERN OCc1ccccc1NC1CC(c2ccccc2)C1 ZINC000037133998 326838566 /nfs/dbraw/zinc/83/85/66/326838566.db2.gz HMOQEELPTYDBLY-UHFFFAOYSA-N 0 0 253.345 3.537 10 0 CHAERN COC(=O)c1occc1CNc1ccccc1C(C)C ZINC000037198121 326840907 /nfs/dbraw/zinc/84/09/07/326840907.db2.gz FCHKINHWSBMRKB-UHFFFAOYSA-N 0 0 273.332 3.802 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N2CCSC[C@@H](C)C2)CC(C)(C)C1 ZINC000248992830 326880834 /nfs/dbraw/zinc/88/08/34/326880834.db2.gz HKNMUPIBAYXGDE-MELADBBJSA-N 0 0 283.481 3.660 10 0 CHAERN C[C@H](NC(=O)/C=C\C(C)(C)C)c1cccc(-n2ccnc2)c1 ZINC000255870738 327022977 /nfs/dbraw/zinc/02/29/77/327022977.db2.gz SYHFAZNNICJLMI-CKXPSTMWSA-N 0 0 297.402 3.652 10 0 CHAERN COc1ccc([C@H](C)Nc2cccnc2C)cc1OC ZINC000091495888 327102764 /nfs/dbraw/zinc/10/27/64/327102764.db2.gz QJVCNBVURVSCLJ-NSHDSACASA-N 0 0 272.348 3.580 10 0 CHAERN CCCc1nc(Br)sc1Br ZINC000072192940 327110049 /nfs/dbraw/zinc/11/00/49/327110049.db2.gz GDHWDZHXECTTPR-UHFFFAOYSA-N 0 0 285.004 3.621 10 0 CHAERN CCC(C)(C)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000091234631 327167247 /nfs/dbraw/zinc/16/72/47/327167247.db2.gz OTMSIYIBGGECPW-QMMMGPOBSA-N 0 0 274.817 3.950 10 0 CHAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000097653621 327210015 /nfs/dbraw/zinc/21/00/15/327210015.db2.gz KGSHCDSJZVKHHM-JTQLQIEISA-N 0 0 274.389 3.559 10 0 CHAERN Cc1ccsc1CNC(=O)N[C@@H](C)c1ccccc1C ZINC000026177524 327210192 /nfs/dbraw/zinc/21/01/92/327210192.db2.gz VMICRNZKWGXTIJ-ZDUSSCGKSA-N 0 0 288.416 3.925 10 0 CHAERN Cc1ccc([C@@H](C)Nc2cnc3ccccc3n2)o1 ZINC000041872910 327232258 /nfs/dbraw/zinc/23/22/58/327232258.db2.gz NISMGZLVTSIPNZ-LLVKDONJSA-N 0 0 253.305 3.704 10 0 CHAERN Cc1ccc2oc(C(=O)Nc3ccccc3N)cc2c1 ZINC000042893024 327242382 /nfs/dbraw/zinc/24/23/82/327242382.db2.gz AQWJXUVUGFCNAK-UHFFFAOYSA-N 0 0 266.300 3.576 10 0 CHAERN Cc1cc(C)nc(-c2noc([C@H]3CCC[C@@H]3C)n2)c1 ZINC000408224197 327301092 /nfs/dbraw/zinc/30/10/92/327301092.db2.gz DZBUDSHITDVNBG-JQWIXIFHSA-N 0 0 257.337 3.652 10 0 CHAERN CC(C)CC1(C(=O)N2CCS[C@@H](C)C2)CCCC1 ZINC000151838833 327512366 /nfs/dbraw/zinc/51/23/66/327512366.db2.gz VAPHDSTXXIDSNT-ZDUSSCGKSA-N 0 0 269.454 3.557 10 0 CHAERN COc1ccc(F)c(N[C@@H](C)c2ccc(F)cn2)c1 ZINC000134104226 328633840 /nfs/dbraw/zinc/63/38/40/328633840.db2.gz VOEDHBWLAAYVKT-VIFPVBQESA-N 0 0 264.275 3.542 10 0 CHAERN Cc1cc(N[C@H](C)c2ccc(Cl)s2)nc(C)n1 ZINC000042240377 328762740 /nfs/dbraw/zinc/76/27/40/328762740.db2.gz YQHHFISSSBBMRX-MRVPVSSYSA-N 0 0 267.785 3.981 10 0 CHAERN Cc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1O ZINC000042253220 328763217 /nfs/dbraw/zinc/76/32/17/328763217.db2.gz AUFNUXXZSOHXHB-LLVKDONJSA-N 0 0 289.762 3.845 10 0 CHAERN CCCCCC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128929 328766032 /nfs/dbraw/zinc/76/60/32/328766032.db2.gz YRWJRJHDOWUVTF-UHFFFAOYSA-N 0 0 272.392 3.715 10 0 CHAERN COC[C@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 ZINC000103373971 328768350 /nfs/dbraw/zinc/76/83/50/328768350.db2.gz DUFOHONMSOOWND-NSHDSACASA-N 0 0 299.798 3.596 10 0 CHAERN COC[C@H](C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000103387030 328769815 /nfs/dbraw/zinc/76/98/15/328769815.db2.gz PMSZGALPMHQCCA-ZETCQYMHSA-N 0 0 276.163 3.523 10 0 CHAERN C[C@H](NC(=O)N(C)CC(F)F)c1ccc2ccccc2c1 ZINC000103596559 328770552 /nfs/dbraw/zinc/77/05/52/328770552.db2.gz LGQRZUOIUGUELC-NSHDSACASA-N 0 0 292.329 3.807 10 0 CHAERN O=C(c1ccc(F)cc1)N1CC=C(c2cccs2)CC1 ZINC000117719796 328942897 /nfs/dbraw/zinc/94/28/97/328942897.db2.gz JKAIRTAXIHUPOX-UHFFFAOYSA-N 0 0 287.359 3.817 10 0 CHAERN CC(C)c1n[nH]cc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000193749758 329061574 /nfs/dbraw/zinc/06/15/74/329061574.db2.gz QXAXXLWGADKWSM-LRDDRELGSA-N 0 0 297.402 3.902 10 0 CHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)Nc2ccncn2)cc1 ZINC000194119645 329065709 /nfs/dbraw/zinc/06/57/09/329065709.db2.gz VMCPWESJKUPIPT-CYBMUJFWSA-N 0 0 298.390 3.558 10 0 CHAERN CCC[C@@H]1C[C@H]1Nc1cc(Cl)nc(C2CC2)n1 ZINC000218053143 329066896 /nfs/dbraw/zinc/06/68/96/329066896.db2.gz FLTGKNGYWDWMPR-NXEZZACHSA-N 0 0 251.761 3.608 10 0 CHAERN CCc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632877 329067577 /nfs/dbraw/zinc/06/75/77/329067577.db2.gz XOWQHVMCJOALGZ-UHFFFAOYSA-N 0 0 293.326 3.551 10 0 CHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)C1CCCC1 ZINC000172122879 329081507 /nfs/dbraw/zinc/08/15/07/329081507.db2.gz AEEJVKAMYXHSTG-GXTWGEPZSA-N 0 0 276.380 3.705 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C2CCCC2)o1 ZINC000172182120 329082107 /nfs/dbraw/zinc/08/21/07/329082107.db2.gz NFAOKVNUCPTDFK-RYUDHWBXSA-N 0 0 264.369 3.527 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C2CCCC2)o1 ZINC000172182117 329082136 /nfs/dbraw/zinc/08/21/36/329082136.db2.gz NFAOKVNUCPTDFK-NWDGAFQWSA-N 0 0 264.369 3.527 10 0 CHAERN CCCCSCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000172362476 329135787 /nfs/dbraw/zinc/13/57/87/329135787.db2.gz GVIADQNMWQPLSF-AWEZNQCLSA-N 0 0 293.432 3.550 10 0 CHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)n1 ZINC000173414073 329146998 /nfs/dbraw/zinc/14/69/98/329146998.db2.gz QHABRASYJMGJSF-ZIAGYGMSSA-N 0 0 290.432 3.514 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccco2)o1 ZINC000173475290 329147273 /nfs/dbraw/zinc/14/72/73/329147273.db2.gz VZKHRIZKNUVRNQ-AWEZNQCLSA-N 0 0 288.347 3.618 10 0 CHAERN COc1ccc([C@H](C)C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000173732763 329147933 /nfs/dbraw/zinc/14/79/33/329147933.db2.gz VMKOJHRRCYFSQA-AWEZNQCLSA-N 0 0 287.403 3.591 10 0 CHAERN CCC[C@@H](C)CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173914179 329151130 /nfs/dbraw/zinc/15/11/30/329151130.db2.gz DXPLNSKSYDPWDY-HUUCEWRRSA-N 0 0 299.418 3.876 10 0 CHAERN CC(C)[C@H](C)CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176391835 329175339 /nfs/dbraw/zinc/17/53/39/329175339.db2.gz BBQUNPCDZOILRS-CHWSQXEVSA-N 0 0 295.452 3.672 10 0 CHAERN CCC1(C(=O)N2CC=C(c3ccccc3)CC2)CCC1 ZINC000176477818 329175792 /nfs/dbraw/zinc/17/57/92/329175792.db2.gz FUTNUZXOOXVNOX-UHFFFAOYSA-N 0 0 269.388 3.883 10 0 CHAERN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C=O)cc1 ZINC000176650751 329177871 /nfs/dbraw/zinc/17/78/71/329177871.db2.gz WARDVILXBLUNKB-KSSFIOAISA-N 0 0 293.366 3.517 10 0 CHAERN O=C(CCc1ccoc1)N1CC=C(c2ccccc2)CC1 ZINC000177054767 329178713 /nfs/dbraw/zinc/17/87/13/329178713.db2.gz WJQOIKBMEMYVNL-UHFFFAOYSA-N 0 0 281.355 3.528 10 0 CHAERN Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cnn1C ZINC000177254580 329182569 /nfs/dbraw/zinc/18/25/69/329182569.db2.gz VOGXDCXPCVMSJD-HOTGVXAUSA-N 0 0 297.402 3.594 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)c1O ZINC000178774275 329200522 /nfs/dbraw/zinc/20/05/22/329200522.db2.gz ODWDMNUQSJKVQQ-APPDUMDISA-N 0 0 297.354 3.512 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccccc2Br)o1 ZINC000220925534 329203948 /nfs/dbraw/zinc/20/39/48/329203948.db2.gz HHZSJNFMIGGLLN-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN Cc1nscc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000179493828 329209061 /nfs/dbraw/zinc/20/90/61/329209061.db2.gz AIQHOQGXXHHHSN-QMMMGPOBSA-N 0 0 280.780 3.596 10 0 CHAERN Cc1ccn(-c2ccccc2N[C@@H](C)c2ccccn2)n1 ZINC000179603977 329210401 /nfs/dbraw/zinc/21/04/01/329210401.db2.gz SGOQBCMNRYYWEU-AWEZNQCLSA-N 0 0 278.359 3.749 10 0 CHAERN O=C1CCCc2cc(NC(C3CC3)C3CC3)ccc2N1 ZINC000179812385 329212585 /nfs/dbraw/zinc/21/25/85/329212585.db2.gz XQNXAKBHWRFYCK-UHFFFAOYSA-N 0 0 270.376 3.562 10 0 CHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1nccs1 ZINC000179811531 329212587 /nfs/dbraw/zinc/21/25/87/329212587.db2.gz DWTVZYPMWBEZGL-JTQLQIEISA-N 0 0 287.388 3.591 10 0 CHAERN COCc1csc(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000180564542 329220787 /nfs/dbraw/zinc/22/07/87/329220787.db2.gz ASLVEDULXBGMPA-WDEREUQCSA-N 0 0 296.436 3.690 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccoc1)[C@@H](C)C2 ZINC000181252713 329228009 /nfs/dbraw/zinc/22/80/09/329228009.db2.gz KNXIPFDERHPTOI-UGSOOPFHSA-N 0 0 283.371 3.570 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182195076 329240411 /nfs/dbraw/zinc/24/04/11/329240411.db2.gz AIUGQBSGEQXWCX-FMKPAKJESA-N 0 0 274.408 3.673 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)c2cccc(O)c2)c2ccccc21 ZINC000182894539 329245830 /nfs/dbraw/zinc/24/58/30/329245830.db2.gz HQYBULJQWDXNQP-SJCJKPOMSA-N 0 0 281.355 3.761 10 0 CHAERN C[C@H]1C[C@@H](C(=O)Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000183607534 329251268 /nfs/dbraw/zinc/25/12/68/329251268.db2.gz MRJSOJNIYPWJMH-GXTWGEPZSA-N 0 0 275.392 3.580 10 0 CHAERN Cc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)nc1 ZINC000184227084 329258095 /nfs/dbraw/zinc/25/80/95/329258095.db2.gz XWCOLANKVMOJKM-UHFFFAOYSA-N 0 0 299.399 3.773 10 0 CHAERN C[C@@H](CSC(C)(C)C)Nc1cccc2c1OCC[C@@H]2O ZINC000184569598 329259873 /nfs/dbraw/zinc/25/98/73/329259873.db2.gz GPOBRYWOMKEURF-FZMZJTMJSA-N 0 0 295.448 3.835 10 0 CHAERN Cc1oc2ccccc2c1C(=O)N[C@@H]1COc2ccccc21 ZINC000185337607 329270729 /nfs/dbraw/zinc/27/07/29/329270729.db2.gz IHLZLDMMEPZTKM-CQSZACIVSA-N 0 0 293.322 3.605 10 0 CHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCC2(CC2)C1 ZINC000185410504 329273148 /nfs/dbraw/zinc/27/31/48/329273148.db2.gz BOYLYMXLCZLXLW-HUUCEWRRSA-N 0 0 261.409 3.605 10 0 CHAERN CN(Cc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185851761 329333284 /nfs/dbraw/zinc/33/32/84/329333284.db2.gz UUCCHQUXCMRDPG-HNNXBMFYSA-N 0 0 284.359 3.669 10 0 CHAERN C[C@H](NC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1)c1cccc(O)c1 ZINC000186183061 329339074 /nfs/dbraw/zinc/33/90/74/329339074.db2.gz ACEPFENKXWRGIX-PWNZVWSESA-N 0 0 290.407 3.577 10 0 CHAERN CCO[C@H]1C[C@H](Nc2cccc(F)c2C)C12CCOCC2 ZINC000186478692 329343043 /nfs/dbraw/zinc/34/30/43/329343043.db2.gz PWZXKVMJZXJBNW-HOTGVXAUSA-N 0 0 293.382 3.520 10 0 CHAERN CN1Cc2cc(NC3CCCCCC3)ccc2NC1=O ZINC000187471391 329357852 /nfs/dbraw/zinc/35/78/52/329357852.db2.gz UMFPNAGQZAHCTP-UHFFFAOYSA-N 0 0 273.380 3.799 10 0 CHAERN Cc1nn(C)cc1N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000187603706 329359701 /nfs/dbraw/zinc/35/97/01/329359701.db2.gz RMWMXSPPIWVXTN-LBPRGKRZSA-N 0 0 282.347 3.557 10 0 CHAERN Cc1nn(C)cc1N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000187603722 329359930 /nfs/dbraw/zinc/35/99/30/329359930.db2.gz RMWMXSPPIWVXTN-GFCCVEGCSA-N 0 0 282.347 3.557 10 0 CHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccsc1Cl ZINC000187822023 329360906 /nfs/dbraw/zinc/36/09/06/329360906.db2.gz FUKUUISUOOLBNJ-PELKAZGASA-N 0 0 293.775 3.905 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)c(C)c2)o1 ZINC000063060664 329363364 /nfs/dbraw/zinc/36/33/64/329363364.db2.gz MKMMFLRPGOAKOW-NSHDSACASA-N 0 0 261.296 3.527 10 0 CHAERN CSC1(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000188422612 329368499 /nfs/dbraw/zinc/36/84/99/329368499.db2.gz JJVLDXCWGJQCRB-BXUZGUMPSA-N 0 0 275.417 3.637 10 0 CHAERN CCc1ccccc1CC(=O)N1CCC[C@H]1c1ccco1 ZINC000188418144 329368513 /nfs/dbraw/zinc/36/85/13/329368513.db2.gz BHXUPPYUIYKNIZ-INIZCTEOSA-N 0 0 283.371 3.748 10 0 CHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccsc1 ZINC000189743774 329387885 /nfs/dbraw/zinc/38/78/85/329387885.db2.gz VROOUUDEVRDKOK-ZDUSSCGKSA-N 0 0 288.372 3.702 10 0 CHAERN O=C(C1CCCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189803201 329389088 /nfs/dbraw/zinc/38/90/88/329389088.db2.gz LHALBJUTZBRBTD-UHFFFAOYSA-N 0 0 299.414 3.662 10 0 CHAERN CC(C)(C)Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190377457 329395635 /nfs/dbraw/zinc/39/56/35/329395635.db2.gz SLYRUXHSLJMULO-JQWIXIFHSA-N 0 0 266.385 3.577 10 0 CHAERN CC[C@H](C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000190518678 329398819 /nfs/dbraw/zinc/39/88/19/329398819.db2.gz YQTNSAMAOHSRLN-AWEZNQCLSA-N 0 0 257.377 3.739 10 0 CHAERN CC(=O)c1ccc(N[C@H]2CCOc3c(C)cccc32)nc1 ZINC000191782909 329420253 /nfs/dbraw/zinc/42/02/53/329420253.db2.gz IIRQIXHAAJHTOS-HNNXBMFYSA-N 0 0 282.343 3.528 10 0 CHAERN C[C@@H](NCc1nc(C2CC2)no1)c1ccc(Cl)s1 ZINC000193114169 329437460 /nfs/dbraw/zinc/43/74/60/329437460.db2.gz KBHZGGVFTCHLEG-SSDOTTSWSA-N 0 0 283.784 3.513 10 0 CHAERN Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116045542 329544361 /nfs/dbraw/zinc/54/43/61/329544361.db2.gz PTMRVLUSAXRNBA-MRXNPFEDSA-N 0 0 283.371 3.803 10 0 CHAERN CCn1ccnc1CSCc1cnn(-c2ccccc2)c1 ZINC000124971271 329575920 /nfs/dbraw/zinc/57/59/20/329575920.db2.gz PTRSUJQRVGJLPR-UHFFFAOYSA-N 0 0 298.415 3.522 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccs2)o1 ZINC000127541291 329600399 /nfs/dbraw/zinc/60/03/99/329600399.db2.gz BTDOEWMCWLEQOU-AWEZNQCLSA-N 0 0 289.400 3.946 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)CC)o1 ZINC000128560127 329609416 /nfs/dbraw/zinc/60/94/16/329609416.db2.gz GKOUDNCWLPOBGP-OCCSQVGLSA-N 0 0 263.381 3.942 10 0 CHAERN CC[C@@H](C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129936942 329621250 /nfs/dbraw/zinc/62/12/50/329621250.db2.gz KEQITGZIDMIMOP-UKRRQHHQSA-N 0 0 287.403 3.985 10 0 CHAERN C[C@H](NC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1 ZINC000049029136 329634201 /nfs/dbraw/zinc/63/42/01/329634201.db2.gz JJNJGRGPKIVWAT-VIFPVBQESA-N 0 0 293.729 3.757 10 0 CHAERN C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1ncc[nH]1 ZINC000139000615 329678687 /nfs/dbraw/zinc/67/86/87/329678687.db2.gz XSXFNUXZTLEIRJ-VHSXEESVSA-N 0 0 294.196 3.584 10 0 CHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000246813244 329870864 /nfs/dbraw/zinc/87/08/64/329870864.db2.gz IXTDKOMENVRFJV-RDBSUJKOSA-N 0 0 261.365 3.769 10 0 CHAERN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC(c2ccsc2)CC1 ZINC000249108471 329904812 /nfs/dbraw/zinc/90/48/12/329904812.db2.gz AASWRQJITIQISA-ZSHCYNCHSA-N 0 0 289.444 3.890 10 0 CHAERN CC[C@H](C)CC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000249710494 329909421 /nfs/dbraw/zinc/90/94/21/329909421.db2.gz XWOUUOXVAMIBLD-SQWLQELKSA-N 0 0 289.419 3.836 10 0 CHAERN CCn1ncc2ccc(N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc21 ZINC000252734076 329946075 /nfs/dbraw/zinc/94/60/75/329946075.db2.gz SDSKCQRNDYBPPN-USXIJHARSA-N 0 0 299.418 3.672 10 0 CHAERN C[C@@H](c1cccc(F)c1)N1CCCc2c(N)cccc21 ZINC000261703515 329978756 /nfs/dbraw/zinc/97/87/56/329978756.db2.gz CQYMLAIQLBQZSW-LBPRGKRZSA-N 0 0 270.351 3.922 10 0 CHAERN COc1cccc([C@@H](C)N2CCCc3c(N)cccc32)c1 ZINC000261903998 329988436 /nfs/dbraw/zinc/98/84/36/329988436.db2.gz WRTVXUYLCFVZHA-CYBMUJFWSA-N 0 0 282.387 3.791 10 0 CHAERN CSc1ccc([C@H](C)[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000263437119 330055814 /nfs/dbraw/zinc/05/58/14/330055814.db2.gz UZHUVXOGHYHQPO-GWCFXTLKSA-N 0 0 297.395 3.548 10 0 CHAERN Cc1cncc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000079727106 330056723 /nfs/dbraw/zinc/05/67/23/330056723.db2.gz XQGZTBHNBFJTTG-JTQLQIEISA-N 0 0 292.741 3.674 10 0 CHAERN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCN2 ZINC000036895702 330310934 /nfs/dbraw/zinc/31/09/34/330310934.db2.gz LJRPMZIEWYNOQP-UHFFFAOYSA-N 0 0 286.762 3.869 10 0 CHAERN CCC(F)(F)C(C)(C)CNc1nccnc1C(C)C ZINC000528182639 330314113 /nfs/dbraw/zinc/31/41/13/330314113.db2.gz PQHDSKMGYKRZFN-UHFFFAOYSA-N 0 0 271.355 3.505 10 0 CHAERN CCC1CCC(NC(=O)[C@@H](C)Sc2ccccn2)CC1 ZINC000084968016 330363639 /nfs/dbraw/zinc/36/36/39/330363639.db2.gz MSFXOJRWTCMTBF-IYXRBSQSSA-N 0 0 292.448 3.647 10 0 CHAERN C[C@H](NC(=O)NC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000056517364 330368593 /nfs/dbraw/zinc/36/85/93/330368593.db2.gz QOIWKWUFJFKZLC-VIFPVBQESA-N 0 0 284.762 3.782 10 0 CHAERN CCC[C@@](C)(O)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000119813901 330380045 /nfs/dbraw/zinc/38/00/45/330380045.db2.gz AMSDOYYBBOCVOV-FZKQIMNGSA-N 0 0 285.387 3.568 10 0 CHAERN O=Cc1ccc(-c2cc(Br)cs2)cc1 ZINC000084168750 330381552 /nfs/dbraw/zinc/38/15/52/330381552.db2.gz USNCJYKJZUMSFB-UHFFFAOYSA-N 0 0 267.147 3.990 10 0 CHAERN CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000120206084 330386281 /nfs/dbraw/zinc/38/62/81/330386281.db2.gz GEJBFYBJHBJFTF-KBPBESRZSA-N 0 0 278.396 3.871 10 0 CHAERN CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000120206256 330386302 /nfs/dbraw/zinc/38/63/02/330386302.db2.gz GEJBFYBJHBJFTF-ZIAGYGMSSA-N 0 0 278.396 3.871 10 0 CHAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)c(Sc2ccccc2)n1 ZINC000120233251 330386422 /nfs/dbraw/zinc/38/64/22/330386422.db2.gz PLWMUWDNDQFTQG-NHYWBVRUSA-N 0 0 298.411 3.679 10 0 CHAERN Cc1ccccc1C(C)(C)C(=O)N[C@H]1COc2ccccc21 ZINC000058730449 330391073 /nfs/dbraw/zinc/39/10/73/330391073.db2.gz IKTSPGGRIYHPMT-INIZCTEOSA-N 0 0 295.382 3.523 10 0 CHAERN CCC[C@@H](N[C@H](C)c1ccc(C)c(F)c1)C(=O)OCC ZINC000149133276 330573863 /nfs/dbraw/zinc/57/38/63/330573863.db2.gz LIWGUBMCGCHTDJ-IUODEOHRSA-N 0 0 281.371 3.517 10 0 CHAERN CCC(=O)Nc1ccc(C)c(N[C@H](C)c2cncs2)c1 ZINC000164930142 331305484 /nfs/dbraw/zinc/30/54/84/331305484.db2.gz VKZFTJLURBYMIG-LLVKDONJSA-N 0 0 289.404 3.973 10 0 CHAERN C[C@H](Nc1cc2c(cc1Cl)OCCO2)c1cncs1 ZINC000165353567 331306115 /nfs/dbraw/zinc/30/61/15/331306115.db2.gz QJNLILAALDNLTC-QMMMGPOBSA-N 0 0 296.779 3.741 10 0 CHAERN CC(C)(C)[C@H](O)COc1cccc(Cl)c1Cl ZINC000304282987 332969070 /nfs/dbraw/zinc/96/90/70/332969070.db2.gz XQFJKGJZMYIRHK-SNVBAGLBSA-N 0 0 263.164 3.779 10 0 CHAERN C[C@@H](NC(=O)NCCC1CC1)c1ccc(F)c(Cl)c1 ZINC000175862044 333035573 /nfs/dbraw/zinc/03/55/73/333035573.db2.gz NMIBKDIGRCGUSH-SECBINFHSA-N 0 0 284.762 3.639 10 0 CHAERN CC[C@H](SCc1nnnn1C(C)C)c1ccccc1 ZINC000176901394 333050083 /nfs/dbraw/zinc/05/00/83/333050083.db2.gz NTTYODAEJBZFQL-ZDUSSCGKSA-N 0 0 276.409 3.639 10 0 CHAERN CCC[C@@H]1C[C@H]1NC(=O)c1c(C)cccc1Br ZINC000310523335 333059269 /nfs/dbraw/zinc/05/92/69/333059269.db2.gz XILNZLUHYNFCFD-ZYHUDNBSSA-N 0 0 296.208 3.676 10 0 CHAERN CCC1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000088733187 333091687 /nfs/dbraw/zinc/09/16/87/333091687.db2.gz JIARIQQASNWKPT-UHFFFAOYSA-N 0 0 270.376 3.867 10 0 CHAERN Cc1ccc(CO)cc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000182833098 333117833 /nfs/dbraw/zinc/11/78/33/333117833.db2.gz ARUIVEIQYRSIJO-IUODEOHRSA-N 0 0 289.419 3.888 10 0 CHAERN C[C@H]1C[C@H](C(=O)NCCc2ccccc2O)CC(C)(C)C1 ZINC000183310714 333120086 /nfs/dbraw/zinc/12/00/86/333120086.db2.gz VTYYULUFPCSZOJ-ZFWWWQNUSA-N 0 0 289.419 3.513 10 0 CHAERN C[C@H]1C[C@@H](C(=O)NCCc2ccccc2O)CC(C)(C)C1 ZINC000183310749 333120186 /nfs/dbraw/zinc/12/01/86/333120186.db2.gz VTYYULUFPCSZOJ-DZGCQCFKSA-N 0 0 289.419 3.513 10 0 CHAERN CCCCCSc1ccc(C(=O)OCC)cn1 ZINC000219324303 333146767 /nfs/dbraw/zinc/14/67/67/333146767.db2.gz RCWMPGIYMDFHAQ-UHFFFAOYSA-N 0 0 253.367 3.541 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1C=CCCC1 ZINC000186184789 333156351 /nfs/dbraw/zinc/15/63/51/333156351.db2.gz NPBATVDOZZHGBU-LSDHHAIUSA-N 0 0 257.377 3.919 10 0 CHAERN C[C@H](N[C@@H](CO)c1ccccc1)c1cccc(Cl)c1F ZINC000187410825 333170521 /nfs/dbraw/zinc/17/05/21/333170521.db2.gz LQXSHPOKIDVROE-NHYWBVRUSA-N 0 0 293.769 3.863 10 0 CHAERN O=C(N[C@H]1CCOc2ccccc21)c1csc(Cl)c1 ZINC000188997525 333177522 /nfs/dbraw/zinc/17/75/22/333177522.db2.gz NLMRQGNLAFERQR-NSHDSACASA-N 0 0 293.775 3.655 10 0 CHAERN CC(C)c1cccc(N(C)C(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000190111660 333203218 /nfs/dbraw/zinc/20/32/18/333203218.db2.gz AABPAMYVMFVYOX-CJNGLKHVSA-N 0 0 275.392 3.588 10 0 CHAERN C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc2ccccc2c1 ZINC000190621185 333209026 /nfs/dbraw/zinc/20/90/26/333209026.db2.gz LRQRYNPSEDLNRG-DEYYWGMASA-N 0 0 297.398 3.832 10 0 CHAERN Cc1nc(CN[C@@H](C)c2ccc(C)c(C)c2)oc1C ZINC000223650030 333210416 /nfs/dbraw/zinc/21/04/16/333210416.db2.gz KETUKHATHDWWSH-ZDUSSCGKSA-N 0 0 258.365 3.759 10 0 CHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000191835613 333226007 /nfs/dbraw/zinc/22/60/07/333226007.db2.gz RFNXFWYHLMBTHA-QWHCGFSZSA-N 0 0 275.392 3.738 10 0 CHAERN Cc1cc([C@@]2(O)CCC[C@H]2C)ccc1Br ZINC000521400584 333250030 /nfs/dbraw/zinc/25/00/30/333250030.db2.gz BCVQXNFDCZYMTE-ZWNOBZJWSA-N 0 0 269.182 3.765 10 0 CHAERN O=C(Cc1ccc(Cl)s1)N1CCC[C@H]1c1ccco1 ZINC000193647968 333254819 /nfs/dbraw/zinc/25/48/19/333254819.db2.gz HRZDRKTVSUXQDS-NSHDSACASA-N 0 0 295.791 3.901 10 0 CHAERN CSc1ccccc1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000194100937 333265527 /nfs/dbraw/zinc/26/55/27/333265527.db2.gz CDFOBVPTTAOSED-LLVKDONJSA-N 0 0 275.373 3.801 10 0 CHAERN CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000194161654 333266543 /nfs/dbraw/zinc/26/65/43/333266543.db2.gz FMOVNXVMEGIJDX-CABCVRRESA-N 0 0 287.403 3.843 10 0 CHAERN Brc1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000228852051 333297772 /nfs/dbraw/zinc/29/77/72/333297772.db2.gz PGCFRPTZZLLTMH-ZYHUDNBSSA-N 0 0 281.197 3.613 10 0 CHAERN Cc1cnc([C@H](C)Nc2ccnc(Cl)c2)s1 ZINC000229735940 333308798 /nfs/dbraw/zinc/30/87/98/333308798.db2.gz VSRKGKQZOBKYRM-QMMMGPOBSA-N 0 0 253.758 3.673 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(Br)c1 ZINC000230041694 333312464 /nfs/dbraw/zinc/31/24/64/333312464.db2.gz DPQWLCJMDRQSNY-CABZTGNLSA-N 0 0 282.181 3.824 10 0 CHAERN Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C)ncc1Br ZINC000230058720 333312631 /nfs/dbraw/zinc/31/26/31/333312631.db2.gz OJKBMRYJODPUBR-WCBMZHEXSA-N 0 0 297.196 3.527 10 0 CHAERN Cc1cnc([C@@H](C)NCc2cccc(C(F)F)c2)o1 ZINC000232004943 333332664 /nfs/dbraw/zinc/33/26/64/333332664.db2.gz BPHOLQIPFLWYJG-SNVBAGLBSA-N 0 0 266.291 3.771 10 0 CHAERN Cc1cc(C)cc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000053961622 333420892 /nfs/dbraw/zinc/42/08/92/333420892.db2.gz MZKZXDJMRYKQRF-INIZCTEOSA-N 0 0 296.370 3.949 10 0 CHAERN CCc1ccc([C@H](C)NC(=O)Nc2ccccn2)cc1 ZINC000049787028 333420958 /nfs/dbraw/zinc/42/09/58/333420958.db2.gz PPWZGSZNDHAYGI-LBPRGKRZSA-N 0 0 269.348 3.527 10 0 CHAERN CC(C)C[C@H](C)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000037033027 333465942 /nfs/dbraw/zinc/46/59/42/333465942.db2.gz WHQWFTHGUDDAMA-NSHDSACASA-N 0 0 282.815 3.888 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)OC2CCCCCC2)o1 ZINC000123361664 333479883 /nfs/dbraw/zinc/47/98/83/333479883.db2.gz UHUAULLIVMNQHP-UONOGXRCSA-N 0 0 293.407 3.893 10 0 CHAERN COC(=O)c1cccc(N[C@H]2CCc3ccccc32)c1 ZINC000037307877 333531844 /nfs/dbraw/zinc/53/18/44/333531844.db2.gz LYOQDBYJARIUQV-INIZCTEOSA-N 0 0 267.328 3.573 10 0 CHAERN Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1Cl ZINC000037322994 333531991 /nfs/dbraw/zinc/53/19/91/333531991.db2.gz YQNCRRRDLZOPLC-UHFFFAOYSA-N 0 0 286.762 3.869 10 0 CHAERN CCC(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000125600900 333568162 /nfs/dbraw/zinc/56/81/62/333568162.db2.gz AJMZBVRWGZUKEG-ZDUSSCGKSA-N 0 0 263.381 3.699 10 0 CHAERN CCN(CC)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000126803540 333609107 /nfs/dbraw/zinc/60/91/07/333609107.db2.gz FKXSVFKVPWIYAF-CVEARBPZSA-N 0 0 259.393 3.782 10 0 CHAERN Cc1cc(Br)cc(NC(=O)C2CC(C)C2)c1 ZINC000547605176 334102291 /nfs/dbraw/zinc/10/22/91/334102291.db2.gz BQLOTIJTLBSVCS-UHFFFAOYSA-N 0 0 282.181 3.742 10 0 CHAERN CCC1(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000078355221 334131898 /nfs/dbraw/zinc/13/18/98/334131898.db2.gz ROBGOXKSEKYRPO-JTQLQIEISA-N 0 0 282.334 3.515 10 0 CHAERN CCc1onc(C)c1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245638812 334209683 /nfs/dbraw/zinc/20/96/83/334209683.db2.gz WSFGBHZZPGAMSN-KGYLQXTDSA-N 0 0 291.395 3.730 10 0 CHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@@H]1C ZINC000245966372 334225798 /nfs/dbraw/zinc/22/57/98/334225798.db2.gz VPGAYPGWKPITRZ-UVLXDEKHSA-N 0 0 293.357 3.573 10 0 CHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246613155 334265384 /nfs/dbraw/zinc/26/53/84/334265384.db2.gz CJWWIDJXHWBFKX-KOCKLMIUSA-N 0 0 284.186 3.622 10 0 CHAERN CCC(C)(C)NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC000248268413 334297738 /nfs/dbraw/zinc/29/77/38/334297738.db2.gz PFVFUWVPTWCOJW-GFCCVEGCSA-N 0 0 296.842 3.638 10 0 CHAERN CO[C@@H](C)CN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000248454498 334302517 /nfs/dbraw/zinc/30/25/17/334302517.db2.gz ZKUYSTSDMYFTCM-WFASDCNBSA-N 0 0 297.826 3.527 10 0 CHAERN Clc1ccsc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000248733023 334315144 /nfs/dbraw/zinc/31/51/44/334315144.db2.gz MJQXXEYYSFGSJN-NEPJUHHUSA-N 0 0 271.813 3.545 10 0 CHAERN CCCC[C@@H](CC)CN1CCO[C@@H](c2nccs2)C1 ZINC000248872486 334320174 /nfs/dbraw/zinc/32/01/74/334320174.db2.gz KVCQCNZZHBBXBA-ZIAGYGMSSA-N 0 0 282.453 3.733 10 0 CHAERN CC(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000249293555 334331663 /nfs/dbraw/zinc/33/16/63/334331663.db2.gz BMOOYMMBOMXQIT-JYJNAYRXSA-N 0 0 281.440 3.619 10 0 CHAERN C[C@@H](N[C@H](Cc1ccccc1)C(F)(F)F)C1CCC1 ZINC000090456426 334361399 /nfs/dbraw/zinc/36/13/99/334361399.db2.gz BRYYLHKJCOECJO-BXUZGUMPSA-N 0 0 271.326 3.938 10 0 CHAERN Cc1n[nH]c2cc(NC(=O)c3cccc4[nH]ccc43)ccc12 ZINC000091827123 334384066 /nfs/dbraw/zinc/38/40/66/334384066.db2.gz LYXMBGYNCFQGQG-UHFFFAOYSA-N 0 0 290.326 3.605 10 0 CHAERN O=C(N[C@H]1CCCc2ccccc21)C(C1CC1)C1CC1 ZINC000163100579 334495682 /nfs/dbraw/zinc/49/56/82/334495682.db2.gz XUHWJEQHESZALZ-INIZCTEOSA-N 0 0 269.388 3.616 10 0 CHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1cc(Cl)c[nH]1 ZINC000153207905 334570621 /nfs/dbraw/zinc/57/06/21/334570621.db2.gz KQGFHNWRJFAMEZ-ZDUSSCGKSA-N 0 0 292.741 3.615 10 0 CHAERN Cc1cc(NC(=O)N[C@H]2CC[C@H](C)c3ccccc32)no1 ZINC000154254118 334691623 /nfs/dbraw/zinc/69/16/23/334691623.db2.gz NJEHAWADVFJNEJ-HZMBPMFUSA-N 0 0 285.347 3.743 10 0 CHAERN COc1ccc([C@@H](C)C(=O)N[C@@H]2CCCCC2(C)C)cc1 ZINC000157212802 334763798 /nfs/dbraw/zinc/76/37/98/334763798.db2.gz BUCCWQCVMAZZNC-CZUORRHYSA-N 0 0 289.419 3.884 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC000163577634 334870492 /nfs/dbraw/zinc/87/04/92/334870492.db2.gz SDOWLDHUWRVXOE-CABCVRRESA-N 0 0 267.372 3.976 10 0 CHAERN CC(C)OCCCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000183193868 335874940 /nfs/dbraw/zinc/87/49/40/335874940.db2.gz CDTRULAGCPUUDC-PBHICJAKSA-N 0 0 289.419 3.946 10 0 CHAERN CCc1nnc(CSCC2CCCCCC2)n1C ZINC000184510938 335927885 /nfs/dbraw/zinc/92/78/85/335927885.db2.gz WBJQATZAMGOYTI-UHFFFAOYSA-N 0 0 267.442 3.581 10 0 CHAERN CC(C)c1nnc(CNc2cc(Cl)cc(Cl)c2)n1C ZINC000194982167 336041778 /nfs/dbraw/zinc/04/17/78/336041778.db2.gz UQZCVRZMXKXNPS-UHFFFAOYSA-N 0 0 299.205 3.857 10 0 CHAERN Cn1c(CNc2cccc(Cl)c2Cl)nnc1C1CC1 ZINC000194987188 336041983 /nfs/dbraw/zinc/04/19/83/336041983.db2.gz WAZYBPHIAWBVFW-UHFFFAOYSA-N 0 0 297.189 3.611 10 0 CHAERN CC(C)CCCOCc1cc2ccccc2nc1N ZINC000050832322 519642640 /nfs/dbraw/zinc/64/26/40/519642640.db2.gz QLFCCMMTDCIZGQ-UHFFFAOYSA-N 0 0 258.365 3.770 10 0 CHAERN CC(C)[C@H](Cc1ccc(C(F)(F)F)cc1)[C@@H](C)O ZINC000061688777 519816689 /nfs/dbraw/zinc/81/66/89/519816689.db2.gz QFQNSADKVWMWLN-MFKMUULPSA-N 0 0 260.299 3.901 10 0 CHAERN CCCC1CCN(c2cccc(F)c2[C@@H](C)O)CC1 ZINC000050894092 519904351 /nfs/dbraw/zinc/90/43/51/519904351.db2.gz XBINTDVANDJQQO-GFCCVEGCSA-N 0 0 265.372 3.896 10 0 CHAERN CCCN[C@H](c1cc(Cl)ccc1Cl)c1ncccn1 ZINC000055224950 520087882 /nfs/dbraw/zinc/08/78/82/520087882.db2.gz XEGQBZPDWVZHEK-CYBMUJFWSA-N 0 0 296.201 3.872 10 0 CHAERN CCNc1ccc(CO[C@H]2CCCC[C@@H]2CC)cn1 ZINC000050831464 520303669 /nfs/dbraw/zinc/30/36/69/520303669.db2.gz JJRBPWPLOYGWMB-GJZGRUSLSA-N 0 0 262.397 3.999 10 0 CHAERN CCOc1cccc(C(=O)c2cc(F)ccc2F)c1 ZINC000055242873 521325480 /nfs/dbraw/zinc/32/54/80/521325480.db2.gz JYLAYOHZOBLVHP-UHFFFAOYSA-N 0 0 262.255 3.595 10 0 CHAERN CCOc1cccc(C(=O)c2ccc(F)c(F)c2)c1 ZINC000055237162 521326143 /nfs/dbraw/zinc/32/61/43/521326143.db2.gz SWENUYRPOLLANY-UHFFFAOYSA-N 0 0 262.255 3.595 10 0 CHAERN CCC[C@@H](c1cccs1)N1C(=S)N=NC1CCC ZINC000049546397 521570335 /nfs/dbraw/zinc/57/03/35/521570335.db2.gz IVBRJHITSIXINE-JTQLQIEISA-N 0 0 281.450 3.970 10 0 CHAERN COc1c(C)cnc(CNc2ccc3c(c2)CCC3)c1C ZINC000020048723 518126987 /nfs/dbraw/zinc/12/69/87/518126987.db2.gz URTBYYFRFORAMW-UHFFFAOYSA-N 0 0 282.387 3.808 10 0 CHAERN CC(C)(C)c1ccc(N2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC000054603032 519034268 /nfs/dbraw/zinc/03/42/68/519034268.db2.gz NAXFIHLVVYNQDB-GASCZTMLSA-N 0 0 257.377 3.684 10 0 CHAERN CC(C)(C)c1ccc(SCc2nnsc2N)cc1 ZINC000050837775 519047245 /nfs/dbraw/zinc/04/72/45/519047245.db2.gz RZVTUOFSDDZYHZ-UHFFFAOYSA-N 0 0 279.434 3.710 10 0 CHAERN CC(C)=C(F)C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000151059879 519388946 /nfs/dbraw/zinc/38/89/46/519388946.db2.gz TWFHWDLGTYTKLX-NEPJUHHUSA-N 0 0 265.328 3.843 10 0 CHAERN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000191644128 519824163 /nfs/dbraw/zinc/82/41/63/519824163.db2.gz IICBQKQWJFIENZ-BHYGNILZSA-N 0 0 289.419 3.657 10 0 CHAERN CC(C)c1cc(N)nc(-c2ccc(Cl)c(F)c2)n1 ZINC000050867085 519832912 /nfs/dbraw/zinc/83/29/12/519832912.db2.gz JKFDZCAXLUTWBS-UHFFFAOYSA-N 0 0 265.719 3.642 10 0 CHAERN CC(C)c1cc(N)c2cccc(OC(F)F)c2n1 ZINC000050870816 519833039 /nfs/dbraw/zinc/83/30/39/519833039.db2.gz XXYJHBSSNJNIRH-UHFFFAOYSA-N 0 0 252.264 3.542 10 0 CHAERN CC(C)c1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000139043335 519839968 /nfs/dbraw/zinc/83/99/68/519839968.db2.gz UKWSKWZCENOIKS-STQMWFEESA-N 0 0 257.381 3.945 10 0 CHAERN CC(C)c1csc([C@@H](N)c2cc(F)c(F)c(F)c2)n1 ZINC000062719440 519856696 /nfs/dbraw/zinc/85/66/96/519856696.db2.gz HIEVXNBSNLQKDK-LBPRGKRZSA-N 0 0 286.322 3.732 10 0 CHAERN CCC1CCC(Nc2nnc(C(F)F)s2)CC1 ZINC000310231959 519857324 /nfs/dbraw/zinc/85/73/24/519857324.db2.gz ZHABNWDZMDVXRJ-UHFFFAOYSA-N 0 0 261.341 3.856 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2C[C@H]2CC=CCC2)no1 ZINC000127769864 519867136 /nfs/dbraw/zinc/86/71/36/519867136.db2.gz FLBLOFRUXUNUJT-KBPBESRZSA-N 0 0 275.396 3.686 10 0 CHAERN CCCC1CCN(c2ccc3scnc3c2N)CC1 ZINC000050893725 519904067 /nfs/dbraw/zinc/90/40/67/519904067.db2.gz UFDMNBSQIBAANQ-UHFFFAOYSA-N 0 0 275.421 3.895 10 0 CHAERN CCCC1CCN(c2ccc([C@H](C)O)cc2F)CC1 ZINC000050894087 519904242 /nfs/dbraw/zinc/90/42/42/519904242.db2.gz MFWXUXYJPLLISZ-LBPRGKRZSA-N 0 0 265.372 3.896 10 0 CHAERN CCN(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000056942651 519975889 /nfs/dbraw/zinc/97/58/89/519975889.db2.gz QBYMRPJMTOSHGO-VIFPVBQESA-N 0 0 284.762 3.734 10 0 CHAERN CCCCCC[NH+](CCCCCC)CCC(=O)[O-] ZINC000058840440 520075544 /nfs/dbraw/zinc/07/55/44/520075544.db2.gz SLZGCCNUOSPYMJ-UHFFFAOYSA-N 0 0 257.418 3.924 10 0 CHAERN CCCCCCOc1cccc(Cl)c1C(N)=S ZINC000052908449 520107369 /nfs/dbraw/zinc/10/73/69/520107369.db2.gz ZFGLMIVFIJDDRQ-UHFFFAOYSA-N 0 0 271.813 3.933 10 0 CHAERN CCCNc1ccnc(-c2ccc(Br)cc2)n1 ZINC000050863940 520183235 /nfs/dbraw/zinc/18/32/35/520183235.db2.gz YWHGJKLXNSHMME-UHFFFAOYSA-N 0 0 292.180 3.728 10 0 CHAERN CCN[C@H](c1nc(C)cs1)c1cc(F)c(F)c(F)c1 ZINC000062719651 520211890 /nfs/dbraw/zinc/21/18/90/520211890.db2.gz VUFKZVVKGHZMGP-LBPRGKRZSA-N 0 0 286.322 3.568 10 0 CHAERN CC1(C)CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000112685415 520323910 /nfs/dbraw/zinc/32/39/10/520323910.db2.gz DRGFWCPBOIJYEA-CHWSQXEVSA-N 0 0 293.357 3.717 10 0 CHAERN CC1(C)CCCN1C(=O)c1csc(-c2cccs2)n1 ZINC000102919165 520333077 /nfs/dbraw/zinc/33/30/77/520333077.db2.gz UUIRRHREXWYSJR-UHFFFAOYSA-N 0 0 292.429 3.886 10 0 CHAERN CCNc1nc(-c2nc3ccccc3s2)cs1 ZINC000058659980 520351771 /nfs/dbraw/zinc/35/17/71/520351771.db2.gz HKQQJYGGIDHJCT-UHFFFAOYSA-N 0 0 261.375 3.852 10 0 CHAERN CCNc1snnc1CSc1ccccc1Cl ZINC000050834040 520388502 /nfs/dbraw/zinc/38/85/02/520388502.db2.gz RFMRIDAKSSXUBJ-UHFFFAOYSA-N 0 0 285.825 3.916 10 0 CHAERN CCCOc1ccc([C@@H](O)c2ccccc2C)cc1 ZINC000055262925 520420007 /nfs/dbraw/zinc/42/00/07/520420007.db2.gz YQWGKLJULPXBOU-QGZVFWFLSA-N 0 0 256.345 3.866 10 0 CHAERN CCCSCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127656549 520548685 /nfs/dbraw/zinc/54/86/85/520548685.db2.gz KDUIMQQLGXTPPG-ZDUSSCGKSA-N 0 0 281.421 3.785 10 0 CHAERN CCCCN(c1cc(Cl)nc(C)n1)[C@H](C)CC ZINC000052837076 520552342 /nfs/dbraw/zinc/55/23/42/520552342.db2.gz FGUFBDNGDADEEN-SNVBAGLBSA-N 0 0 255.793 3.843 10 0 CHAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)C(CC)CC)C1 ZINC000062752180 521210179 /nfs/dbraw/zinc/21/01/79/521210179.db2.gz LRUDUZSCWJVWIF-NWANDNLSSA-N 0 0 269.429 3.776 10 0 CHAERN CCC[C@H]1CC[C@H](C(=O)[O-])[C@H]([N@H+](C)C2CCCC2)C1 ZINC000062751349 521211732 /nfs/dbraw/zinc/21/17/32/521211732.db2.gz PZSWROWOKGGUOT-AEGPPILISA-N 0 0 267.413 3.530 10 0 CHAERN CCOc1ccc([C@@H](O)c2cc(C)ccc2F)cc1 ZINC000052998859 521231425 /nfs/dbraw/zinc/23/14/25/521231425.db2.gz YLXNPKUBVAGGAM-MRXNPFEDSA-N 0 0 260.308 3.615 10 0 CHAERN CCN(C[C@H](O)c1ccccc1)c1ccccc1C ZINC000048235475 521264571 /nfs/dbraw/zinc/26/45/71/521264571.db2.gz SVNLXQSLDWPDIS-KRWDZBQOSA-N 0 0 255.361 3.555 10 0 CHAERN CCCCc1nc(Cl)c(CNCc2cccc(F)c2)[nH]1 ZINC000088398822 521300765 /nfs/dbraw/zinc/30/07/65/521300765.db2.gz UEDHTZRCLHZWQW-UHFFFAOYSA-N 0 0 295.789 3.835 10 0 CHAERN CCCc1ccc([C@@H](O)COc2ccccc2)cc1 ZINC000055352124 521416601 /nfs/dbraw/zinc/41/66/01/521416601.db2.gz LMYFPUAVYXOTLJ-KRWDZBQOSA-N 0 0 256.345 3.752 10 0 CHAERN CCOc1ccccc1-c1ccc(OC)c(C=O)c1 ZINC000055239519 521439088 /nfs/dbraw/zinc/43/90/88/521439088.db2.gz QJQUOKSZQFJKLW-UHFFFAOYSA-N 0 0 256.301 3.573 10 0 CHAERN CCCc1nc(N(C)C2CCCCC2)sc1C=O ZINC000054967087 521529569 /nfs/dbraw/zinc/52/95/69/521529569.db2.gz XCPLNFUUCTYQNU-UHFFFAOYSA-N 0 0 266.410 3.677 10 0 CHAERN CCOC(=O)c1cccc(C(F)(F)F)c1Br ZINC000047202669 521535775 /nfs/dbraw/zinc/53/57/75/521535775.db2.gz DQUIQGHLJQSRBP-UHFFFAOYSA-N 0 0 297.070 3.645 10 0 CHAERN CCCC1N=NC(=S)N1[C@@H](C)c1ccccc1Cl ZINC000049510045 521570236 /nfs/dbraw/zinc/57/02/36/521570236.db2.gz AQBKFLLHBAKNPF-VIFPVBQESA-N 0 0 281.812 3.782 10 0 CHAERN CCCC1N=NC(=S)N1[C@H](C)c1ccccc1Cl ZINC000049510047 521570453 /nfs/dbraw/zinc/57/04/53/521570453.db2.gz AQBKFLLHBAKNPF-SECBINFHSA-N 0 0 281.812 3.782 10 0 CHAERN CCCn1ccc2ccc(NC(=O)[C@@H]3CC[C@H](C)O3)cc21 ZINC000158510727 521659090 /nfs/dbraw/zinc/65/90/90/521659090.db2.gz QAZRGJOICATPCM-LRDDRELGSA-N 0 0 286.375 3.557 10 0 CHAERN CC[C@H](C)[C@@](C)(O)c1ccccc1OC(F)(F)F ZINC000055192665 521904836 /nfs/dbraw/zinc/90/48/36/521904836.db2.gz PAIGIDPWILOEGD-JOYOIKCWSA-N 0 0 262.271 3.839 10 0 CHAERN CCc1nc(-c2ccc(OC)cc2)[nH]c(=S)c1C ZINC000045956169 522147534 /nfs/dbraw/zinc/14/75/34/522147534.db2.gz LPGDZKQDHLQPCN-UHFFFAOYSA-N 0 0 260.362 3.686 10 0 CHAERN CCc1nc(N)sc1Cc1cc(OC)ccc1Cl ZINC000050266746 522382626 /nfs/dbraw/zinc/38/26/26/522382626.db2.gz YPSRBVLQYOQGKR-UHFFFAOYSA-N 0 0 282.796 3.541 10 0 CHAERN CCc1nc(N)sc1Cc1cccc(Cl)c1F ZINC000050266575 522383331 /nfs/dbraw/zinc/38/33/31/522383331.db2.gz HAQCKYGKFGTSOL-UHFFFAOYSA-N 0 0 270.760 3.671 10 0 CHAERN CC[C@H](NC(=O)c1ccccc1Br)C(C)C ZINC000042550585 522543181 /nfs/dbraw/zinc/54/31/81/522543181.db2.gz VMZBMJVPHMLXLI-LBPRGKRZSA-N 0 0 284.197 3.614 10 0 CHAERN COC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000103355737 522552589 /nfs/dbraw/zinc/55/25/89/522552589.db2.gz RESRNAXGDNFJIC-ZETCQYMHSA-N 0 0 295.688 3.580 10 0 CHAERN CNc1cc(C(C)C)nc(-c2ccccc2Cl)n1 ZINC000050851642 522563010 /nfs/dbraw/zinc/56/30/10/522563010.db2.gz CUVUKVKMCSOFDV-UHFFFAOYSA-N 0 0 261.756 3.962 10 0 CHAERN CNc1cc(COc2c(C)ccc(C)c2C)ccn1 ZINC000052755351 522568303 /nfs/dbraw/zinc/56/83/03/522568303.db2.gz FKEYBQMYQDIHPN-UHFFFAOYSA-N 0 0 256.349 3.628 10 0 CHAERN CCc1noc(C)c1NC(=O)N[C@H](C)c1cc(C)oc1C ZINC000155486745 522870299 /nfs/dbraw/zinc/87/02/99/522870299.db2.gz PBNWJJRMFHFTDH-SECBINFHSA-N 0 0 291.351 3.638 10 0 CHAERN COCc1cc(Cl)nc(-c2ccc(Cl)s2)n1 ZINC000051700465 522927355 /nfs/dbraw/zinc/92/73/55/522927355.db2.gz MXGRGTSTNRVDHR-UHFFFAOYSA-N 0 0 275.160 3.658 10 0 CHAERN CC[C@@H]([NH2+][C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000049356988 522930065 /nfs/dbraw/zinc/93/00/65/522930065.db2.gz RWBUTZPYSILTJZ-RDDDGLTNSA-N 0 0 276.163 3.507 10 0 CHAERN CC[C@H]1CCCC[C@H]1Nc1nc(Cl)nc(Cl)n1 ZINC000061518616 523063200 /nfs/dbraw/zinc/06/32/00/523063200.db2.gz MTOKIJMCEOKUIQ-JGVFFNPUSA-N 0 0 275.183 3.559 10 0 CHAERN CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(C)c(N)c1 ZINC000048633960 523063347 /nfs/dbraw/zinc/06/33/47/523063347.db2.gz HIGYDQYCPROFFW-SWLSCSKDSA-N 0 0 261.365 3.703 10 0 CHAERN CCn1c(C)nnc1CSCc1cc(C)cc(C)c1 ZINC000119739556 523155715 /nfs/dbraw/zinc/15/57/15/523155715.db2.gz PTEMULWWILXHJO-UHFFFAOYSA-N 0 0 275.421 3.657 10 0 CHAERN CN(Cc1cccs1)c1cc(Cl)ccc1C(N)=S ZINC000062788066 523450338 /nfs/dbraw/zinc/45/03/38/523450338.db2.gz LEBINOJGSHEBRD-UHFFFAOYSA-N 0 0 296.848 3.672 10 0 CHAERN CO[C@@H]1CCC[C@@H](Nc2nc(C(F)(F)F)cs2)C1 ZINC000301794257 523615798 /nfs/dbraw/zinc/61/57/98/523615798.db2.gz SKDVOCSGWGSCSE-HTQZYQBOSA-N 0 0 280.315 3.531 10 0 CHAERN CCc1c(C)nc(Nc2ccc(F)cc2)nc1Cl ZINC000057331073 523710099 /nfs/dbraw/zinc/71/00/99/523710099.db2.gz JWCRECJAPRRWHX-UHFFFAOYSA-N 0 0 265.719 3.884 10 0 CHAERN CCc1ccc(N(C)Cc2ccnc(Cl)c2)cc1 ZINC000052717382 523958962 /nfs/dbraw/zinc/95/89/62/523958962.db2.gz DNKZZGSQKHEOEV-UHFFFAOYSA-N 0 0 260.768 3.934 10 0 CHAERN CCc1ccc(NC(=O)C(C)(C)C)c(Br)c1 ZINC000065000196 523969486 /nfs/dbraw/zinc/96/94/86/523969486.db2.gz HQSICRKIIMVAOR-UHFFFAOYSA-N 0 0 284.197 3.996 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cccnc2)o1 ZINC000128315774 524035196 /nfs/dbraw/zinc/03/51/96/524035196.db2.gz OJQPXOYRBNHEPK-HNNXBMFYSA-N 0 0 284.359 3.604 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CCOC(C)C)o1 ZINC000128512106 524053427 /nfs/dbraw/zinc/05/34/27/524053427.db2.gz SIYGEHGJIPQALH-OAHLLOKOSA-N 0 0 293.407 3.711 10 0 CHAERN C[C@H]1CCC[C@@H](SCCOc2cccc(N)c2)C1 ZINC000054689492 524154124 /nfs/dbraw/zinc/15/41/24/524154124.db2.gz OPFPFEWTACBNGL-SWLSCSKDSA-N 0 0 265.422 3.960 10 0 CHAERN COc1ccc(C[C@H]2CCCCC2=O)cc1Br ZINC000049596764 524157414 /nfs/dbraw/zinc/15/74/14/524157414.db2.gz QEDYGVFURTYKCS-LLVKDONJSA-N 0 0 297.192 3.760 10 0 CHAERN COc1ccc(Cl)c(N[C@H](C)Cc2ccco2)c1 ZINC000062772030 524187399 /nfs/dbraw/zinc/18/73/99/524187399.db2.gz SGBBAMWYQRVZEI-SNVBAGLBSA-N 0 0 265.740 3.985 10 0 CHAERN C[C@H]1CCC[C@H](N(C)c2cccc(Cl)c2C(N)=S)C1 ZINC000052905980 524202682 /nfs/dbraw/zinc/20/26/82/524202682.db2.gz BXWBNVRQVKDDTO-QWRGUYRKSA-N 0 0 296.867 3.989 10 0 CHAERN C[C@@H]1CCCN(c2n[nH]c(=S)n2C2CCCC2)[C@@H]1C ZINC000050566335 524248937 /nfs/dbraw/zinc/24/89/37/524248937.db2.gz CBUJSQOZUZIGRL-GHMZBOCLSA-N 0 0 280.441 3.681 10 0 CHAERN C[C@@H]1CCC[C@@H](C)N1c1ncccc1Br ZINC000058616117 524281721 /nfs/dbraw/zinc/28/17/21/524281721.db2.gz PKGXEVLXVBLGPA-NXEZZACHSA-N 0 0 269.186 3.611 10 0 CHAERN Cc1cccc(C[S@](=O)Cc2cc(N)ccc2Cl)c1 ZINC000054966154 524473200 /nfs/dbraw/zinc/47/32/00/524473200.db2.gz CMIMJGIQMHLXBT-LJQANCHMSA-N 0 0 293.819 3.680 10 0 CHAERN C[C@@H]1CCN(c2nc(Cl)nc3ccccc32)[C@H](C)C1 ZINC000052811914 524526102 /nfs/dbraw/zinc/52/61/02/524526102.db2.gz RTDMCODRENDYDG-GHMZBOCLSA-N 0 0 275.783 3.908 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)N(C)c2cc(Cl)cc(Cl)c2)O1 ZINC000154786451 524551807 /nfs/dbraw/zinc/55/18/07/524551807.db2.gz CUVVRMRVOWVDGV-PELKAZGASA-N 0 0 288.174 3.524 10 0 CHAERN COc1ccc(NC(C)=O)cc1N[C@@H]1CCCC[C@H]1C ZINC000037055262 524672209 /nfs/dbraw/zinc/67/22/09/524672209.db2.gz VPUGVWGTAFEWBI-BXUZGUMPSA-N 0 0 276.380 3.644 10 0 CHAERN COc1ccc(NC2C3CC4CC(C3)CC2C4)cc1 ZINC000057614943 524675019 /nfs/dbraw/zinc/67/50/19/524675019.db2.gz BMVZEHZVLZAQJF-UHFFFAOYSA-N 0 0 257.377 3.932 10 0 CHAERN COc1ccc(N[C@@H](C)CC(C)(C)OC)cc1C ZINC000049528421 524701010 /nfs/dbraw/zinc/70/10/10/524701010.db2.gz ISQAZBMIHPWGAP-LBPRGKRZSA-N 0 0 251.370 3.619 10 0 CHAERN Cc1ccc(Cn2ccc3c2CC(C)(C)C[C@H]3O)s1 ZINC000050225821 524772179 /nfs/dbraw/zinc/77/21/79/524772179.db2.gz YWKHMRTXOXCXOM-OAHLLOKOSA-N 0 0 275.417 3.912 10 0 CHAERN Cc1cc(CNc2ccccc2[C@@H](C)O)ccc1F ZINC000050545686 524791866 /nfs/dbraw/zinc/79/18/66/524791866.db2.gz JEAINVSDAQHZRF-GFCCVEGCSA-N 0 0 259.324 3.800 10 0 CHAERN Cc1ccc(F)c([C@H](O)CCOc2ccccc2)c1 ZINC000055200757 524835013 /nfs/dbraw/zinc/83/50/13/524835013.db2.gz HGESRGOGSQKKMP-MRXNPFEDSA-N 0 0 260.308 3.637 10 0 CHAERN Cc1ccc(F)c([C@@H](O)c2ccc(Cl)s2)c1 ZINC000052998958 524835920 /nfs/dbraw/zinc/83/59/20/524835920.db2.gz SSZRNXQDYJLPIF-GFCCVEGCSA-N 0 0 256.729 3.931 10 0 CHAERN C[C@H]1C[C@@H]1NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000075515433 524850523 /nfs/dbraw/zinc/85/05/23/524850523.db2.gz NMXLESZEDVBSNQ-WKEGUHRASA-N 0 0 283.158 3.613 10 0 CHAERN Cc1cccc2c(CCC(=O)N[C@H](C)C(C)C)c[nH]c21 ZINC000129796468 524935749 /nfs/dbraw/zinc/93/57/49/524935749.db2.gz QMTQRIADYREYII-CYBMUJFWSA-N 0 0 272.392 3.570 10 0 CHAERN C[C@H]1C[C@H](OCCCCC(N)=S)CC(C)(C)C1 ZINC000049583121 524936984 /nfs/dbraw/zinc/93/69/84/524936984.db2.gz GZIYVCKDZPVUNM-RYUDHWBXSA-N 0 0 257.443 3.674 10 0 CHAERN C[C@H](NC(=O)N(C)C1CCC1)c1cccc(Cl)c1 ZINC000073487029 524998069 /nfs/dbraw/zinc/99/80/69/524998069.db2.gz MULJPAHTDQERTE-JTQLQIEISA-N 0 0 266.772 3.595 10 0 CHAERN Cc1cc(N)cnc1Nc1ccc(Cl)cc1F ZINC000052813120 525041691 /nfs/dbraw/zinc/04/16/91/525041691.db2.gz JHVHOXKJCUTEMR-UHFFFAOYSA-N 0 0 251.692 3.508 10 0 CHAERN Cc1cc(N2CCC[C@H]3CCCC[C@@H]32)ccc1C=O ZINC000050569503 525074099 /nfs/dbraw/zinc/07/40/99/525074099.db2.gz CXTGXEXTEHGKQL-PBHICJAKSA-N 0 0 257.377 3.967 10 0 CHAERN C[C@@H](NC(=O)CCC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000079727103 525081541 /nfs/dbraw/zinc/08/15/41/525081541.db2.gz XHSUHDCQUGHFHX-SSDOTTSWSA-N 0 0 297.679 3.999 10 0 CHAERN Cc1ccccc1CC[C@@H](O)Cc1cccc(F)c1 ZINC000062141334 525117299 /nfs/dbraw/zinc/11/72/99/525117299.db2.gz DVPHEDFNYYPUDD-QGZVFWFLSA-N 0 0 258.336 3.670 10 0 CHAERN COc1ccc([C@@H](C)Nc2ccnc(C3CC3)n2)cc1OC ZINC000264632931 525165967 /nfs/dbraw/zinc/16/59/67/525165967.db2.gz KMNIRHPBKQCAST-LLVKDONJSA-N 0 0 299.374 3.544 10 0 CHAERN Cc1ccccc1C[S@@](=O)Cc1ccc(Cl)cc1N ZINC000054964427 525200068 /nfs/dbraw/zinc/20/00/68/525200068.db2.gz SSAGFSTZCAMACD-IBGZPJMESA-N 0 0 293.819 3.680 10 0 CHAERN Cc1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)c1 ZINC000117560894 525206781 /nfs/dbraw/zinc/20/67/81/525206781.db2.gz BIYCIXQWLXOALT-SUMWQHHRSA-N 0 0 281.355 3.807 10 0 CHAERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000049526199 525316899 /nfs/dbraw/zinc/31/68/99/525316899.db2.gz CLJGTABMQZRNGY-SNVBAGLBSA-N 0 0 292.180 3.721 10 0 CHAERN Cc1cc(Oc2c(F)cccc2F)nc(-c2ccncc2)n1 ZINC000112072786 525384913 /nfs/dbraw/zinc/38/49/13/525384913.db2.gz IWHQJYTYKBBEOO-UHFFFAOYSA-N 0 0 299.280 3.918 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)N1Cc2ccccc2C1 ZINC000106327262 525409915 /nfs/dbraw/zinc/40/99/15/525409915.db2.gz VOZPIJDBHJVOJJ-AWEZNQCLSA-N 0 0 280.371 3.781 10 0 CHAERN Cc1[nH]c2c(F)cc(Br)cc2c(=O)c1C(C)C ZINC000061688179 525414705 /nfs/dbraw/zinc/41/47/05/525414705.db2.gz IBENKTXJURPOLK-UHFFFAOYSA-N 0 0 298.155 3.862 10 0 CHAERN Cc1cc([C@@H](C)Nc2cc(Cl)ncn2)c(C)s1 ZINC000049513779 525477126 /nfs/dbraw/zinc/47/71/26/525477126.db2.gz JXMZTGQIKCYITJ-MRVPVSSYSA-N 0 0 267.785 3.981 10 0 CHAERN Cc1cccnc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000131184801 525542648 /nfs/dbraw/zinc/54/26/48/525542648.db2.gz XNVCDISLGCKWFI-KGLIPLIRSA-N 0 0 258.365 3.545 10 0 CHAERN CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000077539066 525561146 /nfs/dbraw/zinc/56/11/46/525561146.db2.gz FODRLWAJHVXUQT-KBPBESRZSA-N 0 0 294.464 3.839 10 0 CHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000044494503 525648230 /nfs/dbraw/zinc/64/82/30/525648230.db2.gz PBYZMMKCMCYHBW-VIFPVBQESA-N 0 0 269.270 3.612 10 0 CHAERN C[C@@H](N[C@H](C)c1ccc(Br)cc1)c1cc[nH]n1 ZINC000049515657 525657933 /nfs/dbraw/zinc/65/79/33/525657933.db2.gz LPBQCMYHEVEYIQ-NXEZZACHSA-N 0 0 294.196 3.584 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C2CCC2)o1 ZINC000102902028 525702091 /nfs/dbraw/zinc/70/20/91/525702091.db2.gz XLWZVGJMRSZVBV-OCCSQVGLSA-N 0 0 276.380 3.623 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2)o1 ZINC000112042445 525710969 /nfs/dbraw/zinc/71/09/69/525710969.db2.gz BMYYNPZZKPEVAP-GXTWGEPZSA-N 0 0 271.360 3.644 10 0 CHAERN Cc1c(Cl)cccc1NC(=S)NCC[C@@H]1CCCO1 ZINC000055353090 525779578 /nfs/dbraw/zinc/77/95/78/525779578.db2.gz GNWITIHDOBXVAJ-NSHDSACASA-N 0 0 298.839 3.504 10 0 CHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000155870827 525794409 /nfs/dbraw/zinc/79/44/09/525794409.db2.gz MVQSKSGLAMYVRU-DZKIICNBSA-N 0 0 291.391 3.599 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccsc2)o1 ZINC000127694343 525799881 /nfs/dbraw/zinc/79/98/81/525799881.db2.gz YDYHCRIZDMMVTR-AWEZNQCLSA-N 0 0 289.400 3.946 10 0 CHAERN C[C@H](O)Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000062771337 525829904 /nfs/dbraw/zinc/82/99/04/525829904.db2.gz DWMLXMHJRJUINB-QMMMGPOBSA-N 0 0 254.688 3.662 10 0 CHAERN Cc1ccc(-c2nn(C)c(N)c2-c2cccs2)s1 ZINC000052901722 525841999 /nfs/dbraw/zinc/84/19/99/525841999.db2.gz PJTHCYDQTMEUFU-UHFFFAOYSA-N 0 0 275.402 3.768 10 0 CHAERN Cc1c(NC(=O)[C@@H]2CCCO[C@@H]2C)sc2c1CCCC2 ZINC000188063820 525853576 /nfs/dbraw/zinc/85/35/76/525853576.db2.gz XEYRJQGLBSQKKM-DGCLKSJQSA-N 0 0 293.432 3.689 10 0 CHAERN C[C@H](O)c1ccc(N(C)CC2CCC2)c(Cl)c1 ZINC000061697117 525856972 /nfs/dbraw/zinc/85/69/72/525856972.db2.gz SSAYNOHUGSATPJ-JTQLQIEISA-N 0 0 253.773 3.630 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccccn2)o1 ZINC000127775530 525991654 /nfs/dbraw/zinc/99/16/54/525991654.db2.gz MJGDDQZLENWCRW-MRXNPFEDSA-N 0 0 298.386 3.669 10 0 CHAERN C[C@H]1CCCC[C@H]1N(C)c1c(N)ccc(F)c1F ZINC000053167083 526261341 /nfs/dbraw/zinc/26/13/41/526261341.db2.gz SGHIQKRUSKYMFZ-JOYOIKCWSA-N 0 0 254.324 3.562 10 0 CHAERN O[C@H](Cc1ccncc1)Cc1c(Cl)cccc1Cl ZINC000053787779 526298183 /nfs/dbraw/zinc/29/81/83/526298183.db2.gz BZEADUVRGPBPDE-LLVKDONJSA-N 0 0 282.170 3.535 10 0 CHAERN O[C@H](c1ccc(F)cc1F)C1(c2ccccc2)CC1 ZINC000061618452 526299743 /nfs/dbraw/zinc/29/97/43/526299743.db2.gz YTWCRQKRXJOSHO-OAHLLOKOSA-N 0 0 260.283 3.730 10 0 CHAERN O[C@H](c1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000061703404 526301070 /nfs/dbraw/zinc/30/10/70/526301070.db2.gz YRCJWPQQFSTPON-LBPRGKRZSA-N 0 0 260.255 3.809 10 0 CHAERN Cc1nn([C@H](c2ccccc2)C(C)C)c(N)c1Cl ZINC000063019939 526306669 /nfs/dbraw/zinc/30/66/69/526306669.db2.gz FZYQNDWXXQQJRR-ZDUSSCGKSA-N 0 0 263.772 3.673 10 0 CHAERN Fc1cccc(Cl)c1-c1nc(-c2cccs2)n[nH]1 ZINC000054699929 526390404 /nfs/dbraw/zinc/39/04/04/526390404.db2.gz TUGPDASCSHELAF-UHFFFAOYSA-N 0 0 279.727 3.993 10 0 CHAERN O=C(CCCCOCC(F)(F)F)c1ccccc1 ZINC000049312758 526424795 /nfs/dbraw/zinc/42/47/95/526424795.db2.gz FEQKSCCKJVOOKS-UHFFFAOYSA-N 0 0 260.255 3.619 10 0 CHAERN O=C(OCc1cccs1)c1nc(Cl)ccc1Cl ZINC000070166827 526428833 /nfs/dbraw/zinc/42/88/33/526428833.db2.gz VRZJMQJCNNHNKM-UHFFFAOYSA-N 0 0 288.155 3.807 10 0 CHAERN Cc1n[nH]c(C)c1CNc1ccnc2ccc(Cl)cc21 ZINC000041474825 526497447 /nfs/dbraw/zinc/49/74/47/526497447.db2.gz AQWIOESLXFNQGK-UHFFFAOYSA-N 0 0 286.766 3.840 10 0 CHAERN O=C(c1ccc(F)cc1)c1ccc2ncccc2c1 ZINC000061412574 526690625 /nfs/dbraw/zinc/69/06/25/526690625.db2.gz ABHDHJQXYRMJET-UHFFFAOYSA-N 0 0 251.260 3.605 10 0 CHAERN Cc1nc(C)c([C@H](C)Nc2ccc(C)cc2N)s1 ZINC000049533725 526756556 /nfs/dbraw/zinc/75/65/56/526756556.db2.gz KPWJTJIAORUKEW-JTQLQIEISA-N 0 0 261.394 3.824 10 0 CHAERN O=C(c1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000061703304 526773779 /nfs/dbraw/zinc/77/37/79/526773779.db2.gz CGNWUJRIDUUHLP-UHFFFAOYSA-N 0 0 258.239 3.958 10 0 CHAERN Clc1ccc(Cc2noc(NC3CC3)n2)cc1Cl ZINC000053750712 526952563 /nfs/dbraw/zinc/95/25/63/526952563.db2.gz SPNIYNRMZVDJBS-UHFFFAOYSA-N 0 0 284.146 3.542 10 0 CHAERN Clc1ccc(Cl)c(NCCCn2ccnc2)c1 ZINC000049327569 526954467 /nfs/dbraw/zinc/95/44/67/526954467.db2.gz VFXFCVBOMXCUBZ-UHFFFAOYSA-N 0 0 270.163 3.692 10 0 CHAERN Clc1ccc(NCCN2CCc3ccccc32)cc1 ZINC000066182916 526955558 /nfs/dbraw/zinc/95/55/58/526955558.db2.gz KOEDVZXIQHCFNV-UHFFFAOYSA-N 0 0 272.779 3.815 10 0 CHAERN Clc1ccccc1-c1cnc(COc2ccccn2)o1 ZINC000150880967 526984481 /nfs/dbraw/zinc/98/44/81/526984481.db2.gz CEQWSWJVTODXLL-UHFFFAOYSA-N 0 0 286.718 3.969 10 0 CHAERN NC(=S)c1c(Cl)cccc1NCC1CCCCC1 ZINC000052904721 527113366 /nfs/dbraw/zinc/11/33/66/527113366.db2.gz SKHBTIHTKQMKSL-UHFFFAOYSA-N 0 0 282.840 3.966 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000052842940 527121698 /nfs/dbraw/zinc/12/16/98/527121698.db2.gz GHRUEZUKLFXVTN-UHFFFAOYSA-N 0 0 291.276 3.935 10 0 CHAERN Cc1nc2cc(N)ccc2n1-c1ccc(Cl)cc1F ZINC000052855363 527121783 /nfs/dbraw/zinc/12/17/83/527121783.db2.gz JXBUMHNZAKMWPK-UHFFFAOYSA-N 0 0 275.714 3.709 10 0 CHAERN NNc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000051092135 527284277 /nfs/dbraw/zinc/28/42/77/527284277.db2.gz IHVMRVOWBCTXQX-UHFFFAOYSA-N 0 0 296.157 3.531 10 0 CHAERN Nc1cc(Cl)ccc1COc1cc(F)cc(F)c1 ZINC000054932194 527451852 /nfs/dbraw/zinc/45/18/52/527451852.db2.gz ZUALOBUYTSVWNN-UHFFFAOYSA-N 0 0 269.678 3.779 10 0 CHAERN Nc1ccc(NCc2ccc(F)c(F)c2)c(Cl)c1 ZINC000049577289 527494844 /nfs/dbraw/zinc/49/48/44/527494844.db2.gz VSAFYYVJUJDXLJ-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Nc1cccc(NCc2ccccc2C(F)(F)F)c1 ZINC000061626189 527519963 /nfs/dbraw/zinc/51/99/63/527519963.db2.gz ZKSUAIIQZYEEKU-UHFFFAOYSA-N 0 0 266.266 3.900 10 0 CHAERN Nc1ncccc1COc1cccc(Cl)c1Cl ZINC000052755203 527568898 /nfs/dbraw/zinc/56/88/98/527568898.db2.gz YUTQFAPMYUOYKZ-UHFFFAOYSA-N 0 0 269.131 3.550 10 0 CHAERN OCc1cc(Cl)ccc1OCc1ccc(F)cc1F ZINC000050885060 527629788 /nfs/dbraw/zinc/62/97/88/527629788.db2.gz VGOPXYJSJHFEED-UHFFFAOYSA-N 0 0 284.689 3.690 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(Cl)c1C ZINC000087406442 527697576 /nfs/dbraw/zinc/69/75/76/527697576.db2.gz VXOPJVRUOSKLLI-SNVBAGLBSA-N 0 0 263.772 3.863 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc2ccc(C)nc21 ZINC000087409861 527697835 /nfs/dbraw/zinc/69/78/35/527697835.db2.gz OVAQJTAPIUNVMT-GFCCVEGCSA-N 0 0 280.375 3.758 10 0 CHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(OCC(C)C)c1 ZINC000087409018 527700621 /nfs/dbraw/zinc/70/06/21/527700621.db2.gz OINFHLOZNLQHOO-ZDUSSCGKSA-N 0 0 287.407 3.936 10 0 CHAERN CC1CCC(=Cc2nc(-c3ccccn3)no2)CC1 ZINC000114850361 528166036 /nfs/dbraw/zinc/16/60/36/528166036.db2.gz UGZQZTBFMCDSJP-UHFFFAOYSA-N 0 0 255.321 3.725 10 0 CHAERN CC[C@H]1CN(c2ccnc3c(F)cc(F)cc23)CCS1 ZINC000302542583 529302419 /nfs/dbraw/zinc/30/24/19/529302419.db2.gz TWULAPNAKCOMDI-NSHDSACASA-N 0 0 294.370 3.845 10 0 CHAERN CC(C)c1cc2nc(C(C)(C)C)nn2c(Br)c1 ZINC000725247898 567908417 /nfs/dbraw/zinc/90/84/17/567908417.db2.gz CLSXNDZYDLJOOI-UHFFFAOYSA-N 0 0 296.212 3.913 10 0 CHAERN CCCCCSc1nsnc1C1=CCCN(C)C1 ZINC000013456708 560216908 /nfs/dbraw/zinc/21/69/08/560216908.db2.gz LRTWCQHCJKYNPS-UHFFFAOYSA-N 0 0 283.466 3.539 10 0 in-vitro CHAERN CCC(C)(C)C1CCC([C@H]2CC[C@@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059837 567023020 /nfs/dbraw/zinc/02/30/20/567023020.db2.gz NUHPUIYNRHZKRE-SHWKFHJASA-N 0 0 281.440 3.682 10 0 CHAERN CNc1nc2ccccc2c(NCc2ccc(Cl)cc2)n1 ZINC000127947762 567033736 /nfs/dbraw/zinc/03/37/36/567033736.db2.gz VENMKIWSQIDYDE-UHFFFAOYSA-N 0 0 298.777 3.937 10 0 CHAERN Brc1cccc2ccnc(Br)c12 ZINC000096850511 567041065 /nfs/dbraw/zinc/04/10/65/567041065.db2.gz IKAVUSHDOXOKHX-UHFFFAOYSA-N 0 0 286.954 3.760 10 0 CHAERN Cc1ccc(COc2ccc([C@@H](C)O)cc2F)cc1 ZINC000058823256 567217662 /nfs/dbraw/zinc/21/76/62/567217662.db2.gz IXFUYKPHIYUFFJ-GFCCVEGCSA-N 0 0 260.308 3.766 10 0 CHAERN O=C1[C@@H]2[C@H](C[C@@H]2c2ccccc2)CCN1Cc1ccccc1 ZINC000725262664 567220428 /nfs/dbraw/zinc/22/04/28/567220428.db2.gz RRHKPGXNYQKHRK-IPMKNSEASA-N 0 0 291.394 3.839 10 0 CHAERN O=C(/C=C/c1ccccc1Cl)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000000567359 567833752 /nfs/dbraw/zinc/83/37/52/567833752.db2.gz GSSXOQYSFJCOMR-ITFDXKNOSA-N 0 0 275.779 3.658 10 0 CHAERN Fc1ncc(Cl)cc1-c1cncc(C(F)F)c1 ZINC000725241208 567907772 /nfs/dbraw/zinc/90/77/72/567907772.db2.gz CCEYZNAOXCJSKA-UHFFFAOYSA-N 0 0 258.630 3.874 10 0 CHAERN Clc1cc(CC2CC2)cc2nc(C3CCC3)nn21 ZINC000725245743 567908129 /nfs/dbraw/zinc/90/81/29/567908129.db2.gz LSLGMWPQZVLORF-UHFFFAOYSA-N 0 0 261.756 3.603 10 0 CHAERN CC(C)Cc1nc2cc(C(C)C)cc(Br)n2n1 ZINC000725247865 567908427 /nfs/dbraw/zinc/90/84/27/567908427.db2.gz BCJVEJLKRQXIDS-UHFFFAOYSA-N 0 0 296.212 3.814 10 0 CHAERN Cc1cc2nc(CCC(C)C)nn2c(Cl)c1C ZINC000725246876 567908468 /nfs/dbraw/zinc/90/84/68/567908468.db2.gz ZPLRVPVCRKEABR-UHFFFAOYSA-N 0 0 251.761 3.588 10 0 CHAERN CC(C)Cc1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246496 567908482 /nfs/dbraw/zinc/90/84/82/567908482.db2.gz NWMRGAYQYFXOJX-UHFFFAOYSA-N 0 0 251.761 3.705 10 0 CHAERN COC(=O)c1cc(Cl)nc2c1[C@H](C)CC[C@H]2C ZINC000725259946 567917148 /nfs/dbraw/zinc/91/71/48/567917148.db2.gz KWAAMFOZMRQEHQ-HTQZYQBOSA-N 0 0 253.729 3.522 10 0 CHAERN CCC(C)(C)[C@H]1CCc2nc(Cl)cc(CO)c2C1 ZINC000725260769 567917303 /nfs/dbraw/zinc/91/73/03/567917303.db2.gz VXJFGEJVRULYQO-NSHDSACASA-N 0 0 267.800 3.768 10 0 CHAERN O=Cc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1F ZINC000725265261 567923188 /nfs/dbraw/zinc/92/31/88/567923188.db2.gz VFGJZUCDGFPGTI-INIZCTEOSA-N 0 0 256.276 3.767 10 0 CHAERN O=Cc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1F ZINC000725265262 567923294 /nfs/dbraw/zinc/92/32/94/567923294.db2.gz VFGJZUCDGFPGTI-MRXNPFEDSA-N 0 0 256.276 3.767 10 0 CHAERN CCC[C@H]1CCc2[nH]nc(-c3cccc(N)c3)c2C1 ZINC000725265472 567923308 /nfs/dbraw/zinc/92/33/08/567923308.db2.gz FVXDDXFLPDNYJO-NSHDSACASA-N 0 0 255.365 3.564 10 0 CHAERN CC[C@H](C)CC1N=NC(=S)N1C1CCCCC1 ZINC000725265889 567923504 /nfs/dbraw/zinc/92/35/04/567923504.db2.gz TXTAALCFRFCMMA-JTQLQIEISA-N 0 0 253.415 3.661 10 0 CHAERN CCCCCCC1N=NC(=S)N1CC(C)(C)C ZINC000725265515 567923651 /nfs/dbraw/zinc/92/36/51/567923651.db2.gz CYQHMUWTPPPUQQ-UHFFFAOYSA-N 0 0 255.431 3.736 10 0 CHAERN C[C@H]1CCc2nc(-c3ccccc3Br)cn2C1 ZINC000258482723 567930999 /nfs/dbraw/zinc/93/09/99/567930999.db2.gz QQJDGPLHHSOBJU-JTQLQIEISA-N 0 0 291.192 3.895 10 0 CHAERN Cc1ccc(Cl)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000232219518 570227822 /nfs/dbraw/zinc/22/78/22/570227822.db2.gz QZKKXWHYLOHOTB-UHFFFAOYSA-N 0 0 257.076 3.758 10 0 CHAERN CC(C)(C)c1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725242970 570255103 /nfs/dbraw/zinc/25/51/03/570255103.db2.gz CWANFYCUXCANBZ-UHFFFAOYSA-N 0 0 277.677 3.699 10 0 CHAERN CCC[C@@H](C)c1nc2cc(C)cc(Br)n2n1 ZINC000725248362 570256051 /nfs/dbraw/zinc/25/60/51/570256051.db2.gz SEHZFVQOFLHZBH-SECBINFHSA-N 0 0 282.185 3.704 10 0 CHAERN Cc1cc(Br)ccc1[C@]1(O)CC[C@H](C)C1 ZINC000521401754 570340174 /nfs/dbraw/zinc/34/01/74/570340174.db2.gz NLCHEJDZPLUIJL-ZANVPECISA-N 0 0 269.182 3.765 10 0 CHAERN Cc1cc(Br)ccc1[C@]1(O)CCC[C@H]1C ZINC000521401193 570340190 /nfs/dbraw/zinc/34/01/90/570340190.db2.gz GJSAMPXXGUVEAK-MFKMUULPSA-N 0 0 269.182 3.765 10 0 CHAERN CCC(=O)[C@H]1CCCN(c2ccccc2C(C)C)C1=O ZINC000536949732 570358242 /nfs/dbraw/zinc/35/82/42/570358242.db2.gz BVTBVEUVJFRMQD-CQSZACIVSA-N 0 0 273.376 3.532 10 0 CHAERN Cc1ccccc1CO[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000036314885 570405326 /nfs/dbraw/zinc/40/53/26/570405326.db2.gz IWQSLWNMZGJUPQ-KRWDZBQOSA-N 0 0 289.419 3.549 10 0 CHAERN CCN(CC)Cc1nc(Cl)c2c(n1)CC[C@@H](C(C)C)C2 ZINC000616569959 570408736 /nfs/dbraw/zinc/40/87/36/570408736.db2.gz ZBZMPLBRHFXXJF-GFCCVEGCSA-N 0 0 295.858 3.733 10 0 CHAERN C[C@H]1c2sccc2CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000712341010 955063271 /nfs/dbraw/zinc/06/32/71/955063271.db2.gz LSHFBGOJZFNJCF-NSHDSACASA-N 0 0 287.384 3.566 10 0 CHAERN CC[C@@H](C)C[N@H+](CC)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701821364 977043307 /nfs/dbraw/zinc/04/33/07/977043307.db2.gz CQJXUOKXMOKQQH-GFCCVEGCSA-N 0 0 263.381 3.561 10 0 CHAERN Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000701831560 977046645 /nfs/dbraw/zinc/04/66/45/977046645.db2.gz QBWRFADDOIMCJR-SWLSCSKDSA-N 0 0 275.392 3.704 10 0 CHAERN Cc1sc(C(=O)[O-])cc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717890211 977923412 /nfs/dbraw/zinc/92/34/12/977923412.db2.gz PYDBKRHPXMXHSH-UHFFFAOYSA-N 0 0 279.405 3.567 10 0 CHAERN CCC1(CC)CCC[N@@H+]1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000721505480 978114529 /nfs/dbraw/zinc/11/45/29/978114529.db2.gz TXRMMLQFUFHTAF-UHFFFAOYSA-N 0 0 279.355 3.679 10 0 CHAERN O=C([O-])c1cccc(C[NH+]2CCC(C3CC3)CC2)c1Cl ZINC000724687815 978235770 /nfs/dbraw/zinc/23/57/70/978235770.db2.gz RBEYFEPPXKWDPG-UHFFFAOYSA-N 0 0 293.794 3.660 10 0 CHAERN COc1cccc(Cl)c1CNC(=O)/C=C\C(C)(C)C ZINC000588582355 1119409919 /nfs/dbraw/zinc/40/99/19/1119409919.db2.gz AXDSLMKWNUZDGG-HJWRWDBZSA-N 0 0 281.783 3.567 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2cccc(Cl)n2)cs1 ZINC000189779028 1126934638 /nfs/dbraw/zinc/93/46/38/1126934638.db2.gz IVJNUEAVJWKPLE-ZDUSSCGKSA-N 0 0 293.823 3.837 10 0 CHAERN Cc1nc([C@@H]2CCCN2Cc2ccn(C(C)C)n2)cs1 ZINC000189815716 1126935012 /nfs/dbraw/zinc/93/50/12/1126935012.db2.gz CCIDSFQBJQRTPZ-HNNXBMFYSA-N 0 0 290.436 3.566 10 0 CHAERN O=C(c1ccc2cc[nH]c2c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000362837274 1127651228 /nfs/dbraw/zinc/65/12/28/1127651228.db2.gz CNRQKNHGZNVXAD-GOEBONIOSA-N 0 0 268.360 3.573 10 0 CHAERN COc1ccc2c(CC(=O)Nc3cccc(F)c3)coc2c1 ZINC000003548402 1117817091 /nfs/dbraw/zinc/81/70/91/1117817091.db2.gz GKMUBXBLNJSBDN-UHFFFAOYSA-N 0 0 299.301 3.762 10 0 CHAERN C[C@@H](NC/C(Cl)=C\Cl)c1ccccc1-n1cccn1 ZINC000588382570 1118480542 /nfs/dbraw/zinc/48/05/42/1118480542.db2.gz PGPIHYNYQPWFCP-LWMMSDEHSA-N 0 0 296.201 3.842 10 0 CHAERN Fc1cccc([C@@H](NC/C=C\Cl)C(F)(F)F)c1F ZINC000588427063 1118681534 /nfs/dbraw/zinc/68/15/34/1118681534.db2.gz UDAMTWYEWBEPDL-XJIUSYNZSA-N 0 0 285.643 3.910 10 0 CHAERN CC[C@@H](C)c1ccccc1OC(=O)/C=C\c1ccncn1 ZINC000588435486 1118731155 /nfs/dbraw/zinc/73/11/55/1118731155.db2.gz UZTXGJGBAZECHH-LJTDUEICSA-N 0 0 282.343 3.609 10 0 CHAERN O=C(/C=C\SCc1ccco1)OCCC[C@H]1CCCO1 ZINC000588449170 1118788292 /nfs/dbraw/zinc/78/82/92/1118788292.db2.gz WUPAODCYOCKGER-LWMSPQMPSA-N 0 0 296.388 3.529 10 0 CHAERN CCc1cccc(NC(=O)/C=C\c2ncccc2C)c1 ZINC000588451296 1118797864 /nfs/dbraw/zinc/79/78/64/1118797864.db2.gz UESSGQXNHQJSEG-KTKRTIGZSA-N 0 0 266.344 3.604 10 0 CHAERN Cc1cc(C)cc(NC(=O)/C=C\c2ncccc2C)c1 ZINC000588452314 1118798457 /nfs/dbraw/zinc/79/84/57/1118798457.db2.gz MBZXYYSVAFRUFT-SREVYHEPSA-N 0 0 266.344 3.659 10 0 CHAERN Cc1cccnc1/C=C\C(=O)O[C@H](C)c1ccccc1F ZINC000588453956 1118799918 /nfs/dbraw/zinc/79/99/18/1118799918.db2.gz JOYGVFYMEVMTSQ-ASCRHOAZSA-N 0 0 285.318 3.847 10 0 CHAERN COCCC(C)(C)CNC(=O)/C=C\c1ccccc1Cl ZINC000588454320 1118801581 /nfs/dbraw/zinc/80/15/81/1118801581.db2.gz DFNVMJGRBZTOIE-HJWRWDBZSA-N 0 0 295.810 3.532 10 0 CHAERN COc1cccc([C@@H](C)OC(=O)/C=C\c2ncccc2C)c1 ZINC000588456435 1118805292 /nfs/dbraw/zinc/80/52/92/1118805292.db2.gz YKQWEFVNVTZPNA-CFYYFVFUSA-N 0 0 297.354 3.716 10 0 CHAERN CC[C@@H]1CCCCCN1C(=O)/C=C\c1ccc(O)cc1 ZINC000588465520 1118836917 /nfs/dbraw/zinc/83/69/17/1118836917.db2.gz WGZSRKLUGXPWBD-HMVFGEFZSA-N 0 0 273.376 3.587 10 0 CHAERN O=C(/C=C\c1ccco1)OC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000588485454 1118920117 /nfs/dbraw/zinc/92/01/17/1118920117.db2.gz BUJBLKWEBCLUOV-QLSXZMNESA-N 0 0 298.338 3.614 10 0 CHAERN C[C@@H]1CCCCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000588506841 1119019004 /nfs/dbraw/zinc/01/90/04/1119019004.db2.gz KGABKTJWVBHCHU-FJVVXJACSA-N 0 0 294.398 3.897 10 0 CHAERN C/C(=C/C(=O)OCC1(C)CCOCC1)c1ccc(F)cc1 ZINC000588510487 1119046294 /nfs/dbraw/zinc/04/62/94/1119046294.db2.gz FFYWXEVCWVTXNR-QBFSEMIESA-N 0 0 292.350 3.589 10 0 CHAERN Cc1ncsc1/C=C\C(=O)OC1(Cc2ccccc2)CC1 ZINC000588522416 1119092764 /nfs/dbraw/zinc/09/27/64/1119092764.db2.gz KDXWWIIDILJPGP-FPLPWBNLSA-N 0 0 299.395 3.783 10 0 CHAERN CC(C)C(C)(C)CNC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588545885 1119184229 /nfs/dbraw/zinc/18/42/29/1119184229.db2.gz RZHZDAFLRPWGMQ-WAYWQWQTSA-N 0 0 280.799 3.547 10 0 CHAERN C[C@@H]1CCCC[C@@H]1c1noc([C@@H]2CCC(=O)c3cccn32)n1 ZINC000329571266 1119437753 /nfs/dbraw/zinc/43/77/53/1119437753.db2.gz IWYRPRKXMPUNJD-DYEKYZERSA-N 0 0 299.374 3.731 10 0 CHAERN CC(C)(C)Cc1noc(-c2noc3c2CCCCC3)n1 ZINC000329600307 1119446062 /nfs/dbraw/zinc/44/60/62/1119446062.db2.gz QBFIRBAORMGJPZ-UHFFFAOYSA-N 0 0 275.352 3.582 10 0 CHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)nc1F ZINC000588612255 1119585273 /nfs/dbraw/zinc/58/52/73/1119585273.db2.gz RYLHYRDTQYMIAN-HJWRWDBZSA-N 0 0 292.260 3.541 10 0 CHAERN Cc1cc(F)ccc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000101588009 1119666242 /nfs/dbraw/zinc/66/62/42/1119666242.db2.gz OMUHYQNYVWSCJL-QGZVFWFLSA-N 0 0 296.345 3.863 10 0 CHAERN CC(C)OCCC(=O)O[C@@H](C)c1cnc2ccccc2c1 ZINC000102132345 1122885060 /nfs/dbraw/zinc/88/50/60/1122885060.db2.gz ZCINEZLIZVWVTQ-ZDUSSCGKSA-N 0 0 287.359 3.654 10 0 CHAERN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCCC1(C)C ZINC000102918726 1123595682 /nfs/dbraw/zinc/59/56/82/1123595682.db2.gz CNMBEJQYODPWGX-LLVKDONJSA-N 0 0 281.783 3.508 10 0 CHAERN Cc1nc2ccccc2n1CCc1noc(C2CCCC2)n1 ZINC000329616963 1123632618 /nfs/dbraw/zinc/63/26/18/1123632618.db2.gz FSUPJODBVNXDJY-UHFFFAOYSA-N 0 0 296.374 3.628 10 0 CHAERN C[C@H]1C(=O)CC[C@@H](c2nc(CC3CCC3)no2)C1(C)C ZINC000329626466 1123633858 /nfs/dbraw/zinc/63/38/58/1123633858.db2.gz VLUDGTSMWIHVPD-JQWIXIFHSA-N 0 0 276.380 3.521 10 0 CHAERN Cc1ccc2ncc(-c3noc([C@H]4[C@@H]5CCCC[C@@H]54)n3)n2c1 ZINC000329633823 1123635407 /nfs/dbraw/zinc/63/54/07/1123635407.db2.gz XIUKYLFGAGSRNK-JYAVWHMHSA-N 0 0 294.358 3.596 10 0 CHAERN CCC1CCC(c2noc(Cc3c(C)noc3C)n2)CC1 ZINC000329707185 1123647847 /nfs/dbraw/zinc/64/78/47/1123647847.db2.gz KJSCDVSPMCMJRU-UHFFFAOYSA-N 0 0 289.379 3.949 10 0 CHAERN Cc1nc([C@@H]2CCCCCN2C(=O)C[C@@H](C)C(C)C)no1 ZINC000364096961 1125264061 /nfs/dbraw/zinc/26/40/61/1125264061.db2.gz DNAFPNWHSOEHLS-OCCSQVGLSA-N 0 0 293.411 3.504 10 0 CHAERN C=Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000192014093 1125330345 /nfs/dbraw/zinc/33/03/45/1125330345.db2.gz QUVOMYMZQGAVFK-UHFFFAOYSA-N 0 0 291.310 3.632 10 0 CHAERN CC[C@@H](CC(=O)N(C)Cc1ccc(Cl)nc1)C(C)C ZINC000104837118 1125433985 /nfs/dbraw/zinc/43/39/85/1125433985.db2.gz UGBBAJXRANVSNM-ZDUSSCGKSA-N 0 0 282.815 3.766 10 0 CHAERN C[C@@H](SCC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC000105633192 1125436887 /nfs/dbraw/zinc/43/68/87/1125436887.db2.gz IBZUEDJMDRDZDA-SNVBAGLBSA-N 0 0 269.385 3.535 10 0 CHAERN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](F)C1 ZINC000095616800 185016091 /nfs/dbraw/zinc/01/60/91/185016091.db2.gz IUMVQRATLMCWIX-KGLIPLIRSA-N 0 0 279.355 3.749 10 0 CHAERN Cc1ccc2s[nH]c(=NC(=O)OC(C)(C)C)c2c1 ZINC000095627151 185016289 /nfs/dbraw/zinc/01/62/89/185016289.db2.gz LPDZPGFGXCUFPU-UHFFFAOYSA-N 0 0 264.350 3.952 10 0 CHAERN CC(C)(C)c1cnc(Br)cc1OC1CC1 ZINC000095720087 185018787 /nfs/dbraw/zinc/01/87/87/185018787.db2.gz ZTCXSCZWLQZBSP-UHFFFAOYSA-N 0 0 270.170 3.683 10 0 CHAERN CC(C)Oc1ccc(Br)cc1OC1CC1 ZINC000095720083 185018803 /nfs/dbraw/zinc/01/88/03/185018803.db2.gz RKMUZFCLCGQHKT-UHFFFAOYSA-N 0 0 271.154 3.778 10 0 CHAERN CC(C)c1cncc(OC2CC2)c1Br ZINC000095721493 185020044 /nfs/dbraw/zinc/02/00/44/185020044.db2.gz TZNTWLOCYOOZOM-UHFFFAOYSA-N 0 0 256.143 3.509 10 0 CHAERN CC(C)(C)Oc1cnc(Br)cc1OC1CC1 ZINC000095726504 185021808 /nfs/dbraw/zinc/02/18/08/185021808.db2.gz DXJWFMDCHYSBCU-UHFFFAOYSA-N 0 0 286.169 3.563 10 0 CHAERN CSc1c(Br)cccc1OC1CC1 ZINC000095732592 185022110 /nfs/dbraw/zinc/02/21/10/185022110.db2.gz FKAGDZZPJRQBTA-UHFFFAOYSA-N 0 0 259.168 3.712 10 0 CHAERN CCCn1c(=S)[nH]nc1-c1cc(C)nc2ccccc21 ZINC000082470946 178044084 /nfs/dbraw/zinc/04/40/84/178044084.db2.gz NDKBSWYVUDABGI-UHFFFAOYSA-N 0 0 284.388 3.874 10 0 CHAERN Cc1nc(-c2ccc(Br)s2)c(N)s1 ZINC000082586119 178121162 /nfs/dbraw/zinc/12/11/62/178121162.db2.gz BIJPWRBBIMDPIT-UHFFFAOYSA-N 0 0 275.196 3.525 10 0 CHAERN CC(C)CCNc1ncc(Br)cc1Cl ZINC000082586172 178122386 /nfs/dbraw/zinc/12/23/86/178122386.db2.gz YQKIJTFEYQWJAZ-UHFFFAOYSA-N 0 0 277.593 3.956 10 0 CHAERN COc1c(Br)cc(Cl)c2cccnc21 ZINC000095933514 185033144 /nfs/dbraw/zinc/03/31/44/185033144.db2.gz LESGPPSIBAXUNN-UHFFFAOYSA-N 0 0 272.529 3.659 10 0 CHAERN Fc1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1 ZINC000095935702 185033332 /nfs/dbraw/zinc/03/33/32/185033332.db2.gz JATYRDKBUCGUMW-UHFFFAOYSA-N 0 0 253.491 3.529 10 0 CHAERN CCc1ncc(-c2ccc(Br)cc2)o1 ZINC000095936438 185034062 /nfs/dbraw/zinc/03/40/62/185034062.db2.gz FHDDIXIHRMAJHL-UHFFFAOYSA-N 0 0 252.111 3.667 10 0 CHAERN C/C=C\c1ccc(OCC(=O)C(C)(C)C)c(OC)c1 ZINC000095938383 185034865 /nfs/dbraw/zinc/03/48/65/185034865.db2.gz RBVVBFPFHMZIKS-SREVYHEPSA-N 0 0 262.349 3.722 10 0 CHAERN CN1CCCC[C@@H]1Oc1cccc(C(F)(F)F)c1 ZINC000095940649 185036726 /nfs/dbraw/zinc/03/67/26/185036726.db2.gz PZFWFQRWLOTEPA-LBPRGKRZSA-N 0 0 259.271 3.526 10 0 CHAERN Cc1ccc(Br)c2c(Cl)nccc12 ZINC000082766616 178280412 /nfs/dbraw/zinc/28/04/12/178280412.db2.gz PJNQJISPJPYLND-UHFFFAOYSA-N 0 0 256.530 3.959 10 0 CHAERN Fc1cccc2c(Cl)ncc(Br)c12 ZINC000082767442 178281802 /nfs/dbraw/zinc/28/18/02/178281802.db2.gz IUKKMWZMOPEMMG-UHFFFAOYSA-N 0 0 260.493 3.790 10 0 CHAERN COc1cc(C)c(C(=O)Cc2ccccc2)cc1C ZINC000083187704 178352008 /nfs/dbraw/zinc/35/20/08/178352008.db2.gz SGAYKEPYHSTTMS-UHFFFAOYSA-N 0 0 254.329 3.737 10 0 CHAERN Cc1ccnc(Cl)c1NCc1ccc(F)cc1 ZINC000083383933 178387473 /nfs/dbraw/zinc/38/74/73/178387473.db2.gz KDBYYNJSWYVQJC-UHFFFAOYSA-N 0 0 250.704 3.795 10 0 CHAERN Fc1cc(F)cc(CNc2cccnc2Cl)c1 ZINC000083407107 178414025 /nfs/dbraw/zinc/41/40/25/178414025.db2.gz KEFPNJTYKJUSRC-UHFFFAOYSA-N 0 0 254.667 3.625 10 0 CHAERN CC(=O)c1cc2ccc(Br)cc2s1 ZINC000096884117 185119137 /nfs/dbraw/zinc/11/91/37/185119137.db2.gz DMLYEOVWNNHIIX-UHFFFAOYSA-N 0 0 255.136 3.866 10 0 CHAERN CCc1csc([C@H]2CCCN(C(=O)C(C)(C)CC)C2)n1 ZINC000113205946 529692959 /nfs/dbraw/zinc/69/29/59/529692959.db2.gz ZYQRGWQDWTYOID-LBPRGKRZSA-N 0 0 294.464 3.848 10 0 CHAERN CC(C)[C@@H]1CN(Cc2ccccc2)c2c(N)cccc2O1 ZINC000074407848 136487346 /nfs/dbraw/zinc/48/73/46/136487346.db2.gz JVSAULZOCHHGRC-KRWDZBQOSA-N 0 0 282.387 3.692 10 0 CHAERN CC(C)(C)OC(=O)Nc1cc(F)cc(Br)c1 ZINC000097758705 185663199 /nfs/dbraw/zinc/66/31/99/185663199.db2.gz CYZOFJXGDFDBSG-UHFFFAOYSA-N 0 0 290.132 3.935 10 0 CHAERN Cc1ccc(NC=C2N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000100142736 185706389 /nfs/dbraw/zinc/70/63/89/185706389.db2.gz IJRJIFVKPUMILC-WJDWOHSUSA-N 0 0 292.338 3.560 10 0 CHAERN CC(C)(C)[C@@H]1CCc2nc(NC3CC3)sc2C1 ZINC000103986253 185876492 /nfs/dbraw/zinc/87/64/92/185876492.db2.gz XQDOPICZJDZBSU-SECBINFHSA-N 0 0 250.411 3.868 10 0 CHAERN CCOC(=O)c1ccc(N[C@@H](C)C2CCCC2)cc1 ZINC000104046039 185886042 /nfs/dbraw/zinc/88/60/42/185886042.db2.gz QQMRXJVREUTTHQ-LBPRGKRZSA-N 0 0 261.365 3.854 10 0 CHAERN COC[C@@H](C)Nc1ccc(Cl)c(Br)c1 ZINC000087152779 179398171 /nfs/dbraw/zinc/39/81/71/179398171.db2.gz ZYDQXTQUGAAPGI-SSDOTTSWSA-N 0 0 278.577 3.549 10 0 CHAERN CCCOc1cc(N(CCC)C2CC2)c(N)cc1F ZINC000104136458 185905201 /nfs/dbraw/zinc/90/52/01/185905201.db2.gz CCQNFEWQSWEUGT-UHFFFAOYSA-N 0 0 266.360 3.576 10 0 CHAERN Cc1cc(C)cc(C(=O)c2ccc(Br)o2)c1 ZINC000087284424 179408091 /nfs/dbraw/zinc/40/80/91/179408091.db2.gz BALVEBUZHDBCJA-UHFFFAOYSA-N 0 0 279.133 3.890 10 0 CHAERN Cc1cc2ncn(C(=O)OC(C)(C)C)c2cc1Cl ZINC000089194959 179750509 /nfs/dbraw/zinc/75/05/09/179750509.db2.gz RLZMITWZXUHEDL-UHFFFAOYSA-N 0 0 266.728 3.781 10 0 CHAERN COc1cccc(C[C@@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104434232 186000252 /nfs/dbraw/zinc/00/02/52/186000252.db2.gz XJGKTLLJSNVMCJ-OCCSQVGLSA-N 0 0 250.382 3.671 10 0 CHAERN COc1cccc(C[C@@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104434228 186000572 /nfs/dbraw/zinc/00/05/72/186000572.db2.gz XJGKTLLJSNVMCJ-JSGCOSHPSA-N 0 0 250.382 3.671 10 0 CHAERN O=c1cc(SCc2ccccc2)[nH]c2ccccc12 ZINC000090649674 180018250 /nfs/dbraw/zinc/01/82/50/180018250.db2.gz WIEHDJIKIKYDKB-UHFFFAOYSA-N 0 0 267.353 3.820 10 0 CHAERN COc1ccc(-c2cc(=O)oc3ccc(C)cc32)c(C=O)c1 ZINC000090668925 180020022 /nfs/dbraw/zinc/02/00/22/180020022.db2.gz KEGYLZCPOQFFBJ-UHFFFAOYSA-N 0 0 294.306 3.590 10 0 CHAERN O=Cc1cnc2ccccc2c1N(CC1CC1)CC1CC1 ZINC000090669462 180020233 /nfs/dbraw/zinc/02/02/33/180020233.db2.gz OJIVJYFCRDZATG-UHFFFAOYSA-N 0 0 280.371 3.674 10 0 CHAERN c1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000090751745 180036424 /nfs/dbraw/zinc/03/64/24/180036424.db2.gz PMPSPYOWJBTEEB-UHFFFAOYSA-N 0 0 288.310 3.589 10 0 CHAERN CC(=O)N1CCc2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000090759602 180037368 /nfs/dbraw/zinc/03/73/68/180037368.db2.gz NIBAUFLJZPWHJZ-LJQANCHMSA-N 0 0 290.366 3.662 10 0 CHAERN CCCC[C@H](CC)CN1C(=O)c2cscc2C1=O ZINC000091301383 180128354 /nfs/dbraw/zinc/12/83/54/180128354.db2.gz PCLDQMLVTDTSOU-JTQLQIEISA-N 0 0 265.378 3.561 10 0 CHAERN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(N)cc2)CC1 ZINC000091675926 180224945 /nfs/dbraw/zinc/22/49/45/180224945.db2.gz BXFZKBFBMLUTOL-CYBMUJFWSA-N 0 0 290.407 3.773 10 0 CHAERN O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1ccco1 ZINC000121073619 186948955 /nfs/dbraw/zinc/94/89/55/186948955.db2.gz AZHRKWCUHOFNGS-NWDGAFQWSA-N 0 0 261.708 3.675 10 0 CHAERN Oc1ccc(Cl)cc1[C@@H](O)c1ccc(Cl)cc1 ZINC000139705181 187907257 /nfs/dbraw/zinc/90/72/57/187907257.db2.gz MTMRUKXRIKPNPD-ZDUSSCGKSA-N 0 0 269.127 3.781 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1cccnc1 ZINC000168679413 188651405 /nfs/dbraw/zinc/65/14/05/188651405.db2.gz GGOHHUHCISYDOX-SNPRPXQTSA-N 0 0 261.365 3.699 10 0 CHAERN Cc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)ncc1Br ZINC000301850777 261343482 /nfs/dbraw/zinc/34/34/82/261343482.db2.gz WSZDRTVRLKSWIK-TXEJJXNPSA-N 0 0 293.208 3.555 10 0 CHAERN O=C(c1ccc(Cl)cc1O)N1CCCC12CCCC2 ZINC000311872117 262342450 /nfs/dbraw/zinc/34/24/50/262342450.db2.gz XCGNQMNTEKYNQW-UHFFFAOYSA-N 0 0 279.767 3.594 10 0 CHAERN O=Cc1ccc(-c2ccccc2Br)cc1 ZINC000001257408 169692802 /nfs/dbraw/zinc/69/28/02/169692802.db2.gz ZJESBIYQYKDPMD-UHFFFAOYSA-N 0 0 261.118 3.929 10 0 CHAERN Cc1ccc2c(c1)CCCN2CC(=O)c1cccc(F)c1 ZINC000035036699 134787513 /nfs/dbraw/zinc/78/75/13/134787513.db2.gz NLJIPJUQSIXYCS-UHFFFAOYSA-N 0 0 283.346 3.770 10 0 CHAERN CC[C@H]1CCCCN1c1cccc(F)c1[C@@H](C)O ZINC000035631617 134800464 /nfs/dbraw/zinc/80/04/64/134800464.db2.gz SONZDVSVAKDXHS-NEPJUHHUSA-N 0 0 251.345 3.648 10 0 CHAERN CC[C@@H]1CCCN(c2ccc(F)cc2[C@@H](C)O)C1 ZINC000036170052 134808262 /nfs/dbraw/zinc/80/82/62/134808262.db2.gz JBRLDASWFMXIAN-VXGBXAGGSA-N 0 0 251.345 3.505 10 0 CHAERN C[C@H]1c2ccsc2CCN1c1ccc(C=O)cc1F ZINC000042770246 134896990 /nfs/dbraw/zinc/89/69/90/134896990.db2.gz AMJMKVDANCUWQI-JTQLQIEISA-N 0 0 275.348 3.823 10 0 CHAERN COCCCn1c(C)csc1=Nc1ccc(Cl)cc1 ZINC000004381746 169963415 /nfs/dbraw/zinc/96/34/15/169963415.db2.gz JJPJDOKXJJABSP-UHFFFAOYSA-O 0 0 297.831 3.778 10 0 CHAERN CSc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000005414349 170096575 /nfs/dbraw/zinc/09/65/75/170096575.db2.gz REXRHWIVTHYSTO-ZETCQYMHSA-N 0 0 250.392 3.538 10 0 CHAERN CCCCCNC(=O)/C=C/c1cccc(Cl)c1 ZINC000005463689 170101740 /nfs/dbraw/zinc/10/17/40/170101740.db2.gz CZJVVLGSZWGHBP-CMDGGOBGSA-N 0 0 251.757 3.660 10 0 CHAERN CCO[C@H](c1ccc(C)cc1)[C@H](O)c1ccccc1 ZINC000005474863 170102720 /nfs/dbraw/zinc/10/27/20/170102720.db2.gz KCVWBZONGDKVCI-IAGOWNOFSA-N 0 0 256.345 3.806 10 0 CHAERN CCCCOC(=O)c1cccc(NC(=O)CCCC)c1 ZINC000005524746 170108008 /nfs/dbraw/zinc/10/80/08/170108008.db2.gz RGRXXQFDJBUVEP-UHFFFAOYSA-N 0 0 277.364 3.772 10 0 CHAERN Cc1cc(C)c(C)c(OCc2ccc(C(N)=S)cc2)c1 ZINC000005592555 170117305 /nfs/dbraw/zinc/11/73/05/170117305.db2.gz ODOPFKKEVWIOAZ-UHFFFAOYSA-N 0 0 285.412 3.825 10 0 CHAERN CCCCN(CCCC)S(=O)(=O)c1ccc(CC)cc1 ZINC000005596418 170117692 /nfs/dbraw/zinc/11/76/92/170117692.db2.gz PPUYXVBJXIHCAU-UHFFFAOYSA-N 0 0 297.464 3.840 10 0 CHAERN CCCCOC(=O)Nc1cccc(C(=O)OCCCC)c1 ZINC000005597102 170117702 /nfs/dbraw/zinc/11/77/02/170117702.db2.gz INQPTCBWIJCHTI-UHFFFAOYSA-N 0 0 293.363 3.992 10 0 CHAERN COc1cc(NC(=O)/C=C/c2ccc(C)cc2)cc(OC)c1 ZINC000005681654 170128097 /nfs/dbraw/zinc/12/80/97/170128097.db2.gz JLMPWCICXWRUQP-CMDGGOBGSA-N 0 0 297.354 3.664 10 0 CHAERN O=C(Nc1nc(-c2ccccc2)cs1)Nc1ccncc1 ZINC000005741183 170135672 /nfs/dbraw/zinc/13/56/72/170135672.db2.gz BBHQZBKWQJKGMF-UHFFFAOYSA-N 0 0 296.355 3.849 10 0 CHAERN Clc1nnc(NCCc2ccccc2)c2ccccc12 ZINC000005773371 170139244 /nfs/dbraw/zinc/13/92/44/170139244.db2.gz DPFZCZHTIUBCEL-UHFFFAOYSA-N 0 0 283.762 3.938 10 0 CHAERN CC[C@H](C)Oc1cc(N)nc(Sc2ccc(C)cc2)n1 ZINC000005846466 170146492 /nfs/dbraw/zinc/14/64/92/170146492.db2.gz LTTFEUFWKMVZPR-NSHDSACASA-N 0 0 289.404 3.696 10 0 CHAERN CC(C)c1c(Sc2cccc(Cl)c2)nc(CO)n1C ZINC000005882436 170150068 /nfs/dbraw/zinc/15/00/68/170150068.db2.gz JLFLIZWNURHPRT-UHFFFAOYSA-N 0 0 296.823 3.840 10 0 CHAERN O=C(/C=C\c1c(F)cccc1Cl)Nc1cccnc1 ZINC000005932166 170157194 /nfs/dbraw/zinc/15/71/94/170157194.db2.gz AVYUVLHWLSMEJX-SREVYHEPSA-N 0 0 276.698 3.526 10 0 CHAERN Nc1cccc2sc(-c3ccccc3)cc(=O)c12 ZINC000005939295 170158985 /nfs/dbraw/zinc/15/89/85/170158985.db2.gz DKXQGOMROKROJT-UHFFFAOYSA-N 0 0 253.326 3.511 10 0 CHAERN CCOc1ccc(C(=O)Nc2cccc(O)c2)cc1Cl ZINC000005949381 170161004 /nfs/dbraw/zinc/16/10/04/170161004.db2.gz CCCAPGLTUJYODZ-UHFFFAOYSA-N 0 0 291.734 3.697 10 0 CHAERN CCCCOC(=O)c1cccc(NC(=O)OCCC)c1 ZINC000005951541 170161424 /nfs/dbraw/zinc/16/14/24/170161424.db2.gz OZKCZWIMGFWTFC-UHFFFAOYSA-N 0 0 279.336 3.602 10 0 CHAERN Clc1cccc(Sc2nc(Cl)nc3[nH]cnc32)c1 ZINC000005974037 170164549 /nfs/dbraw/zinc/16/45/49/170164549.db2.gz VYMCXEDCWPRBBQ-UHFFFAOYSA-N 0 0 297.170 3.811 10 0 CHAERN Clc1ccccc1Sc1nc(Cl)nc2[nH]cnc21 ZINC000005974376 170164926 /nfs/dbraw/zinc/16/49/26/170164926.db2.gz IYALHUUXPBPCST-UHFFFAOYSA-N 0 0 297.170 3.811 10 0 CHAERN CCCCCNC(=O)/C=C/c1ccc(Br)cc1 ZINC000006042281 170170730 /nfs/dbraw/zinc/17/07/30/170170730.db2.gz BEEGZFCPKUTHFD-JXMROGBWSA-N 0 0 296.208 3.769 10 0 CHAERN CC(C)NC(=O)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000006263043 170186812 /nfs/dbraw/zinc/18/68/12/170186812.db2.gz WNCXEYSIVVOGFZ-UHFFFAOYSA-N 0 0 298.430 3.688 10 0 CHAERN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006272556 170187660 /nfs/dbraw/zinc/18/76/60/170187660.db2.gz BPLIPLHPSCABLH-JJGIJDNGSA-N 0 0 257.377 3.513 10 0 CHAERN C/C(=C/c1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000006301108 170189325 /nfs/dbraw/zinc/18/93/25/170189325.db2.gz XBZHAXVUPHPQJG-SQFISAMPSA-N 0 0 265.356 3.749 10 0 CHAERN S=C1N=NC(C2CC2)N1c1ccc(Cl)c(Cl)c1 ZINC000006713402 170231372 /nfs/dbraw/zinc/23/13/72/170231372.db2.gz JVXFZQSSGQJMKC-UHFFFAOYSA-N 0 0 286.187 3.740 10 0 CHAERN COc1ccc(C)cc1NC(=O)n1ncc2c1cccc2C ZINC000006768827 170242490 /nfs/dbraw/zinc/24/24/90/170242490.db2.gz LWSKSKROBDAROV-UHFFFAOYSA-N 0 0 295.342 3.742 10 0 CHAERN CN(Cc1ccccc1)C(=O)c1ccnc(C(C)(C)C)c1 ZINC000006882849 170252602 /nfs/dbraw/zinc/25/26/02/170252602.db2.gz GDONPVIFMUHOIM-UHFFFAOYSA-N 0 0 282.387 3.651 10 0 CHAERN CN(C(=O)c1ccnc(C(C)(C)C)c1)c1ccccc1 ZINC000006882851 170252628 /nfs/dbraw/zinc/25/26/28/170252628.db2.gz ZCGZMFJKFWLGQW-UHFFFAOYSA-N 0 0 268.360 3.656 10 0 CHAERN O=c1c(NCCC2=CCCCC2)nccn1-c1ccccc1 ZINC000006914810 170255024 /nfs/dbraw/zinc/25/50/24/170255024.db2.gz KPMCZZWCVBOMLH-UHFFFAOYSA-N 0 0 295.386 3.535 10 0 CHAERN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000007184898 170270489 /nfs/dbraw/zinc/27/04/89/170270489.db2.gz NEWRWTQUYNALLO-VIFPVBQESA-N 0 0 295.169 3.879 10 0 CHAERN OC1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000007777675 170301549 /nfs/dbraw/zinc/30/15/49/170301549.db2.gz JLNBOSYEXAMBTH-UHFFFAOYSA-N 0 0 276.767 3.604 10 0 CHAERN Cc1ccccc1/C=C/C(=O)NCc1ccccc1C ZINC000007976707 170311290 /nfs/dbraw/zinc/31/12/90/170311290.db2.gz NWDYGNUAEWXKBO-VAWYXSNFSA-N 0 0 265.356 3.633 10 0 CHAERN Cc1ccc(/C=C/C(=O)NC2CCCC2)cc1Cl ZINC000008081710 170318430 /nfs/dbraw/zinc/31/84/30/170318430.db2.gz YLNHMEBWOIUTRD-CMDGGOBGSA-N 0 0 263.768 3.720 10 0 CHAERN Cc1ccc(C2=NN[C@H](c3ccc(F)cc3)C2)cc1 ZINC000008550050 170339674 /nfs/dbraw/zinc/33/96/74/170339674.db2.gz ZXZYDPDHXBFPHG-INIZCTEOSA-N 0 0 254.308 3.573 10 0 CHAERN CCCCCC(=O)Nc1ccc(OCCOCC)cc1 ZINC000009878919 170388246 /nfs/dbraw/zinc/38/82/46/170388246.db2.gz UJUALRXHGYYFJT-UHFFFAOYSA-N 0 0 279.380 3.621 10 0 CHAERN CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1C(=O)[O-] ZINC000010475348 170408220 /nfs/dbraw/zinc/40/82/20/170408220.db2.gz WLSUXKQNMJRISX-UHFFFAOYSA-N 0 0 263.381 3.689 10 0 CHAERN CCCCCOc1c(Cl)cc(C=O)cc1OC ZINC000011994292 170465806 /nfs/dbraw/zinc/46/58/06/170465806.db2.gz YGBYKTFVZRFQTN-UHFFFAOYSA-N 0 0 256.729 3.730 10 0 CHAERN CCCC(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1 ZINC000012090363 170468630 /nfs/dbraw/zinc/46/86/30/170468630.db2.gz DOHSVALLKUIRTO-UHFFFAOYSA-N 0 0 285.347 3.624 10 0 CHAERN CC(C)Sc1ccc(CC(=O)N2CCCCC2)cc1 ZINC000012071130 170468658 /nfs/dbraw/zinc/46/86/58/170468658.db2.gz MZYLJSZDFVKTEQ-UHFFFAOYSA-N 0 0 277.433 3.742 10 0 CHAERN CSCc1csc(NC(=O)c2ccccc2C)n1 ZINC000012287034 170474897 /nfs/dbraw/zinc/47/48/97/170474897.db2.gz QMYSAUSCXGYCJA-UHFFFAOYSA-N 0 0 278.402 3.567 10 0 CHAERN COc1cc2c(c(OC)c1C)C(=O)C[C@H](c1ccccc1)O2 ZINC000013334938 170545790 /nfs/dbraw/zinc/54/57/90/170545790.db2.gz XYMPWWTYELQXGU-OAHLLOKOSA-N 0 0 298.338 3.719 10 0 endogenous,in-man CHAERN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)on1 ZINC000013596659 170567208 /nfs/dbraw/zinc/56/72/08/170567208.db2.gz QOEFETUUGWZCIJ-UHFFFAOYSA-N 0 0 271.103 3.542 10 0 CHAERN CCOc1ccc(C(=O)NC2CCCCC2)c(OCC)c1 ZINC000014646757 170641187 /nfs/dbraw/zinc/64/11/87/170641187.db2.gz LQUJNKMXVBYQSD-UHFFFAOYSA-N 0 0 291.391 3.547 10 0 CHAERN CC(C)Oc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000014780268 170645105 /nfs/dbraw/zinc/64/51/05/170645105.db2.gz IEAYJXADCMXDJB-UHFFFAOYSA-N 0 0 284.311 3.506 10 0 CHAERN Cc1ccc(CNC(=O)/C=C/c2cccc(C)c2)cc1 ZINC000015896882 170681188 /nfs/dbraw/zinc/68/11/88/170681188.db2.gz IKUJIXOBIONHCS-ZHACJKMWSA-N 0 0 265.356 3.633 10 0 CHAERN Cc1ccc(-c2nc(C(=O)N[C@H](C)C3CC3)cs2)cc1 ZINC000018208033 170747992 /nfs/dbraw/zinc/74/79/92/170747992.db2.gz JXYJNRUNRRNSBQ-LLVKDONJSA-N 0 0 286.400 3.647 10 0 CHAERN Nc1cc2ccccc2cc1-c1nc2ccccc2[nH]1 ZINC000019276626 170769668 /nfs/dbraw/zinc/76/96/68/170769668.db2.gz POWSIVPQNZWHIJ-UHFFFAOYSA-N 0 0 259.312 3.965 10 0 CHAERN Cc1ccc(N)c(C)c1NC(=O)c1cc2ccccc2o1 ZINC000019483912 170811233 /nfs/dbraw/zinc/81/12/33/170811233.db2.gz AQNSAGLKIUPBIO-UHFFFAOYSA-N 0 0 280.327 3.884 10 0 CHAERN Cc1ccc(C(=O)Nc2c(C)ccc(N)c2C)cc1C ZINC000019483914 170811338 /nfs/dbraw/zinc/81/13/38/170811338.db2.gz VQDDGKCHSDMZIV-UHFFFAOYSA-N 0 0 268.360 3.755 10 0 CHAERN COc1ccc(COc2ccc(N)cc2Cl)cc1 ZINC000019488285 170813876 /nfs/dbraw/zinc/81/38/76/170813876.db2.gz HKAUBSIRDWDAAW-UHFFFAOYSA-N 0 0 263.724 3.510 10 0 CHAERN CCCN(CCC)C(=O)[C@@H]1C[C@H](C)Nc2ccccc21 ZINC000019518722 170824909 /nfs/dbraw/zinc/82/49/09/170824909.db2.gz FHGRPUPJRGWTRP-DZGCQCFKSA-N 0 0 274.408 3.623 10 0 CHAERN Nc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000019811228 170879102 /nfs/dbraw/zinc/87/91/02/170879102.db2.gz CGNLNZXSLJJXGI-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN c1ccc(Oc2ccccc2NC[C@H]2CCOC2)cc1 ZINC000019904220 170915946 /nfs/dbraw/zinc/91/59/46/170915946.db2.gz BUTZSVVJIZGKDJ-CQSZACIVSA-N 0 0 269.344 3.927 10 0 CHAERN CCN(c1ccc(C(N)=S)cc1)c1ccccc1C ZINC000020008691 170968009 /nfs/dbraw/zinc/96/80/09/170968009.db2.gz LWEMVVGOMHAEJX-UHFFFAOYSA-N 0 0 270.401 3.787 10 0 CHAERN CC(C)c1ccc(NCc2cc(C(N)=O)ccc2F)cc1 ZINC000020047444 170978067 /nfs/dbraw/zinc/97/80/67/170978067.db2.gz NIUNEVVPPHOHRF-UHFFFAOYSA-N 0 0 286.350 3.660 10 0 CHAERN COc1ccccc1CNc1ccc2[nH]ccc2c1 ZINC000020132276 171020427 /nfs/dbraw/zinc/02/04/27/171020427.db2.gz CTQIABTXJITBQX-UHFFFAOYSA-N 0 0 252.317 3.789 10 0 CHAERN CCC(=O)Nc1cccc(N[C@H](C)c2ccco2)c1 ZINC000020132027 171020631 /nfs/dbraw/zinc/02/06/31/171020631.db2.gz YBFNOKUIVRSBHQ-LLVKDONJSA-N 0 0 258.321 3.801 10 0 CHAERN Cc1nn(C)c(C)c1NCc1c(C)cc(C)cc1C ZINC000020134620 171022811 /nfs/dbraw/zinc/02/28/11/171022811.db2.gz UHUNECGAQFHEGX-UHFFFAOYSA-N 0 0 257.381 3.574 10 0 CHAERN Cc1nc2cc(N[C@H](C)c3cccnc3)ccc2o1 ZINC000020144029 171029674 /nfs/dbraw/zinc/02/96/74/171029674.db2.gz OGTQTFBYAMLWAP-SNVBAGLBSA-N 0 0 253.305 3.704 10 0 CHAERN CC(C)c1ccc(COc2ccc(CO)cc2)cc1 ZINC000020302736 171139834 /nfs/dbraw/zinc/13/98/34/171139834.db2.gz MKHGBMTUTCBPID-UHFFFAOYSA-N 0 0 256.345 3.881 10 0 CHAERN CCc1ccc(NC(=O)c2cccc(Cl)c2)cc1N ZINC000020344151 171153407 /nfs/dbraw/zinc/15/34/07/171153407.db2.gz UISJVBDRQIMUMT-UHFFFAOYSA-N 0 0 274.751 3.737 10 0 CHAERN Cn1cccc1CNc1cc(Cl)ccc1Cl ZINC000020358994 171158123 /nfs/dbraw/zinc/15/81/23/171158123.db2.gz BIDFVTULLNKZES-UHFFFAOYSA-N 0 0 255.148 3.944 10 0 CHAERN O=C(Nc1ccc(Cl)cn1)c1ccc2ccccc2c1O ZINC000020363114 171162207 /nfs/dbraw/zinc/16/22/07/171162207.db2.gz KELWPXXCRZXARU-UHFFFAOYSA-N 0 0 298.729 3.846 10 0 CHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccc(F)cc1Cl ZINC000020366814 171165172 /nfs/dbraw/zinc/16/51/72/171165172.db2.gz YZSAUZPWARULMX-VIFPVBQESA-N 0 0 286.778 3.584 10 0 CHAERN Cc1ccc(N[C@H](C)C(=O)NCCC(C)C)c(Cl)c1 ZINC000020366644 171165268 /nfs/dbraw/zinc/16/52/68/171165268.db2.gz SZPMPQDQNKBEAX-GFCCVEGCSA-N 0 0 282.815 3.611 10 0 CHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(F)cc1Cl ZINC000020366813 171165510 /nfs/dbraw/zinc/16/55/10/171165510.db2.gz YZSAUZPWARULMX-SECBINFHSA-N 0 0 286.778 3.584 10 0 CHAERN CCc1cc2c([nH]c(-c3ccccc3C)nc2=O)s1 ZINC000020369115 171167175 /nfs/dbraw/zinc/16/71/75/171167175.db2.gz VCTLRSMEAOYXGL-UHFFFAOYSA-N 0 0 270.357 3.522 10 0 CHAERN Nc1ccc(NCCc2ccc(F)cc2)c(Cl)c1 ZINC000020382341 171173276 /nfs/dbraw/zinc/17/32/76/171173276.db2.gz BFLBTFKFJWWWSN-UHFFFAOYSA-N 0 0 264.731 3.716 10 0 CHAERN Nc1cc(Br)ccc1NCCc1cccs1 ZINC000020383863 171173703 /nfs/dbraw/zinc/17/37/03/171173703.db2.gz QTPWGAWKUCBDQH-UHFFFAOYSA-N 0 0 297.221 3.747 10 0 CHAERN Cc1ccc2cc([C@H](N)c3ccc(F)cc3)oc2c1 ZINC000020389294 171178000 /nfs/dbraw/zinc/17/80/00/171178000.db2.gz HHOWTSFHEFLEFS-MRXNPFEDSA-N 0 0 255.292 3.928 10 0 CHAERN Oc1ccc(Oc2cccc(Br)c2)cc1 ZINC000020391261 171179820 /nfs/dbraw/zinc/17/98/20/171179820.db2.gz XQVUQRPTZAUIOS-UHFFFAOYSA-N 0 0 265.106 3.947 10 0 CHAERN C[C@@H](Nc1ccc(F)cc1Br)C1CC1 ZINC000020430507 171195533 /nfs/dbraw/zinc/19/55/33/171195533.db2.gz VLILMCRMZXXZKW-SSDOTTSWSA-N 0 0 258.134 3.799 10 0 CHAERN Nc1cc(Br)ccc1NCc1cccc(F)c1 ZINC000020473487 171217492 /nfs/dbraw/zinc/21/74/92/171217492.db2.gz ARQWUEYUJFOITH-UHFFFAOYSA-N 0 0 295.155 3.783 10 0 CHAERN OCc1ccc(Oc2ccc(Br)cc2F)cc1 ZINC000020474050 171218208 /nfs/dbraw/zinc/21/82/08/171218208.db2.gz ASVZPWRCTVISLO-UHFFFAOYSA-N 0 0 297.123 3.873 10 0 CHAERN Nc1ccc(Oc2cccc3cccnc32)c(F)c1 ZINC000020474956 171219383 /nfs/dbraw/zinc/21/93/83/171219383.db2.gz XGOYJWMIRSVSQW-UHFFFAOYSA-N 0 0 254.264 3.748 10 0 CHAERN CC(C)CSCCC(=O)Nc1cc(Cl)ccc1N ZINC000020484254 171224459 /nfs/dbraw/zinc/22/44/59/171224459.db2.gz SRQDPEXCKLUFLX-UHFFFAOYSA-N 0 0 286.828 3.640 10 0 CHAERN Cn1cc(CNc2c(Cl)cc(Cl)cc2Cl)cn1 ZINC000020505026 171227964 /nfs/dbraw/zinc/22/79/64/171227964.db2.gz GPKGAEKADJDRRS-UHFFFAOYSA-N 0 0 290.581 3.992 10 0 CHAERN C[C@H]1CCC[C@@H](OCc2cc(C(N)=S)ccc2F)C1 ZINC000020516040 171232392 /nfs/dbraw/zinc/23/23/92/171232392.db2.gz OMMZIIHJPJTJJL-GXFFZTMASA-N 0 0 281.396 3.555 10 0 CHAERN CCOc1ccccc1N[C@H](C)CC(C)(C)OC ZINC000020524229 171237403 /nfs/dbraw/zinc/23/74/03/171237403.db2.gz NFADJNYRHKADOJ-GFCCVEGCSA-N 0 0 251.370 3.701 10 0 CHAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1cc(C(N)=S)ccn1 ZINC000020548787 171245791 /nfs/dbraw/zinc/24/57/91/171245791.db2.gz GYRKTVNMZBZODE-YUTCNCBUSA-N 0 0 292.448 3.555 10 0 CHAERN Fc1cccc(Cn2c3ccccc3[nH]c2=S)c1 ZINC000020584479 171258297 /nfs/dbraw/zinc/25/82/97/171258297.db2.gz WDCUBJZZCXCRQT-UHFFFAOYSA-N 0 0 258.321 3.886 10 0 CHAERN CC(C)NC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000020986048 171282840 /nfs/dbraw/zinc/28/28/40/171282840.db2.gz HEHRBGHZYIJJKW-UHFFFAOYSA-N 0 0 284.384 3.830 10 0 CHAERN CCCCC(=O)Nc1cc(NC(=O)CCC)ccc1OC ZINC000021003985 171285077 /nfs/dbraw/zinc/28/50/77/171285077.db2.gz FGYVQZIIYKPBMM-UHFFFAOYSA-N 0 0 292.379 3.563 10 0 CHAERN CCCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)CC ZINC000021005390 171285103 /nfs/dbraw/zinc/28/51/03/171285103.db2.gz GEXRCBMHIQHDCL-LBPRGKRZSA-N 0 0 276.380 3.800 10 0 CHAERN CCN(CC)C(=O)c1c(C)c(Cl)c(C)c(F)c1F ZINC000021266536 171300592 /nfs/dbraw/zinc/30/05/92/171300592.db2.gz PJOMOSIIWIVJRK-UHFFFAOYSA-N 0 0 275.726 3.717 10 0 CHAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCCO2 ZINC000021502432 171306358 /nfs/dbraw/zinc/30/63/58/171306358.db2.gz OGUNNTIFIKMLHC-HBBFGDNQSA-N 0 0 261.365 3.694 10 0 CHAERN CC1(C)Cc2cccc(Oc3ccc(C(N)=S)cc3)c2O1 ZINC000021508407 171308958 /nfs/dbraw/zinc/30/89/58/171308958.db2.gz OZOAQDWBKKLGKD-UHFFFAOYSA-N 0 0 299.395 3.827 10 0 CHAERN FC(F)(F)CNC(Cc1ccccc1)Cc1ccccc1 ZINC000021510962 171310146 /nfs/dbraw/zinc/31/01/46/171310146.db2.gz QFJXSEZZRNETCD-UHFFFAOYSA-N 0 0 293.332 3.992 10 0 CHAERN CC(=O)c1ccc(N(C)Cc2ccc(C)cc2)c(F)c1 ZINC000021516304 171312889 /nfs/dbraw/zinc/31/28/89/171312889.db2.gz MKLYBHJYNKNDGQ-UHFFFAOYSA-N 0 0 271.335 3.973 10 0 CHAERN CC[C@@H]1CCCC[C@@H]1Oc1ccccc1C(N)=S ZINC000021791605 171324232 /nfs/dbraw/zinc/32/42/32/171324232.db2.gz FIXWAUXPXCDGCX-YPMHNXCESA-N 0 0 263.406 3.668 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000021960409 171342376 /nfs/dbraw/zinc/34/23/76/171342376.db2.gz BDHUWSXQPYVGOK-UHFFFAOYSA-N 0 0 299.132 3.967 10 0 CHAERN Nc1cc(F)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000021964676 171343619 /nfs/dbraw/zinc/34/36/19/171343619.db2.gz LAUZXPCUZBYCRF-UHFFFAOYSA-N 0 0 298.239 3.679 10 0 CHAERN CCc1cc2c(cccc2O)n1Cc1ccccc1 ZINC000022010788 171349155 /nfs/dbraw/zinc/34/91/55/171349155.db2.gz NOJRMCOLPORPBZ-UHFFFAOYSA-N 0 0 251.329 3.958 10 0 CHAERN C/C=C/C(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000022333732 171385372 /nfs/dbraw/zinc/38/53/72/171385372.db2.gz RYXFUKWLZJEVMV-XUYKHGSPSA-N 0 0 295.357 3.876 10 0 CHAERN Cc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)no1 ZINC000027325013 171513658 /nfs/dbraw/zinc/51/36/58/171513658.db2.gz HTONKIPMZGTSHW-LBPRGKRZSA-N 0 0 280.327 3.627 10 0 CHAERN CCOc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 ZINC000032099894 171696685 /nfs/dbraw/zinc/69/66/85/171696685.db2.gz UWEDLVHIAKVYOM-UHFFFAOYSA-N 0 0 265.312 3.594 10 0 CHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccnc1 ZINC000034153138 171833282 /nfs/dbraw/zinc/83/32/82/171833282.db2.gz GGOHHUHCISYDOX-BPLDGKMQSA-N 0 0 261.365 3.699 10 0 CHAERN COc1ccc([C@H](O)c2cc3ccccc3o2)cc1 ZINC000034486729 171841630 /nfs/dbraw/zinc/84/16/30/171841630.db2.gz OYMSMEAFOXYCCM-INIZCTEOSA-N 0 0 254.285 3.523 10 0 CHAERN Nc1nc(-c2ccccc2)nc2ccc(Cl)cc12 ZINC000034753416 171864919 /nfs/dbraw/zinc/86/49/19/171864919.db2.gz QDYCLTOKZOTZCY-UHFFFAOYSA-N 0 0 255.708 3.532 10 0 CHAERN CCc1c(Cl)ncnc1N[C@H](C)c1cccs1 ZINC000034766948 171866117 /nfs/dbraw/zinc/86/61/17/171866117.db2.gz CYOWPKPVADHWDO-MRVPVSSYSA-N 0 0 267.785 3.927 10 0 CHAERN CC(=O)c1cc(F)ccc1SCc1ccco1 ZINC000034937860 171897074 /nfs/dbraw/zinc/89/70/74/171897074.db2.gz LGUAMVNZFFDWIY-UHFFFAOYSA-N 0 0 250.294 3.914 10 0 CHAERN CC(C)CS[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000034958012 171903653 /nfs/dbraw/zinc/90/36/53/171903653.db2.gz OHBSXXXFEXMFPP-SECBINFHSA-N 0 0 286.828 3.638 10 0 CHAERN O=C(Cc1cccs1)c1nc2ccccc2s1 ZINC000034978947 171911498 /nfs/dbraw/zinc/91/14/98/171911498.db2.gz LXMJOVPDKKFLJI-UHFFFAOYSA-N 0 0 259.355 3.783 10 0 CHAERN COc1ccc(C(=O)[C@@H](C)Oc2ccc(F)cc2F)cc1 ZINC000034980951 171913508 /nfs/dbraw/zinc/91/35/08/171913508.db2.gz WGVATAQOPKAVBY-SNVBAGLBSA-N 0 0 292.281 3.624 10 0 CHAERN C[C@H](Nc1ccc2ccccc2c1)C(=O)N1CCCCC1 ZINC000035132879 171998062 /nfs/dbraw/zinc/99/80/62/171998062.db2.gz GGVRXMDNRJLBEX-AWEZNQCLSA-N 0 0 282.387 3.653 10 0 CHAERN C[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000035134660 172001865 /nfs/dbraw/zinc/00/18/65/172001865.db2.gz BEQMLZZJOMIZNI-LALPHHSUSA-N 0 0 270.376 3.722 10 0 CHAERN COC(=O)[C@@H](C)CSc1cccc(C(F)(F)F)c1 ZINC000035138097 172005329 /nfs/dbraw/zinc/00/53/29/172005329.db2.gz NDBUFTCLTUQSQT-QMMMGPOBSA-N 0 0 278.295 3.607 10 0 CHAERN Clc1ccc(Cl)c(NC[C@H]2CCCCO2)c1 ZINC000035150719 172013635 /nfs/dbraw/zinc/01/36/35/172013635.db2.gz MQCVOPAQAZKILH-SNVBAGLBSA-N 0 0 260.164 3.974 10 0 CHAERN Clc1snnc1COc1cccc2ccccc21 ZINC000035163574 172024419 /nfs/dbraw/zinc/02/44/19/172024419.db2.gz HTUHUGJINNZELL-UHFFFAOYSA-N 0 0 276.748 3.924 10 0 CHAERN Fc1ccc(-c2nc(CNCc3ccncc3)cs2)cc1 ZINC000035163448 172024985 /nfs/dbraw/zinc/02/49/85/172024985.db2.gz HIJXPGGMLOBWKY-UHFFFAOYSA-N 0 0 299.374 3.634 10 0 CHAERN Cc1ccc(OCC(=O)c2cc(F)ccc2F)c(C)c1 ZINC000035181803 172035412 /nfs/dbraw/zinc/03/54/12/172035412.db2.gz POIIZTWGUFTQLZ-UHFFFAOYSA-N 0 0 276.282 3.843 10 0 CHAERN CC(C)(C)c1ccc(OCC(=O)c2ccco2)cc1 ZINC000035182093 172035662 /nfs/dbraw/zinc/03/56/62/172035662.db2.gz LCXFQLUUOBBVKT-UHFFFAOYSA-N 0 0 258.317 3.839 10 0 CHAERN CC[C@@H](C)S[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000035182627 172036115 /nfs/dbraw/zinc/03/61/15/172036115.db2.gz URJMJBOUXIPVIC-GHMZBOCLSA-N 0 0 252.379 3.798 10 0 CHAERN COc1ccc(C(=O)[C@H](C)SCC(C)C)cc1 ZINC000035183302 172036673 /nfs/dbraw/zinc/03/66/73/172036673.db2.gz OKCHVUICWUFBPN-NSHDSACASA-N 0 0 252.379 3.656 10 0 CHAERN Cc1cccc(OCC(=O)c2cc(C)ccc2C)c1 ZINC000035183701 172036812 /nfs/dbraw/zinc/03/68/12/172036812.db2.gz RYFNVKMYRXRFOV-UHFFFAOYSA-N 0 0 254.329 3.874 10 0 CHAERN C[C@@H](Oc1ccccc1F)C(=O)c1ccc(F)c(F)c1 ZINC000035183547 172036987 /nfs/dbraw/zinc/03/69/87/172036987.db2.gz FKJMIEKDQHNLMY-SECBINFHSA-N 0 0 280.245 3.754 10 0 CHAERN CCc1ccc(OCC(=O)c2ccc(F)cc2)cc1 ZINC000035182909 172037056 /nfs/dbraw/zinc/03/70/56/172037056.db2.gz IEIHUMHHUWKMIS-UHFFFAOYSA-N 0 0 258.292 3.650 10 0 CHAERN Cc1ccc(C)c(C(=O)[C@H](C)Oc2ccccc2)c1 ZINC000035183905 172037637 /nfs/dbraw/zinc/03/76/37/172037637.db2.gz JTRPYCHOCZXIFU-AWEZNQCLSA-N 0 0 254.329 3.954 10 0 CHAERN COc1cc(C)ccc1O[C@H](C)C(=O)c1ccc(F)cc1 ZINC000035184728 172038193 /nfs/dbraw/zinc/03/81/93/172038193.db2.gz SZPRXBNQQQPTNN-GFCCVEGCSA-N 0 0 288.318 3.793 10 0 CHAERN COc1ccc(O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 ZINC000035184177 172038248 /nfs/dbraw/zinc/03/82/48/172038248.db2.gz RVGUHHGEBFTNSA-ZDUSSCGKSA-N 0 0 270.328 3.654 10 0 CHAERN Cc1cc(C)cc(C(=O)Nc2cccc([C@H](C)O)c2)c1 ZINC000035188817 172043332 /nfs/dbraw/zinc/04/33/32/172043332.db2.gz DHGFIBRWICHAQI-ZDUSSCGKSA-N 0 0 269.344 3.609 10 0 CHAERN Cc1ccc(C)c(C(=O)Nc2cccc([C@@H](C)O)c2)c1 ZINC000035188814 172043454 /nfs/dbraw/zinc/04/34/54/172043454.db2.gz ZYYKHKKOBZXLCL-CYBMUJFWSA-N 0 0 269.344 3.609 10 0 CHAERN C[C@H]1CCCN(c2n[nH]c(=S)n2C2CCCCC2)C1 ZINC000035222052 172065503 /nfs/dbraw/zinc/06/55/03/172065503.db2.gz UWHAJKNBLNWNEY-NSHDSACASA-N 0 0 280.441 3.682 10 0 CHAERN Cc1ccccc1CNc1cc2c(cc1Cl)OCO2 ZINC000035229667 172069915 /nfs/dbraw/zinc/06/99/15/172069915.db2.gz AWSXJVXLEXMZBC-UHFFFAOYSA-N 0 0 275.735 3.989 10 0 CHAERN CC(C)CS[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000035229279 172070364 /nfs/dbraw/zinc/07/03/64/172070364.db2.gz YZUMLXPDBLGQSD-SECBINFHSA-N 0 0 258.333 3.925 10 0 CHAERN Clc1nsnc1Sc1nc2ccccc2s1 ZINC000035232137 172071969 /nfs/dbraw/zinc/07/19/69/172071969.db2.gz QVVFBIBPDCCNEU-UHFFFAOYSA-N 0 0 285.806 3.952 10 0 CHAERN Cc1cccc(Oc2ccc3ccccc3n2)c1N ZINC000035283737 172101994 /nfs/dbraw/zinc/10/19/94/172101994.db2.gz HKDHXVFDAXQDLZ-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN [NH3+][C@H](CCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000035324522 172126986 /nfs/dbraw/zinc/12/69/86/172126986.db2.gz XHMWOUNHWIENGG-LLVKDONJSA-N 0 0 276.163 3.638 10 0 CHAERN CC1CCC(Nc2ccc(N)c3cccnc23)CC1 ZINC000035341949 172134132 /nfs/dbraw/zinc/13/41/32/172134132.db2.gz XFESXOGBJAXMRS-UHFFFAOYSA-N 0 0 255.365 3.808 10 0 CHAERN Cc1ccc(Oc2ccc(N)c3cccnc23)cc1 ZINC000035342224 172134868 /nfs/dbraw/zinc/13/48/68/172134868.db2.gz ZZKFEHFFHYSJEN-UHFFFAOYSA-N 0 0 250.301 3.918 10 0 CHAERN Cc1nc2cc(OCCC(C)C)c(N)cc2s1 ZINC000035342863 172135312 /nfs/dbraw/zinc/13/53/12/172135312.db2.gz IAJCWVWWSYEJBG-UHFFFAOYSA-N 0 0 250.367 3.612 10 0 CHAERN Nc1c2ncsc2ccc1NCCc1ccccc1 ZINC000035344348 172136653 /nfs/dbraw/zinc/13/66/53/172136653.db2.gz IVHHPAFTMBAIIL-UHFFFAOYSA-N 0 0 269.373 3.533 10 0 CHAERN CN(Cc1ccccc1)c1ccc2scnc2c1N ZINC000035344205 172136680 /nfs/dbraw/zinc/13/66/80/172136680.db2.gz NXEYDKIFZMIIPC-UHFFFAOYSA-N 0 0 269.373 3.515 10 0 CHAERN COc1cccc(Nc2ccc3scnc3c2N)c1 ZINC000035344534 172136723 /nfs/dbraw/zinc/13/67/23/172136723.db2.gz YANYIFBLQDVZEX-UHFFFAOYSA-N 0 0 271.345 3.631 10 0 CHAERN COC(=O)c1cc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000035364677 172154278 /nfs/dbraw/zinc/15/42/78/172154278.db2.gz GFPPGDUJZRLKDT-UHFFFAOYSA-N 0 0 275.251 3.566 10 0 CHAERN Cc1cccn2cc(COc3cccc4cccnc43)nc12 ZINC000035482711 172222328 /nfs/dbraw/zinc/22/23/28/172222328.db2.gz XKBSWUQGKVWVMK-UHFFFAOYSA-N 0 0 289.338 3.770 10 0 CHAERN Cc1ccc(CNc2ncnc3oc4c(c32)CCCC4)o1 ZINC000035537996 172244168 /nfs/dbraw/zinc/24/41/68/172244168.db2.gz LUVFGKATOMEOAF-UHFFFAOYSA-N 0 0 283.331 3.615 10 0 CHAERN CCN[C@@H](c1ccsc1)c1c(F)cc(F)cc1F ZINC000035544513 172253124 /nfs/dbraw/zinc/25/31/24/172253124.db2.gz NOJMLJQFZLNLOX-ZDUSSCGKSA-N 0 0 271.307 3.864 10 0 CHAERN Nc1cc(Cl)nc(SCc2ccccc2Cl)n1 ZINC000035577847 172274410 /nfs/dbraw/zinc/27/44/10/172274410.db2.gz VFTKILCYQWHWPD-UHFFFAOYSA-N 0 0 286.187 3.658 10 0 CHAERN CCc1ccc(COc2ccc([C@H](C)O)cc2)s1 ZINC000035626296 172305512 /nfs/dbraw/zinc/30/55/12/172305512.db2.gz PLMJSKBJGQALMO-NSHDSACASA-N 0 0 262.374 3.943 10 0 CHAERN C[C@H](O)c1ccc(N(C)Cc2ccccc2)c(F)c1 ZINC000035631207 172312804 /nfs/dbraw/zinc/31/28/04/172312804.db2.gz VTXYHQUWXCSREF-LBPRGKRZSA-N 0 0 259.324 3.515 10 0 CHAERN C[C@@H](O)c1c(F)cccc1N1c2ccccc2C[C@@H]1C ZINC000035631248 172312900 /nfs/dbraw/zinc/31/29/00/172312900.db2.gz KGDIIIHJPWCQDD-NWDGAFQWSA-N 0 0 271.335 3.962 10 0 CHAERN C[C@@H](O)c1ccc(N2c3ccccc3C[C@@H]2C)c(F)c1 ZINC000035631260 172313533 /nfs/dbraw/zinc/31/35/33/172313533.db2.gz WJUOKTOQYANLBZ-NWDGAFQWSA-N 0 0 271.335 3.962 10 0 CHAERN C[C@@H](O)c1c(F)cccc1Oc1cccc(F)c1 ZINC000035632347 172314847 /nfs/dbraw/zinc/31/48/47/172314847.db2.gz WLCRRMBQEXDYAF-SECBINFHSA-N 0 0 250.244 3.810 10 0 CHAERN COCCc1ccc(Oc2ccc(F)cc2[C@@H](C)O)cc1 ZINC000035632565 172315838 /nfs/dbraw/zinc/31/58/38/172315838.db2.gz LDYYGTLMSNWUCR-GFCCVEGCSA-N 0 0 290.334 3.860 10 0 CHAERN C[C@H](O)c1ccccc1Oc1ccc(F)cc1F ZINC000035650623 172326761 /nfs/dbraw/zinc/32/67/61/172326761.db2.gz VBNLZRJYDSVTOY-VIFPVBQESA-N 0 0 250.244 3.810 10 0 CHAERN Cc1cc(COc2c(Cl)cc(Cl)cc2C=O)no1 ZINC000035662371 172340662 /nfs/dbraw/zinc/34/06/62/172340662.db2.gz FRFVDCBUMCWUCX-UHFFFAOYSA-N 0 0 286.114 3.681 10 0 CHAERN Nc1cc(CSc2cc(F)ccc2F)ccc1O ZINC000035676209 172346754 /nfs/dbraw/zinc/34/67/54/172346754.db2.gz YCIYVTMWOOYMBF-UHFFFAOYSA-N 0 0 267.300 3.545 10 0 CHAERN C[C@@H](Nc1ccnc2cc(Cl)ccc21)[C@H]1CCCO1 ZINC000035736206 172389098 /nfs/dbraw/zinc/38/90/98/172389098.db2.gz CMUMDHCDYVYCCW-MEBBXXQBSA-N 0 0 276.767 3.868 10 0 CHAERN C[C@H](Nc1nc2cccc(Cl)c2s1)[C@@H]1CCCO1 ZINC000035736355 172389475 /nfs/dbraw/zinc/38/94/75/172389475.db2.gz SNEFPPSMNZZITJ-KWQFWETISA-N 0 0 282.796 3.929 10 0 CHAERN C[C@H](Nc1ccc2cc(N)ccc2n1)c1ccco1 ZINC000035739165 172393269 /nfs/dbraw/zinc/39/32/69/172393269.db2.gz UCRQNDSEKWUFKU-JTQLQIEISA-N 0 0 253.305 3.583 10 0 CHAERN COC(=O)[C@H](C)CNc1ccc(Cl)cc1C(F)(F)F ZINC000035757816 172397451 /nfs/dbraw/zinc/39/74/51/172397451.db2.gz WPZDZNACDLDGJN-SSDOTTSWSA-N 0 0 295.688 3.580 10 0 CHAERN CC1(C)COCCN1C(=O)c1cccc(-c2ccccc2)c1 ZINC000036102080 172441155 /nfs/dbraw/zinc/44/11/55/172441155.db2.gz VJCGNDZNPCRQQJ-UHFFFAOYSA-N 0 0 295.382 3.605 10 0 CHAERN CCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1C ZINC000036113735 172444422 /nfs/dbraw/zinc/44/44/22/172444422.db2.gz LPDXSBYCFPVIMK-IBGZPJMESA-N 0 0 279.383 3.879 10 0 CHAERN CCc1cccc2sc(NC(=O)C3CCCC3)nc21 ZINC000036633154 172643212 /nfs/dbraw/zinc/64/32/12/172643212.db2.gz PEIROWVXPBSFBU-UHFFFAOYSA-N 0 0 274.389 3.987 10 0 CHAERN CCOC(=O)c1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000036891247 172784573 /nfs/dbraw/zinc/78/45/73/172784573.db2.gz BBQAQDPNBZNMNP-CYBMUJFWSA-N 0 0 259.349 3.632 10 0 CHAERN CC(C)(C)c1noc(N)c1-c1ccc(Cl)cc1 ZINC000036936780 172816055 /nfs/dbraw/zinc/81/60/55/172816055.db2.gz ZXVOWOKSTXUSIX-UHFFFAOYSA-N 0 0 250.729 3.875 10 0 CHAERN CC[C@@H](C)[C@H](C)Nc1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000037032773 172901263 /nfs/dbraw/zinc/90/12/63/172901263.db2.gz LBRAXLRRPVAMRC-MNOVXSKESA-N 0 0 282.815 3.888 10 0 CHAERN Nc1ccc(OCc2ccc(Cl)cc2)c(F)c1 ZINC000037064915 172928184 /nfs/dbraw/zinc/92/81/84/172928184.db2.gz JHNQLXADHOCHQC-UHFFFAOYSA-N 0 0 251.688 3.640 10 0 CHAERN CCCOc1nc(Nc2ccccc2Cl)ccc1N ZINC000037067592 172930661 /nfs/dbraw/zinc/93/06/61/172930661.db2.gz ZQSXLCFWFTYRAB-UHFFFAOYSA-N 0 0 277.755 3.850 10 0 CHAERN CC(C)C[C@@H](C)Oc1ccc(N)c(OC(C)(C)C)n1 ZINC000037069214 172931245 /nfs/dbraw/zinc/93/12/45/172931245.db2.gz JUUQHQJARREKEQ-LLVKDONJSA-N 0 0 266.385 3.655 10 0 CHAERN COc1ncccc1N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000037070466 172932146 /nfs/dbraw/zinc/93/21/46/172932146.db2.gz VTOKKXQGNFIHEX-GZBFAFLISA-N 0 0 262.397 3.963 10 0 CHAERN Nc1ccc(SCc2ccccc2F)c(F)c1 ZINC000037194573 173023808 /nfs/dbraw/zinc/02/38/08/173023808.db2.gz SAODJZUUUCAERO-UHFFFAOYSA-N 0 0 251.301 3.839 10 0 CHAERN Clc1cccc2nc(NCc3ccccn3)sc21 ZINC000037206715 173027867 /nfs/dbraw/zinc/02/78/67/173027867.db2.gz RJPPJYCWGYDYFF-UHFFFAOYSA-N 0 0 275.764 3.957 10 0 CHAERN FC(F)Oc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000037217461 173036143 /nfs/dbraw/zinc/03/61/43/173036143.db2.gz XOGVSPHGJFQGIZ-TVYUQYBPSA-N 0 0 251.276 3.665 10 0 CHAERN Fc1cccc(F)c1N[C@@H]1CCc2ccccc2C1 ZINC000037247248 173060077 /nfs/dbraw/zinc/06/00/77/173060077.db2.gz DSFHJNZRYCHNNU-CYBMUJFWSA-N 0 0 259.299 3.934 10 0 CHAERN CC[C@@H](Nc1ccccc1-c1nc(C)no1)C(C)C ZINC000037275218 173087277 /nfs/dbraw/zinc/08/72/77/173087277.db2.gz CDRPNIAJNIFMKI-CYBMUJFWSA-N 0 0 259.353 3.892 10 0 CHAERN CCCOc1ccccc1N[C@H]1CCCC[C@@H]1OC ZINC000037278238 173088300 /nfs/dbraw/zinc/08/83/00/173088300.db2.gz USDQUDYCGYTYOQ-ZFWWWQNUSA-N 0 0 263.381 3.845 10 0 CHAERN Nc1ccc2[nH]c(CSc3ccc(F)cc3)nc2c1 ZINC000037285632 173091887 /nfs/dbraw/zinc/09/18/87/173091887.db2.gz DRNRVIAERHNIQO-UHFFFAOYSA-N 0 0 273.336 3.577 10 0 CHAERN CO[C@H]1CCCC[C@@H]1Nc1cccc(OC(F)F)c1 ZINC000037293320 173097945 /nfs/dbraw/zinc/09/79/45/173097945.db2.gz IIPVWOMUEDYAKK-STQMWFEESA-N 0 0 271.307 3.658 10 0 CHAERN Cc1ccc(-n2nc(C(C)C)c(CO)c2Cl)c(C)c1 ZINC000037295477 173099580 /nfs/dbraw/zinc/09/95/80/173099580.db2.gz TVIIQKOFWTXRCV-UHFFFAOYSA-N 0 0 278.783 3.758 10 0 CHAERN O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccco1 ZINC000037311166 173113400 /nfs/dbraw/zinc/11/34/00/173113400.db2.gz XDLFHUSMIFIIBB-UHFFFAOYSA-N 0 0 272.691 3.598 10 0 CHAERN COc1ccc(NCc2ccc(C)c(C)c2)cc1O ZINC000037317368 173118092 /nfs/dbraw/zinc/11/80/92/173118092.db2.gz OIEOJTWFAWJEEK-UHFFFAOYSA-N 0 0 257.333 3.630 10 0 CHAERN CCCCC1CCC(C(=O)Nc2ccc(N)cn2)CC1 ZINC000037325367 173125610 /nfs/dbraw/zinc/12/56/10/173125610.db2.gz QLWQYJKESXBLPL-UHFFFAOYSA-N 0 0 275.396 3.599 10 0 CHAERN Oc1ccc(CC[C@H]2CCc3ccccc3N2)cc1 ZINC000037328202 173128342 /nfs/dbraw/zinc/12/83/42/173128342.db2.gz PCUHIVYITCMSMQ-HNNXBMFYSA-N 0 0 253.345 3.752 10 0 CHAERN CC[C@H](C(=O)c1ccccc1)n1ccnc1C(C)C ZINC000037340463 173142200 /nfs/dbraw/zinc/14/22/00/173142200.db2.gz BQQRBNMAIMXXTK-CQSZACIVSA-N 0 0 256.349 3.841 10 0 CHAERN COc1ccccc1-c1c(N)onc1CCC(C)C ZINC000037350661 173144761 /nfs/dbraw/zinc/14/47/61/173144761.db2.gz XJZSHGKNFKBTHM-UHFFFAOYSA-N 0 0 260.337 3.521 10 0 CHAERN CCOc1ccc(C(=O)c2cc(C)cc(C)c2)cc1 ZINC000037358345 173148376 /nfs/dbraw/zinc/14/83/76/173148376.db2.gz VEGYCRJLRQPPEB-UHFFFAOYSA-N 0 0 254.329 3.933 10 0 CHAERN C[C@H]1CCCC[C@H]1Nc1ccc2ncccc2c1N ZINC000037377590 173165905 /nfs/dbraw/zinc/16/59/05/173165905.db2.gz WKFIYRLQTHBOQD-WCQYABFASA-N 0 0 255.365 3.808 10 0 CHAERN CC(C)N(Cc1ccccc1)c1cccc(F)c1N ZINC000037419097 173196236 /nfs/dbraw/zinc/19/62/36/173196236.db2.gz GORHTYZBILSRIC-UHFFFAOYSA-N 0 0 258.340 3.823 10 0 CHAERN Cc1ccc2c(c1)nc(-c1ccc(C)c(O)c1)n2C ZINC000037438817 173209819 /nfs/dbraw/zinc/20/98/19/173209819.db2.gz HPVPOHLMPMHDEL-UHFFFAOYSA-N 0 0 252.317 3.563 10 0 CHAERN FC(F)(F)c1ccc(NCCc2ccncc2)cc1 ZINC000037491818 173233112 /nfs/dbraw/zinc/23/31/12/173233112.db2.gz VWQJVCQIWCSHKN-UHFFFAOYSA-N 0 0 266.266 3.755 10 0 CHAERN CCCN[C@H](C(=O)OCC)c1cc(Cl)cc(Cl)c1 ZINC000037513632 173244990 /nfs/dbraw/zinc/24/49/90/173244990.db2.gz DNWILRMPTHUUDS-LBPRGKRZSA-N 0 0 290.190 3.597 10 0 CHAERN CCNC(=O)c1cc2sccc2n1Cc1cccc(C)c1 ZINC000037525822 173250771 /nfs/dbraw/zinc/25/07/71/173250771.db2.gz DGMASQVLOXSJFM-UHFFFAOYSA-N 0 0 298.411 3.809 10 0 CHAERN COc1ccc([C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000037532018 173253534 /nfs/dbraw/zinc/25/35/34/173253534.db2.gz BVNMXSDVMIINHI-OAHLLOKOSA-N 0 0 262.736 3.625 10 0 CHAERN O[C@@H](Cc1ccc(F)cc1)Cc1ccccc1Cl ZINC000037532735 173253990 /nfs/dbraw/zinc/25/39/90/173253990.db2.gz AAGCSMOGFMUEJC-AWEZNQCLSA-N 0 0 264.727 3.625 10 0 CHAERN Cc1ccccc1C[C@@H](O)Cc1ccc(Cl)cc1 ZINC000037532658 173253993 /nfs/dbraw/zinc/25/39/93/173253993.db2.gz PGOYATNUQBVKFC-INIZCTEOSA-N 0 0 260.764 3.795 10 0 CHAERN CCc1cccc(C)c1NCc1ccc2c(c1)OCO2 ZINC000037763819 173690773 /nfs/dbraw/zinc/69/07/73/173690773.db2.gz LXLFQBRKAMFHAR-UHFFFAOYSA-N 0 0 269.344 3.898 10 0 CHAERN Clc1ccccc1CNc1ccc2nccnc2c1 ZINC000037773109 173705444 /nfs/dbraw/zinc/70/54/44/173705444.db2.gz IYBLSJMBWVVBEM-UHFFFAOYSA-N 0 0 269.735 3.895 10 0 CHAERN CCn1cc(NCc2cccc(Cl)c2Cl)ccc1=O ZINC000037773898 173706378 /nfs/dbraw/zinc/70/63/78/173706378.db2.gz AXZUODHZYFVPSP-UHFFFAOYSA-N 0 0 297.185 3.787 10 0 CHAERN CCCn1cc(NCc2cccc(Cl)c2)ccc1=O ZINC000037774562 173707011 /nfs/dbraw/zinc/70/70/11/173707011.db2.gz NRTUTLYTVYOMMU-UHFFFAOYSA-N 0 0 276.767 3.524 10 0 CHAERN CCNC(=O)c1ccc(N[C@H](CC)C(C)C)c(C)c1 ZINC000037779946 173710428 /nfs/dbraw/zinc/71/04/28/173710428.db2.gz OLZJZWHGOKEUQP-CQSZACIVSA-N 0 0 262.397 3.591 10 0 CHAERN COC(=O)[C@@H](Nc1ccc(C)cc1)C1CCCCC1 ZINC000037953426 173895242 /nfs/dbraw/zinc/89/52/42/173895242.db2.gz OUGHDOMBDKPLFO-HNNXBMFYSA-N 0 0 261.365 3.529 10 0 CHAERN COC(=O)[C@]1(Nc2ccc(C)cc2)CCC[C@@H](C)C1 ZINC000037953346 173895527 /nfs/dbraw/zinc/89/55/27/173895527.db2.gz NEMPCRRHXHXQBW-CJNGLKHVSA-N 0 0 261.365 3.529 10 0 CHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000037980037 173938619 /nfs/dbraw/zinc/93/86/19/173938619.db2.gz IPYZYTDALDOQCI-PWSUYJOCSA-N 0 0 289.272 3.677 10 0 CHAERN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(F)cc1 ZINC000037980218 173939539 /nfs/dbraw/zinc/93/95/39/173939539.db2.gz NDZLJABXOAAMQY-SECBINFHSA-N 0 0 289.272 3.629 10 0 CHAERN Nc1cc(F)c(NCc2ccccc2Cl)c(F)c1 ZINC000038039891 174039970 /nfs/dbraw/zinc/03/99/70/174039970.db2.gz YWDBHILBODMISR-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Nc1cc(F)c(Oc2cccc(Cl)c2)c(F)c1 ZINC000038040277 174040285 /nfs/dbraw/zinc/04/02/85/174040285.db2.gz FCFVBRVICCJQHC-UHFFFAOYSA-N 0 0 255.651 3.993 10 0 CHAERN Nc1cc(F)c(Sc2cc(F)ccc2F)c(F)c1 ZINC000038040443 174040332 /nfs/dbraw/zinc/04/03/32/174040332.db2.gz XPWXWIRDDDLYMJ-UHFFFAOYSA-N 0 0 273.254 3.976 10 0 CHAERN Cc1cccc2oc([C@H]3Cc4ccccc4CN3)nc21 ZINC000038052796 174063930 /nfs/dbraw/zinc/06/39/30/174063930.db2.gz ZSNOUTFNWAQZFX-CQSZACIVSA-N 0 0 264.328 3.523 10 0 CHAERN Nc1ccccc1Oc1c(F)c(F)c(F)c(F)c1F ZINC000038056598 174067464 /nfs/dbraw/zinc/06/74/64/174067464.db2.gz ZMOWFTMIZZEPTK-UHFFFAOYSA-N 0 0 275.176 3.757 10 0 CHAERN Cc1ccc([C@H](C)N(C)C(=O)c2ccnc(Cl)c2)s1 ZINC000038057424 174068356 /nfs/dbraw/zinc/06/83/56/174068356.db2.gz BLFUPQLUPDSDFZ-JTQLQIEISA-N 0 0 294.807 3.938 10 0 CHAERN CC[C@@H](C)N[C@@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000038066822 174078199 /nfs/dbraw/zinc/07/81/99/174078199.db2.gz FDHVXTUHOQCVHV-PRHODGIISA-N 0 0 290.190 3.596 10 0 CHAERN CCCCCC[C@](C)(N[C@@H](C)CC)C(=O)OCC ZINC000038067936 174080021 /nfs/dbraw/zinc/08/00/21/174080021.db2.gz FOUWBTDIIWOUGG-ZFWWWQNUSA-N 0 0 257.418 3.667 10 0 CHAERN COc1ccc(-c2cc(F)ccc2N)cc1Cl ZINC000038069423 174081176 /nfs/dbraw/zinc/08/11/76/174081176.db2.gz BSTBEZLVMZCDEN-UHFFFAOYSA-N 0 0 251.688 3.737 10 0 CHAERN CCC(=O)c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038071827 174082885 /nfs/dbraw/zinc/08/28/85/174082885.db2.gz FWKDPWXIOBPBCV-UHFFFAOYSA-N 0 0 252.313 3.881 10 0 CHAERN CC(=O)c1cccc(-c2cnn(-c3ccccc3)c2)c1 ZINC000038071871 174083010 /nfs/dbraw/zinc/08/30/10/174083010.db2.gz AHGZAMURBQYRRQ-UHFFFAOYSA-N 0 0 262.312 3.742 10 0 CHAERN Nc1cc(NC(=O)Nc2cccc(F)c2)ccc1Cl ZINC000038076193 174087146 /nfs/dbraw/zinc/08/71/46/174087146.db2.gz ZZSCKOKVCGDJOO-UHFFFAOYSA-N 0 0 279.702 3.705 10 0 CHAERN Cc1cc(C)cc(C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000038077067 174087559 /nfs/dbraw/zinc/08/75/59/174087559.db2.gz PBORSEJTBDZQLF-QGZVFWFLSA-N 0 0 258.336 3.893 10 0 CHAERN Cc1cc(C)cc(C[C@@]2(O)CCc3ccccc32)c1 ZINC000038077054 174087737 /nfs/dbraw/zinc/08/77/37/174087737.db2.gz IRFSTEQEKDRLTH-SFHVURJKSA-N 0 0 252.357 3.680 10 0 CHAERN CCCS(=O)(=O)c1ccccc1NCCCC(C)C ZINC000038094015 174107606 /nfs/dbraw/zinc/10/76/06/174107606.db2.gz FBHOZBQDTXQVGS-UHFFFAOYSA-N 0 0 283.437 3.718 10 0 CHAERN COc1ccc(CCCC(=O)c2ccccc2)cc1 ZINC000038241164 174137360 /nfs/dbraw/zinc/13/73/60/174137360.db2.gz FRMLTANWTWPLDV-UHFFFAOYSA-N 0 0 254.329 3.901 10 0 CHAERN N=C(NC(=O)Nc1ccccc1)c1cc2ccccc2o1 ZINC000038816819 174156314 /nfs/dbraw/zinc/15/63/14/174156314.db2.gz IDGUMIHOYWOYIZ-UHFFFAOYSA-N 0 0 279.299 3.580 10 0 CHAERN Cc1[nH]c2ccc3[nH]c(-c4ccccc4)nc3c2c(=O)c1C ZINC000039221698 174166180 /nfs/dbraw/zinc/16/61/80/174166180.db2.gz XIXMTVZCYBJZFD-UHFFFAOYSA-N 0 0 289.338 3.688 10 0 CHAERN Cc1cc(OC23CC4CC(CC(C4)C2)C3)ccc1N ZINC000039239920 174166724 /nfs/dbraw/zinc/16/67/24/174166724.db2.gz XKKBKDPLQBCKNQ-UHFFFAOYSA-N 0 0 257.377 3.925 10 0 CHAERN CCOC(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000039951909 174176260 /nfs/dbraw/zinc/17/62/60/174176260.db2.gz RAFYNCLWNDNDKY-UHFFFAOYSA-N 0 0 285.181 3.923 10 0 CHAERN O[C@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000040245083 174214576 /nfs/dbraw/zinc/21/45/76/174214576.db2.gz MSEDATJNGMDTMF-DLBZAZTESA-N 0 0 254.329 3.566 10 0 CHAERN CCOc1ccc(Br)cc1[C@H](O)C(C)C ZINC000040262077 174217067 /nfs/dbraw/zinc/21/70/67/174217067.db2.gz JEYWJUZSFDYZFV-GFCCVEGCSA-N 0 0 273.170 3.537 10 0 CHAERN O[C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000040260634 174217232 /nfs/dbraw/zinc/21/72/32/174217232.db2.gz LGFULGWYKNTXSO-QMMMGPOBSA-N 0 0 259.054 3.979 10 0 CHAERN Cc1ccc(C(=O)[C@H](C)Oc2ccc(C)cc2N)cc1 ZINC000040354273 174245673 /nfs/dbraw/zinc/24/56/73/174245673.db2.gz HBYGEVMRRVIXJY-ZDUSSCGKSA-N 0 0 269.344 3.536 10 0 CHAERN Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 ZINC000040448822 174265555 /nfs/dbraw/zinc/26/55/55/174265555.db2.gz UVYFSLAJRJHGJB-UHFFFAOYSA-N 0 0 272.691 3.781 10 0 CHAERN Cc1nc(C)c([C@@H](C)Nc2nc3ccccc3[nH]2)s1 ZINC000040518940 174308552 /nfs/dbraw/zinc/30/85/52/174308552.db2.gz NHLQWPCLQBNFJZ-SECBINFHSA-N 0 0 272.377 3.809 10 0 CHAERN Nc1c(Cl)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040571701 174338384 /nfs/dbraw/zinc/33/83/84/174338384.db2.gz RLGHOPYCDDEZCV-UHFFFAOYSA-N 0 0 289.553 3.763 10 0 CHAERN Cc1ccc(Nc2ncnc(OC(C)C)c2N)cc1Cl ZINC000040703809 174378980 /nfs/dbraw/zinc/37/89/80/174378980.db2.gz LKSDVSMVGQPFAZ-UHFFFAOYSA-N 0 0 292.770 3.551 10 0 CHAERN CCCCNc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040706575 174379690 /nfs/dbraw/zinc/37/96/90/174379690.db2.gz TWAAUKKWHXGYGE-UHFFFAOYSA-N 0 0 291.786 3.668 10 0 CHAERN COc1ccccc1-c1cn2c(C)c(C)sc2n1 ZINC000041005794 174448762 /nfs/dbraw/zinc/44/87/62/174448762.db2.gz JVPJWFKRFZBZIF-UHFFFAOYSA-N 0 0 258.346 3.688 10 0 CHAERN COc1ccccc1COc1ccc(C)cc1C(C)=O ZINC000041391548 174545389 /nfs/dbraw/zinc/54/53/89/174545389.db2.gz YYSXABZHULTYAV-UHFFFAOYSA-N 0 0 270.328 3.785 10 0 CHAERN Nc1onc(-c2ccc(F)cc2)c1-c1ccccc1F ZINC000041406074 174547444 /nfs/dbraw/zinc/54/74/44/174547444.db2.gz CPIZPCZOBKXDOM-UHFFFAOYSA-N 0 0 272.254 3.869 10 0 CHAERN OC[C@@H](Cc1cccs1)c1cccc(Br)c1 ZINC000041496529 174561789 /nfs/dbraw/zinc/56/17/89/174561789.db2.gz GWWIMWRHVAMASR-LLVKDONJSA-N 0 0 297.217 3.829 10 0 CHAERN CC(C)(C)c1nc2cc(Br)ccc2o1 ZINC000041569103 174567909 /nfs/dbraw/zinc/56/79/09/174567909.db2.gz PICCCIJRVJSNGX-UHFFFAOYSA-N 0 0 254.127 3.888 10 0 CHAERN Cc1cc(Cl)c2ncc(Br)c(N)c2c1 ZINC000041702434 174608832 /nfs/dbraw/zinc/60/88/32/174608832.db2.gz SIDFNBNBYAWASR-UHFFFAOYSA-N 0 0 271.545 3.541 10 0 CHAERN CC[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000042238927 174662526 /nfs/dbraw/zinc/66/25/26/174662526.db2.gz XEVKSUVMQYTYFI-UWVGGRQHSA-N 0 0 284.197 3.672 10 0 CHAERN CC[C@@H](C)c1ccc(NC2CCS(=O)CC2)cc1 ZINC000042336582 174689302 /nfs/dbraw/zinc/68/93/02/174689302.db2.gz ZZMHFMHHJVKGRM-QCGKTTIDSA-N 0 0 265.422 3.523 10 0 CHAERN CCCCCN(c1nc2sccn2c1C=O)C(C)C ZINC000042557749 174793962 /nfs/dbraw/zinc/79/39/62/174793962.db2.gz MWNSHPOUPMUBRK-UHFFFAOYSA-N 0 0 279.409 3.613 10 0 CHAERN FC(F)(F)C(F)(F)OCc1ccc(Br)o1 ZINC000043463473 175052039 /nfs/dbraw/zinc/05/20/39/175052039.db2.gz OERITVXESAVWGD-UHFFFAOYSA-N 0 0 295.001 3.714 10 0 CHAERN Oc1ccc(CNc2cccc(F)c2)cc1Cl ZINC000043476838 175054945 /nfs/dbraw/zinc/05/49/45/175054945.db2.gz YJENXFMRUPMKDS-UHFFFAOYSA-N 0 0 251.688 3.797 10 0 CHAERN Oc1ccc(CNc2ccc3cn[nH]c3c2)cc1Cl ZINC000043479788 175056050 /nfs/dbraw/zinc/05/60/50/175056050.db2.gz PUIAJRRWODQIFH-UHFFFAOYSA-N 0 0 273.723 3.534 10 0 CHAERN O[C@@H]1CCCC[C@@H]1CCOc1cccc(Br)c1 ZINC000043658470 175085725 /nfs/dbraw/zinc/08/57/25/175085725.db2.gz BMLIQHBCFAMJGD-BXUZGUMPSA-N 0 0 299.208 3.769 10 0 CHAERN Cc1nn([C@@H]2CCCCc3ccccc32)c(N)c1Cl ZINC000043667535 175086631 /nfs/dbraw/zinc/08/66/31/175086631.db2.gz UTBDABYFQZJOQN-CYBMUJFWSA-N 0 0 275.783 3.743 10 0 CHAERN CC(C)(C)[C@H](O)CCc1ccc(Br)s1 ZINC000049852204 175501563 /nfs/dbraw/zinc/50/15/63/175501563.db2.gz QVDFGKVNODQAME-SECBINFHSA-N 0 0 277.227 3.850 10 0 CHAERN NC(=S)c1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071167792 176049338 /nfs/dbraw/zinc/04/93/38/176049338.db2.gz NSIQFZRNAITMQS-UHFFFAOYSA-N 0 0 283.274 3.530 10 0 CHAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)o1 ZINC000071214720 176086023 /nfs/dbraw/zinc/08/60/23/176086023.db2.gz RWBFFNRXGNQADK-UHFFFAOYSA-N 0 0 276.723 3.543 10 0 CHAERN Cc1cccnc1Cn1c2cccc(F)c2[nH]c1=S ZINC000071344576 176131086 /nfs/dbraw/zinc/13/10/86/176131086.db2.gz OQWPLKGQTWQFLB-UHFFFAOYSA-N 0 0 273.336 3.590 10 0 CHAERN Brc1ccc(C2=CCCOCC2)cc1 ZINC000071491519 176190549 /nfs/dbraw/zinc/19/05/49/176190549.db2.gz IHCLCPHFDZAXDA-UHFFFAOYSA-N 0 0 253.139 3.643 10 0 CHAERN Cc1nc(-c2cccc(Br)c2)oc1C ZINC000071494501 176191745 /nfs/dbraw/zinc/19/17/45/176191745.db2.gz RYTDSVZFTBOFOW-UHFFFAOYSA-N 0 0 252.111 3.721 10 0 CHAERN CCOc1ccccc1-c1nc2ccc(N)cc2s1 ZINC000071608977 176231068 /nfs/dbraw/zinc/23/10/68/176231068.db2.gz XKPSXEOKQZZWOH-UHFFFAOYSA-N 0 0 270.357 3.944 10 0 CHAERN CC(=O)c1nc(-c2cc(Br)cs2)cs1 ZINC000071644290 176239432 /nfs/dbraw/zinc/23/94/32/176239432.db2.gz XWNATZBBZGOFLH-UHFFFAOYSA-N 0 0 288.191 3.837 10 0 CHAERN Nc1cc(C(F)(F)F)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000071651005 176241135 /nfs/dbraw/zinc/24/11/35/176241135.db2.gz WDYVSUPXAJBVEM-UHFFFAOYSA-N 0 0 296.079 3.780 10 0 CHAERN CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C)C(C)C ZINC000072093483 176314682 /nfs/dbraw/zinc/31/46/82/176314682.db2.gz ZXHPIPDUDDLVLW-LLVKDONJSA-N 0 0 282.359 3.779 10 0 CHAERN N[C@H](c1ccccc1-c1ccccc1)C(F)(F)F ZINC000072190831 176336224 /nfs/dbraw/zinc/33/62/24/176336224.db2.gz XXAHYSPSXGDWCC-CYBMUJFWSA-N 0 0 251.251 3.916 10 0 CHAERN COc1ccccc1-c1ccoc1Br ZINC000072191917 176336278 /nfs/dbraw/zinc/33/62/78/176336278.db2.gz UMNDLZKXNCFWHZ-UHFFFAOYSA-N 0 0 253.095 3.718 10 0 CHAERN Fc1ccccc1-c1ncsc1Br ZINC000072192148 176336585 /nfs/dbraw/zinc/33/65/85/176336585.db2.gz QMYRDUMEHDIGIM-UHFFFAOYSA-N 0 0 258.115 3.712 10 0 CHAERN COc1ccccc1-c1cncc(Br)c1 ZINC000072192745 176336768 /nfs/dbraw/zinc/33/67/68/176336768.db2.gz GPDFLPITJDKEHJ-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN CSc1nc(Cl)cc(-c2ccc(Cl)cn2)n1 ZINC000072204298 176341871 /nfs/dbraw/zinc/34/18/71/176341871.db2.gz YGSIQPGBVCEFBC-UHFFFAOYSA-N 0 0 272.160 3.567 10 0 CHAERN Nc1cccc(Oc2ccc(C(F)(F)F)cc2N)c1 ZINC000072237471 176346169 /nfs/dbraw/zinc/34/61/69/176346169.db2.gz BGZHVELIYMFNRW-UHFFFAOYSA-N 0 0 268.238 3.662 10 0 CHAERN CCc1nn2c(ncc3c2CCCC3)c1-c1ccccc1 ZINC000072451574 176404694 /nfs/dbraw/zinc/40/46/94/176404694.db2.gz DPASUEQOWGYYLK-UHFFFAOYSA-N 0 0 277.371 3.838 10 0 CHAERN CC(C)(C)[C@@H](O)CNc1cc2ccccc2c(Cl)n1 ZINC000078669952 177369004 /nfs/dbraw/zinc/36/90/04/177369004.db2.gz YLJNVAUXUIUTTF-LBPRGKRZSA-N 0 0 278.783 3.707 10 0 CHAERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000334779532 225317811 /nfs/dbraw/zinc/31/78/11/225317811.db2.gz CAIITBJUDVATEV-MFKMUULPSA-N 0 0 264.756 3.665 10 0 CHAERN CC(C)n1nnnc1CS[C@@H](C)c1ccccc1Cl ZINC000171678254 335074019 /nfs/dbraw/zinc/07/40/19/335074019.db2.gz YWWNBWWESDDRJY-JTQLQIEISA-N 0 0 296.827 3.902 10 0 CHAERN CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000171748714 335077354 /nfs/dbraw/zinc/07/73/54/335077354.db2.gz DUPLAHNHYPBKPK-QWHCGFSZSA-N 0 0 293.357 3.907 10 0 CHAERN O=C(c1c[nH]c2cc(F)ccc21)N1CCC[C@@H]1c1ccco1 ZINC000192943197 227397246 /nfs/dbraw/zinc/39/72/46/227397246.db2.gz OSGWCLDWDYJVJW-OAHLLOKOSA-N 0 0 298.317 3.877 10 0 CHAERN C[C@@H]1CC[C@@H](C)N(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000301447789 227540605 /nfs/dbraw/zinc/54/06/05/227540605.db2.gz OUEYVKDFAIZONU-CHWSQXEVSA-N 0 0 285.366 3.908 10 0 CHAERN CSc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1 ZINC000037323030 260087805 /nfs/dbraw/zinc/08/78/05/260087805.db2.gz HHHYBYNRNLAEMB-UHFFFAOYSA-N 0 0 284.384 3.629 10 0 CHAERN CCc1ocnc1-c1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000329710547 227909198 /nfs/dbraw/zinc/90/91/98/227909198.db2.gz MIBYYNVNOOGINN-URLYPYJESA-N 0 0 275.352 3.827 10 0 CHAERN C[C@H]1CC(c2noc(C3CCC(=O)CC3)n2)C[C@H](C)C1 ZINC000336092947 228186567 /nfs/dbraw/zinc/18/65/67/228186567.db2.gz VKZSCAOWEBZOGN-GHMZBOCLSA-N 0 0 276.380 3.836 10 0 CHAERN Cc1cc(-c2nc(C(C)(C)C3CCC3)no2)ns1 ZINC000333238083 228194475 /nfs/dbraw/zinc/19/44/75/228194475.db2.gz PNDMJBSQZLNXBK-UHFFFAOYSA-N 0 0 263.366 3.579 10 0 CHAERN Cc1nc(-c2nc(C(C)(C)C3CCC3)no2)c(C)s1 ZINC000333270076 228195476 /nfs/dbraw/zinc/19/54/76/228195476.db2.gz VWGGIZWNKZWXFR-UHFFFAOYSA-N 0 0 277.393 3.888 10 0 CHAERN O=C(Nc1ncccc1Cl)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000179974552 260085010 /nfs/dbraw/zinc/08/50/10/260085010.db2.gz PNHZVSOSLFYTIP-VXGBXAGGSA-N 0 0 278.783 3.890 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)o1 ZINC000180414951 260101415 /nfs/dbraw/zinc/10/14/15/260101415.db2.gz SUNUCDIXRYCPKN-UKRRQHHQSA-N 0 0 285.387 3.952 10 0 CHAERN C[C@H]1C[C@H]1c1ccc(CN[C@@H]2COc3ccccc32)o1 ZINC000070070222 260151367 /nfs/dbraw/zinc/15/13/67/260151367.db2.gz YNCOSWVPXLTNBB-NILFDRSVSA-N 0 0 269.344 3.626 10 0 CHAERN Clc1sccc1CN[C@@H]1COc2ccccc21 ZINC000312580180 260157769 /nfs/dbraw/zinc/15/77/69/260157769.db2.gz KDRQVAMEKPCERS-LLVKDONJSA-N 0 0 265.765 3.625 10 0 CHAERN Brc1cncc(N2CC[C@H]3CCCC[C@@H]32)c1 ZINC000080972620 260181998 /nfs/dbraw/zinc/18/19/98/260181998.db2.gz NLOKADUVXFEROM-MFKMUULPSA-N 0 0 281.197 3.613 10 0 CHAERN CC(C)c1nsc(N[C@H]2CCOc3ccccc32)n1 ZINC000087641659 260215926 /nfs/dbraw/zinc/21/59/26/260215926.db2.gz BLBZTHDQMJOLPV-NSHDSACASA-N 0 0 275.377 3.597 10 0 CHAERN CCCn1ccc(CNc2cc(OC)cc(OC)c2)c1 ZINC000091009139 260264841 /nfs/dbraw/zinc/26/48/41/260264841.db2.gz GZLQEFTUXVDFSY-UHFFFAOYSA-N 0 0 274.364 3.527 10 0 CHAERN CCn1cccc1CNc1ccc2c(c1)OC(C)(C)O2 ZINC000091023558 260265161 /nfs/dbraw/zinc/26/51/61/260265161.db2.gz CANVJKMMOXJBBS-UHFFFAOYSA-N 0 0 272.348 3.627 10 0 CHAERN CCn1cccc1CN[C@H](C)c1c(F)cccc1F ZINC000091025514 260265213 /nfs/dbraw/zinc/26/52/13/260265213.db2.gz VDUQLWMOLUAQNE-LLVKDONJSA-N 0 0 264.319 3.637 10 0 CHAERN FC(F)(F)c1ccc(-c2cncc(Cl)n2)cc1 ZINC000071619148 260273393 /nfs/dbraw/zinc/27/33/93/260273393.db2.gz SJLPRKVKCMCIKV-UHFFFAOYSA-N 0 0 258.630 3.816 10 0 CHAERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cs1 ZINC000408153719 260297196 /nfs/dbraw/zinc/29/71/96/260297196.db2.gz LIRKGXSFULBTTK-MPPDQPJWSA-N 0 0 295.452 3.636 10 0 CHAERN Cc1ccc(Cl)cc1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085628222 260376965 /nfs/dbraw/zinc/37/69/65/260376965.db2.gz PKKHOOVRAJDZEF-BNOWGMLFSA-N 0 0 265.784 3.874 10 0 CHAERN Cc1cc2c(N[C@@H](C)c3ccc(Cl)cc3)nccn2n1 ZINC000129307177 260385493 /nfs/dbraw/zinc/38/54/93/260385493.db2.gz YLIDUXDKICMBBP-NSHDSACASA-N 0 0 286.766 3.864 10 0 CHAERN CCC(C)(CC)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000121012636 260706768 /nfs/dbraw/zinc/70/67/68/260706768.db2.gz IARKSBHIULOPNB-NSHDSACASA-N 0 0 252.358 3.527 10 0 CHAERN Cc1nc([C@H](C)NC(=O)NC2CCC(C)(C)CC2)cs1 ZINC000408252391 260710951 /nfs/dbraw/zinc/71/09/51/260710951.db2.gz PZKJUDYPXMGSTC-JTQLQIEISA-N 0 0 295.452 3.781 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc3c[nH]nc32)cc1F ZINC000088352633 260979074 /nfs/dbraw/zinc/97/90/74/260979074.db2.gz JMYLXWIFFCPNRT-NSHDSACASA-N 0 0 297.333 3.501 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000154075695 261087200 /nfs/dbraw/zinc/08/72/00/261087200.db2.gz BLHZRUQVNBTZBI-HUUCEWRRSA-N 0 0 293.407 3.665 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154075468 261087577 /nfs/dbraw/zinc/08/75/77/261087577.db2.gz BLHZRUQVNBTZBI-CABCVRRESA-N 0 0 293.407 3.665 10 0 CHAERN CCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000155520376 261103146 /nfs/dbraw/zinc/10/31/46/261103146.db2.gz OKKVUGZGYPZPMO-HZPDHXFCSA-N 0 0 272.392 3.651 10 0 CHAERN Fc1cccc(CN2C[C@@H]3CCC[C@H]32)c1Br ZINC000449036751 261117395 /nfs/dbraw/zinc/11/73/95/261117395.db2.gz VJQISOWFPYCNDK-JOYOIKCWSA-N 0 0 284.172 3.573 10 0 CHAERN CCc1csc([C@@H]2CCCN(c3cccc(C)n3)C2)n1 ZINC000157322713 261144207 /nfs/dbraw/zinc/14/42/07/261144207.db2.gz YKGQUULRAYFRAU-CYBMUJFWSA-N 0 0 287.432 3.793 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)CCc2ccc(F)cc2F)o1 ZINC000157733570 261151614 /nfs/dbraw/zinc/15/16/14/261151614.db2.gz MUHHUUHDQXBYJA-LLVKDONJSA-N 0 0 293.313 3.676 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3ccn(C)c3c2)o1 ZINC000173833183 261171241 /nfs/dbraw/zinc/17/12/41/261171241.db2.gz QJFXPXVIFBYMAW-GFCCVEGCSA-N 0 0 297.358 3.962 10 0 CHAERN Cc1ccccc1NCc1nc(CCc2ccccc2)no1 ZINC000174282193 261183378 /nfs/dbraw/zinc/18/33/78/261183378.db2.gz DTTKWVWZGWAIOF-UHFFFAOYSA-N 0 0 293.370 3.775 10 0 CHAERN CCCc1nc(CSCc2nccn2CC)cs1 ZINC000175289016 261218802 /nfs/dbraw/zinc/21/88/02/261218802.db2.gz JJTRRULZHSMECA-UHFFFAOYSA-N 0 0 281.450 3.745 10 0 CHAERN CCCn1nccc1NC(=O)C[C@H](C)c1ccccc1F ZINC000102604292 261268458 /nfs/dbraw/zinc/26/84/58/261268458.db2.gz NBLSLYLVCOOPJK-LBPRGKRZSA-N 0 0 289.354 3.565 10 0 CHAERN COC[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104463383 261294747 /nfs/dbraw/zinc/29/47/47/261294747.db2.gz KEYOGNZHCGADLZ-IAQYHMDHSA-N 0 0 295.810 3.580 10 0 CHAERN Cc1c(Cl)cccc1NCc1nc(-c2ccoc2)no1 ZINC000105606172 261313287 /nfs/dbraw/zinc/31/32/87/261313287.db2.gz YOICQOLDBQVYLI-UHFFFAOYSA-N 0 0 289.722 3.904 10 0 CHAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105850614 261317155 /nfs/dbraw/zinc/31/71/55/261317155.db2.gz WLOVTVYMSPTVCM-IUODEOHRSA-N 0 0 291.439 3.527 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)c2ccccc2)o1 ZINC000163730191 261327072 /nfs/dbraw/zinc/32/70/72/261327072.db2.gz JOPJPLIXPVNSBY-CHWSQXEVSA-N 0 0 257.333 3.569 10 0 CHAERN CCc1ccsc1CNc1ccc(OC(F)F)cn1 ZINC000301936055 261345141 /nfs/dbraw/zinc/34/51/41/261345141.db2.gz PSQMUTROALPVQY-UHFFFAOYSA-N 0 0 284.331 3.919 10 0 CHAERN COc1cccc(CSCc2nccn2C(C)C)c1 ZINC000171678309 261476986 /nfs/dbraw/zinc/47/69/86/261476986.db2.gz WHHLCSZVSGCPCK-UHFFFAOYSA-N 0 0 276.405 3.906 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccco2)o1 ZINC000172667640 261507273 /nfs/dbraw/zinc/50/72/73/261507273.db2.gz PLEQZINBCLOHNF-HNNXBMFYSA-N 0 0 287.359 3.867 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173017451 261518199 /nfs/dbraw/zinc/51/81/99/261518199.db2.gz GKHRHCOJNBGGLN-NSHDSACASA-N 0 0 274.339 3.595 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCc3c2cccc3F)o1 ZINC000184413700 262018998 /nfs/dbraw/zinc/01/89/98/262018998.db2.gz LSKVWJBHQRSEJD-LLVKDONJSA-N 0 0 288.322 3.560 10 0 CHAERN CCC[C@@H](N[C@H](C)c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000184495255 262021195 /nfs/dbraw/zinc/02/11/95/262021195.db2.gz BPTOLRCSBYEUCS-UKRRQHHQSA-N 0 0 292.423 3.551 10 0 CHAERN CCC[C@H](N[C@H](C)c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000184495241 262021391 /nfs/dbraw/zinc/02/13/91/262021391.db2.gz BPTOLRCSBYEUCS-HIFRSBDPSA-N 0 0 292.423 3.551 10 0 CHAERN CC/C=C/CCN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000184493693 262021553 /nfs/dbraw/zinc/02/15/53/262021553.db2.gz UUOCGKUEOVTDIV-GFUIURDCSA-N 0 0 263.385 3.686 10 0 CHAERN COc1ccc([C@H](C)NC(=O)[C@@H](C)CC(C)C)cc1OC ZINC000185151783 262044127 /nfs/dbraw/zinc/04/41/27/262044127.db2.gz XFEYMENXCZOUCQ-STQMWFEESA-N 0 0 293.407 3.563 10 0 CHAERN CC/C=C/CCSCc1nnc(C(C)C)n1C ZINC000185580818 262060225 /nfs/dbraw/zinc/06/02/25/262060225.db2.gz IWSHRQJBPFIEME-VOTSOKGWSA-N 0 0 253.415 3.528 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccccc2F)o1 ZINC000108988933 262078440 /nfs/dbraw/zinc/07/84/40/262078440.db2.gz CXWDVEWYOXYADK-NWDGAFQWSA-N 0 0 275.323 3.708 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2ccc(F)c(C)c2)C12CCOCC2 ZINC000186469247 262094823 /nfs/dbraw/zinc/09/48/23/262094823.db2.gz PXGXBENKAUVPSZ-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN CCCCOC[C@@H](O)CSc1ccc2ccccc2n1 ZINC000193359966 262221457 /nfs/dbraw/zinc/22/14/57/262221457.db2.gz ZYNOWHJHLYEPMO-CQSZACIVSA-N 0 0 291.416 3.505 10 0 CHAERN C[C@@H](COCc1ccccc1)Nc1ccc(Cl)cn1 ZINC000390658218 262235495 /nfs/dbraw/zinc/23/54/95/262235495.db2.gz KCZYWZJTAXDUQR-LBPRGKRZSA-N 0 0 276.767 3.752 10 0 CHAERN CC(C)[C@H](C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187022475 262335275 /nfs/dbraw/zinc/33/52/75/262335275.db2.gz CDBFFQLITSQTST-JTQLQIEISA-N 0 0 270.323 3.964 10 0 CHAERN Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3)c(C)c1 ZINC000063188084 262446828 /nfs/dbraw/zinc/44/68/28/262446828.db2.gz GOYWIPGSCCHMTB-UHFFFAOYSA-N 0 0 266.344 3.524 10 0 CHAERN CCn1ccnc1CSCc1cc(F)cc(F)c1 ZINC000187506682 263261145 /nfs/dbraw/zinc/26/11/45/263261145.db2.gz WUOZVSBRQOCAJM-UHFFFAOYSA-N 0 0 268.332 3.615 10 0 CHAERN CC(C)[C@@H](C)C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000171938828 335085812 /nfs/dbraw/zinc/08/58/12/335085812.db2.gz URZHKMIIECTDED-GDBMZVCRSA-N 0 0 289.419 3.657 10 0 CHAERN C[C@H]1C[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000052291681 264058006 /nfs/dbraw/zinc/05/80/06/264058006.db2.gz SQXSGVWMYFWOKL-XNCJUZBTSA-N 0 0 250.651 3.574 10 0 CHAERN C[C@@H]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000521401210 265438734 /nfs/dbraw/zinc/43/87/34/265438734.db2.gz GNRGPJCYROKOTM-ZWNOBZJWSA-N 0 0 269.182 3.847 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)C[C@H]2CCCCO2)cc1 ZINC000087001321 266029089 /nfs/dbraw/zinc/02/90/89/266029089.db2.gz REQQNFQNAWNVMV-WMLDXEAASA-N 0 0 289.419 3.946 10 0 CHAERN CCc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116047006 267120894 /nfs/dbraw/zinc/12/08/94/267120894.db2.gz DVKTXXPSFYWGMI-OAHLLOKOSA-N 0 0 269.344 3.819 10 0 CHAERN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116048258 267121299 /nfs/dbraw/zinc/12/12/99/267121299.db2.gz XMWQUEVIELXHSI-OAHLLOKOSA-N 0 0 269.344 3.874 10 0 CHAERN O=C(CCC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116212477 267134034 /nfs/dbraw/zinc/13/40/34/267134034.db2.gz LIEJJIHFEYOPNJ-OAHLLOKOSA-N 0 0 297.354 3.606 10 0 CHAERN Cc1cccc(NC(=O)CN2CCC[C@@H]2c2ccco2)c1C ZINC000116290348 267135728 /nfs/dbraw/zinc/13/57/28/267135728.db2.gz MFNUREJAMCWNRC-MRXNPFEDSA-N 0 0 298.386 3.672 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccco2)o1 ZINC000116420867 267151862 /nfs/dbraw/zinc/15/18/62/267151862.db2.gz IFTWFNLTYAXCML-OLZOCXBDSA-N 0 0 288.347 3.789 10 0 CHAERN O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116406090 267152012 /nfs/dbraw/zinc/15/20/12/267152012.db2.gz TWIHNUBWIUKNHP-ZDUSSCGKSA-N 0 0 274.295 3.788 10 0 CHAERN Fc1cccc(F)c1[C@@H]1C[C@H]1c1nc(-c2ccncc2)no1 ZINC000116604565 267167381 /nfs/dbraw/zinc/16/73/81/267167381.db2.gz YQDDGXYHLJDYLA-GHMZBOCLSA-N 0 0 299.280 3.681 10 0 CHAERN O=C(NCc1ccccc1)N1CC=C(c2cccs2)CC1 ZINC000117954891 267230952 /nfs/dbraw/zinc/23/09/52/267230952.db2.gz JTIUYYXFXCUQIB-UHFFFAOYSA-N 0 0 298.411 3.747 10 0 CHAERN O=C(c1ccc2[nH]ccc2c1)N1C[C@@H]2CCCCC[C@H]21 ZINC000370714714 267340977 /nfs/dbraw/zinc/34/09/77/267340977.db2.gz CQEBFCPPKOFTRL-GOEBONIOSA-N 0 0 268.360 3.573 10 0 CHAERN C[C@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CC1(Cl)Cl ZINC000121672974 267705179 /nfs/dbraw/zinc/70/51/79/267705179.db2.gz BTLBVQUUWCMLJT-GXTWGEPZSA-N 0 0 298.213 3.586 10 0 CHAERN CCC(CC)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121673833 267705368 /nfs/dbraw/zinc/70/53/68/267705368.db2.gz DSVLSIKJMXECBT-CQSZACIVSA-N 0 0 275.392 3.841 10 0 CHAERN CC(C)c1noc([C@@H](C)Nc2ccc3scnc3c2)n1 ZINC000171116523 327751801 /nfs/dbraw/zinc/75/18/01/327751801.db2.gz CDLYONKSTGUSNY-SECBINFHSA-N 0 0 288.376 3.976 10 0 CHAERN Cc1ccc(-c2n[nH]cc2CNc2nc(C(C)C)no2)cc1 ZINC000181857823 327810530 /nfs/dbraw/zinc/81/05/30/327810530.db2.gz WLDUDIRLKOODET-UHFFFAOYSA-N 0 0 297.362 3.504 10 0 CHAERN Cc1ccc(F)cc1C(=O)Nc1ccc2c(c1)CCCN2 ZINC000062665120 327865525 /nfs/dbraw/zinc/86/55/25/327865525.db2.gz RWSSGIFPFXHTDM-UHFFFAOYSA-N 0 0 284.334 3.745 10 0 CHAERN O=C(Nc1cccc(F)c1F)c1cccc2c1CCCN2 ZINC000061411972 327945978 /nfs/dbraw/zinc/94/59/78/327945978.db2.gz ATZJDKNUNDNPHG-UHFFFAOYSA-N 0 0 288.297 3.575 10 0 CHAERN CCCCC1CCC(C(=O)N[C@@H](CO)CC(C)C)CC1 ZINC000040780541 328020378 /nfs/dbraw/zinc/02/03/78/328020378.db2.gz WCCSELFHMFIQPC-UYSNPLJNSA-N 0 0 283.456 3.506 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)NCCC2CCCC2)o1 ZINC000048059907 328039497 /nfs/dbraw/zinc/03/94/97/328039497.db2.gz UEHJALMDFGEUNB-LBPRGKRZSA-N 0 0 264.369 3.529 10 0 CHAERN Cc1cnc([C@H](C)NCc2ccc(Cl)s2)o1 ZINC000220903862 329204115 /nfs/dbraw/zinc/20/41/15/329204115.db2.gz GSDJKPPLPKJEQI-QMMMGPOBSA-N 0 0 256.758 3.549 10 0 CHAERN COC(C)(C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000170968001 328234735 /nfs/dbraw/zinc/23/47/35/328234735.db2.gz GAIDRUOOXVCJRV-CQSZACIVSA-N 0 0 297.398 3.956 10 0 CHAERN COc1ccc([C@H](C)NC(=O)C2CCCCCC2)cc1F ZINC000101810040 328377233 /nfs/dbraw/zinc/37/72/33/328377233.db2.gz VWZVMDCLDYIILE-LBPRGKRZSA-N 0 0 293.382 3.982 10 0 CHAERN FC(F)(F)c1ccc(Cl)c(CNc2ncccn2)c1 ZINC000187916040 328388180 /nfs/dbraw/zinc/38/81/80/328388180.db2.gz NWYDAUSHSQFEGN-UHFFFAOYSA-N 0 0 287.672 3.761 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@H](C)c2ccccc2F)c1 ZINC000037086637 326835950 /nfs/dbraw/zinc/83/59/50/326835950.db2.gz AJKSYCAMMNMOQG-GFCCVEGCSA-N 0 0 286.350 3.667 10 0 CHAERN CC(=O)Nc1cccc([C@H](C)Nc2cccnc2C)c1 ZINC000091495709 327102807 /nfs/dbraw/zinc/10/28/07/327102807.db2.gz MHUKQPKYGODRPM-NSHDSACASA-N 0 0 269.348 3.522 10 0 CHAERN Cc1nc(-c2cccc(NCc3cnn(C)c3C)c2)cs1 ZINC000093649673 327133046 /nfs/dbraw/zinc/13/30/46/327133046.db2.gz LLXFBGAPAFAXJR-UHFFFAOYSA-N 0 0 298.415 3.773 10 0 CHAERN O=C(NCCc1ccsc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000150831589 327386543 /nfs/dbraw/zinc/38/65/43/327386543.db2.gz ZEENXXVPIYSJEY-HUUCEWRRSA-N 0 0 277.433 3.623 10 0 CHAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1cccc2ccccc21 ZINC000151071782 327425269 /nfs/dbraw/zinc/42/52/69/327425269.db2.gz XSADBXUWFMUDEH-GUYCJALGSA-N 0 0 283.371 3.760 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(C)(C)C2)cc1F ZINC000156668537 327528384 /nfs/dbraw/zinc/52/83/84/327528384.db2.gz LAJRSMNYEMYTMV-LBPRGKRZSA-N 0 0 278.371 3.637 10 0 CHAERN C[C@@H](N[C@H](C)c1cnccn1)c1ccc(F)c(Cl)c1 ZINC000152344216 327559953 /nfs/dbraw/zinc/55/99/53/327559953.db2.gz HHSIGDFUNNEJMV-NXEZZACHSA-N 0 0 279.746 3.681 10 0 CHAERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000114786914 328658128 /nfs/dbraw/zinc/65/81/28/328658128.db2.gz MONHYVBFGLMKCY-CABZTGNLSA-N 0 0 282.181 3.824 10 0 CHAERN COC[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000103357742 328767887 /nfs/dbraw/zinc/76/78/87/328767887.db2.gz WRVRELCBCKIVNA-CYBMUJFWSA-N 0 0 285.343 3.700 10 0 CHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000193853071 329062139 /nfs/dbraw/zinc/06/21/39/329062139.db2.gz OGDZHTNTGCJDRZ-JKIFEVAISA-N 0 0 289.419 3.660 10 0 CHAERN COc1cc(CNc2cccc(-c3cnco3)c2)ccc1O ZINC000193910676 329063610 /nfs/dbraw/zinc/06/36/10/329063610.db2.gz ABRARYCHMYBDIW-UHFFFAOYSA-N 0 0 296.326 3.668 10 0 CHAERN CC(C)[C@H](C)CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171610075 329078047 /nfs/dbraw/zinc/07/80/47/329078047.db2.gz GOZVJMBLGMCRNU-OAHLLOKOSA-N 0 0 288.435 3.545 10 0 CHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccs1 ZINC000172111696 329081218 /nfs/dbraw/zinc/08/12/18/329081218.db2.gz IPXOHXFQYFGECR-NEPJUHHUSA-N 0 0 290.388 3.949 10 0 CHAERN Cc1nc(NC(=O)N2CCC[C@H]2c2ccco2)sc1C ZINC000172101027 329081238 /nfs/dbraw/zinc/08/12/38/329081238.db2.gz ZAPFEIPWWOQNJC-NSHDSACASA-N 0 0 291.376 3.722 10 0 CHAERN O=C(N[C@H]1CCOc2ccccc21)c1coc2ccccc12 ZINC000172001281 329083177 /nfs/dbraw/zinc/08/31/77/329083177.db2.gz MPNJDYVRKQUWQF-HNNXBMFYSA-N 0 0 293.322 3.686 10 0 CHAERN CCc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000172247962 329084189 /nfs/dbraw/zinc/08/41/89/329084189.db2.gz ANHSXURMPXJXNV-SFHVURJKSA-N 0 0 297.446 3.936 10 0 CHAERN O=C(N[C@@H]1CC=CCC1)N1CC=C(c2cccs2)CC1 ZINC000172483254 329136868 /nfs/dbraw/zinc/13/68/68/329136868.db2.gz LHHJKXFZDHUEEO-CQSZACIVSA-N 0 0 288.416 3.656 10 0 CHAERN Clc1ccccc1-c1cnc(CN2CCSCC2)o1 ZINC000173534620 329148488 /nfs/dbraw/zinc/14/84/88/329148488.db2.gz VSSIHIPTLXBJMB-UHFFFAOYSA-N 0 0 294.807 3.544 10 0 CHAERN O=C(CCC1CCC1)N1CCCC[C@H]1c1nccs1 ZINC000176465952 329175789 /nfs/dbraw/zinc/17/57/89/329175789.db2.gz GHVTZQAQVVWAAP-ZDUSSCGKSA-N 0 0 278.421 3.777 10 0 CHAERN O=C(CC1CCCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176512654 329176016 /nfs/dbraw/zinc/17/60/16/329176016.db2.gz DPPUATKFINPTAB-INIZCTEOSA-N 0 0 289.423 3.824 10 0 CHAERN CC(C)n1ccnc1C[S@@](=O)c1ccc2ccccc2c1 ZINC000177082391 329182997 /nfs/dbraw/zinc/18/29/97/329182997.db2.gz CYTZPIIEPPWXGZ-OAQYLSRUSA-N 0 0 298.411 3.925 10 0 CHAERN CC(C)n1ccnc1C[S@](=O)c1ccc2ccccc2c1 ZINC000177082405 329183120 /nfs/dbraw/zinc/18/31/20/329183120.db2.gz CYTZPIIEPPWXGZ-NRFANRHFSA-N 0 0 298.411 3.925 10 0 CHAERN CC(C)=C(F)C(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000177511194 329185310 /nfs/dbraw/zinc/18/53/10/329185310.db2.gz IKUGIZJPNFZEDB-MRXNPFEDSA-N 0 0 284.334 3.551 10 0 CHAERN Cc1ccc(NCc2cc[nH]c2)cc1-c1ncco1 ZINC000178251917 329195052 /nfs/dbraw/zinc/19/50/52/329195052.db2.gz KMSHXPZGDMKSFD-UHFFFAOYSA-N 0 0 253.305 3.590 10 0 CHAERN CC1(C)[C@H](Nc2ccc(-c3ncco3)cc2)[C@H]2CCCO[C@@H]21 ZINC000180082012 329215040 /nfs/dbraw/zinc/21/50/40/329215040.db2.gz UXBJEUZKSKZQLE-OAGGEKHMSA-N 0 0 298.386 3.957 10 0 CHAERN C[C@H]1C[C@@H](C(=O)N2CCC3(CCC3)C2)CC(C)(C)C1 ZINC000180435295 329216981 /nfs/dbraw/zinc/21/69/81/329216981.db2.gz ROYBNUGWQRKDAV-UONOGXRCSA-N 0 0 263.425 3.851 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CC23CCCCC3)o1 ZINC000180284627 329219457 /nfs/dbraw/zinc/21/94/57/329219457.db2.gz PRCJGYUUMBJFBA-JSGCOSHPSA-N 0 0 276.380 3.671 10 0 CHAERN CCO[C@@H]1C[C@@H](N(C)Cc2ncc(C)s2)C12CCCC2 ZINC000180593450 329220964 /nfs/dbraw/zinc/22/09/64/329220964.db2.gz IDQYUQCUJNIMHD-ZIAGYGMSSA-N 0 0 294.464 3.621 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccco1)[C@H](C)C2 ZINC000181254484 329228085 /nfs/dbraw/zinc/22/80/85/329228085.db2.gz NGAHTZYNADBZEE-FZKQIMNGSA-N 0 0 283.371 3.570 10 0 CHAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccnc1 ZINC000181411283 329236581 /nfs/dbraw/zinc/23/65/81/329236581.db2.gz YXHRTZRHWIJDNO-BEFAXECRSA-N 0 0 289.382 3.917 10 0 CHAERN C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(F)c(Cl)c1 ZINC000182218934 329241071 /nfs/dbraw/zinc/24/10/71/329241071.db2.gz JCTFJQQFUASQMH-SECBINFHSA-N 0 0 293.725 3.676 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccco2)CC(C)(C)C1 ZINC000182490128 329242403 /nfs/dbraw/zinc/24/24/03/329242403.db2.gz FXYHQTPKEMARJZ-CHWSQXEVSA-N 0 0 263.381 3.700 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(O)c2)o1 ZINC000182500117 329242632 /nfs/dbraw/zinc/24/26/32/329242632.db2.gz VWLMHXWIKFCNLI-OAHLLOKOSA-N 0 0 285.343 3.661 10 0 CHAERN C[C@@H]1C[C@@H](C(=O)NCC(=O)c2cccs2)CC(C)(C)C1 ZINC000182948695 329245900 /nfs/dbraw/zinc/24/59/00/329245900.db2.gz XZVDDYPCBCITJB-VXGBXAGGSA-N 0 0 293.432 3.509 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)COC(C)(C)C)c2ccccc21 ZINC000183507668 329248386 /nfs/dbraw/zinc/24/83/86/329248386.db2.gz ATHDLWANTICPEQ-DOMZBBRYSA-N 0 0 275.392 3.556 10 0 CHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccncc1F)[C@@H](C)C2 ZINC000184241594 329258156 /nfs/dbraw/zinc/25/81/56/329258156.db2.gz KTPNBCDZKDKBQB-MEDUHNTESA-N 0 0 299.349 3.584 10 0 CHAERN C[C@H]1C[C@@H](C(=O)Nc2ccncc2F)CC(C)(C)C1 ZINC000184324841 329258946 /nfs/dbraw/zinc/25/89/46/329258946.db2.gz AYDOBOXZCXCCOE-WDEREUQCSA-N 0 0 264.344 3.622 10 0 CHAERN O[C@@H]1CCOc2c(NC3CC(c4ccccc4)C3)cccc21 ZINC000184573345 329259929 /nfs/dbraw/zinc/25/99/29/329259929.db2.gz DCNXVTBYPACQAO-JTTJXQCZSA-N 0 0 295.382 3.861 10 0 CHAERN C=Cc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000185252463 329269696 /nfs/dbraw/zinc/26/96/96/329269696.db2.gz SPJOUQNWZQIZAU-GFCCVEGCSA-N 0 0 255.317 3.722 10 0 CHAERN O=C(CCc1ccco1)N1CC=C(c2ccccc2F)CC1 ZINC000186137216 329338362 /nfs/dbraw/zinc/33/83/62/329338362.db2.gz LHIGWTMVJZNONI-UHFFFAOYSA-N 0 0 299.345 3.667 10 0 CHAERN CCO[C@@H]1C[C@@H](Nc2cc(C)cc(F)c2)C12CCOCC2 ZINC000186478303 329343010 /nfs/dbraw/zinc/34/30/10/329343010.db2.gz PUNMLIHDTZHRSW-HZPDHXFCSA-N 0 0 293.382 3.520 10 0 CHAERN C[C@H]1CCC[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)C1 ZINC000186546570 329345169 /nfs/dbraw/zinc/34/51/69/329345169.db2.gz MGPATLGMZKHXCR-AAEUAGOBSA-N 0 0 273.380 3.655 10 0 CHAERN Cn1ccnc1-c1cccc(NC(=O)Nc2ccsc2)c1 ZINC000186597716 329345914 /nfs/dbraw/zinc/34/59/14/329345914.db2.gz GMWJGBLUYOAUJB-UHFFFAOYSA-N 0 0 298.371 3.793 10 0 CHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3coc(C)c3)C2)cc1 ZINC000187148297 329353455 /nfs/dbraw/zinc/35/34/55/329353455.db2.gz KSTVJTUKLTZHQC-IUODEOHRSA-N 0 0 299.370 3.615 10 0 CHAERN Cc1cnc([C@H](C)Nc2ncc(Cl)cc2Cl)o1 ZINC000231747372 329378631 /nfs/dbraw/zinc/37/86/31/329378631.db2.gz OCNUTXOOJAPVDM-ZETCQYMHSA-N 0 0 272.135 3.858 10 0 CHAERN Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1O ZINC000189528043 329383160 /nfs/dbraw/zinc/38/31/60/329383160.db2.gz VSPITWPITRWVOB-UHFFFAOYSA-N 0 0 293.366 3.630 10 0 CHAERN CC(C)C[C@@H](C)NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000189648469 329385172 /nfs/dbraw/zinc/38/51/72/329385172.db2.gz MTLFGUPNUPVHTQ-IUODEOHRSA-N 0 0 290.407 3.503 10 0 CHAERN CCOC1CC(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000190011379 329391812 /nfs/dbraw/zinc/39/18/12/329391812.db2.gz IXKKHKVDKYKNGL-BNICSPFPSA-N 0 0 293.451 3.524 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCc3c(O)cccc32)o1 ZINC000190121763 329392189 /nfs/dbraw/zinc/39/21/89/329392189.db2.gz XLIKEPVJCPVWBM-DOMZBBRYSA-N 0 0 299.370 3.591 10 0 CHAERN CC[C@@H](C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000190518661 329398838 /nfs/dbraw/zinc/39/88/38/329398838.db2.gz YQTNSAMAOHSRLN-CQSZACIVSA-N 0 0 257.377 3.739 10 0 CHAERN C[C@]1(C(=O)N2CCC[C@H]2c2ccccc2)CC1(Cl)Cl ZINC000192780006 329436027 /nfs/dbraw/zinc/43/60/27/329436027.db2.gz BSZMEEYYZGNIAF-GXTWGEPZSA-N 0 0 298.213 3.934 10 0 CHAERN CCOC(=O)[C@@H](C)c1nc(-c2ccc(C)s2)cs1 ZINC000310734337 329539415 /nfs/dbraw/zinc/53/94/15/329539415.db2.gz OLVYSMKRCKQWIK-VIFPVBQESA-N 0 0 281.402 3.847 10 0 CHAERN C[C@H]1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)c2ccccc21 ZINC000190854505 329550851 /nfs/dbraw/zinc/55/08/51/329550851.db2.gz UAKUPYKWAICBSE-ZBEGNZNMSA-N 0 0 295.386 3.656 10 0 CHAERN Cc1cc([C@H](C)NC(=O)N[C@H](C)C(C)C)c(C)s1 ZINC000047685404 329620377 /nfs/dbraw/zinc/62/03/77/329620377.db2.gz BFMIKRSPJXWMTI-MNOVXSKESA-N 0 0 268.426 3.770 10 0 CHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)O1 ZINC000132895586 329649503 /nfs/dbraw/zinc/64/95/03/329649503.db2.gz ASDJNAHROXEGHA-WBMJQRKESA-N 0 0 289.375 3.514 10 0 CHAERN Cc1ccc([C@H]2CN(C(=O)CCCC(C)(C)C)CCO2)o1 ZINC000133350728 329652367 /nfs/dbraw/zinc/65/23/67/329652367.db2.gz PCURXPNRPGVHPX-OAHLLOKOSA-N 0 0 293.407 3.704 10 0 CHAERN CCCC(CCC)C(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000133461374 329652945 /nfs/dbraw/zinc/65/29/45/329652945.db2.gz SBRPMFLWRGOWGK-MRXNPFEDSA-N 0 0 293.407 3.704 10 0 CHAERN CCC(CC)C(=O)N1CCC[C@H](COc2ccccc2)C1 ZINC000062078729 329681690 /nfs/dbraw/zinc/68/16/90/329681690.db2.gz KGTFPJSLZIWYEY-HNNXBMFYSA-N 0 0 289.419 3.740 10 0 CHAERN CC(=O)CCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000194487928 329686935 /nfs/dbraw/zinc/68/69/35/329686935.db2.gz ZUUZECDSFMWKIU-AWEZNQCLSA-N 0 0 275.392 3.747 10 0 CHAERN CCn1c(C)nnc1CSc1ccc(C)c(C)c1 ZINC000194667264 329687838 /nfs/dbraw/zinc/68/78/38/329687838.db2.gz SLVBONSWXJTWCG-UHFFFAOYSA-N 0 0 261.394 3.516 10 0 CHAERN COc1ccc(NC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cc1O ZINC000195206637 329691018 /nfs/dbraw/zinc/69/10/18/329691018.db2.gz YECDATRTCBLMOZ-NEPJUHHUSA-N 0 0 291.391 3.802 10 0 CHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C)O2)o1 ZINC000246024202 329769183 /nfs/dbraw/zinc/76/91/83/329769183.db2.gz MVQSKSGLAMYVRU-IJEWVQPXSA-N 0 0 291.391 3.599 10 0 CHAERN COc1ccccc1[C@H]1CCCN1C(=O)N[C@@H](C)C(C)C ZINC000069260395 329853986 /nfs/dbraw/zinc/85/39/86/329853986.db2.gz OSNQZGYHSLCFAV-DZGCQCFKSA-N 0 0 290.407 3.586 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2)o1 ZINC000069721494 329854360 /nfs/dbraw/zinc/85/43/60/329854360.db2.gz RDWOAJXSMVCTNT-JTQLQIEISA-N 0 0 263.724 3.732 10 0 CHAERN O=C(NCc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000074987414 329866051 /nfs/dbraw/zinc/86/60/51/329866051.db2.gz OBDYKEHMNLWEJK-UHFFFAOYSA-N 0 0 288.350 3.679 10 0 CHAERN CCc1ccccc1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000077545379 329929451 /nfs/dbraw/zinc/92/94/51/329929451.db2.gz UCXCCYITEXIGQX-CYBMUJFWSA-N 0 0 286.375 3.711 10 0 CHAERN CCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000078185781 329944273 /nfs/dbraw/zinc/94/42/73/329944273.db2.gz CXPSCOYURSLBBO-ZFWWWQNUSA-N 0 0 275.392 3.590 10 0 CHAERN Cc1cccc([C@H](NC(=O)C[C@@H](O)C(C)C)C(C)(C)C)c1 ZINC000161993850 329964291 /nfs/dbraw/zinc/96/42/91/329964291.db2.gz CPOUDXVPIQHQTR-WBVHZDCISA-N 0 0 291.435 3.605 10 0 CHAERN CCCc1csc(CN2CCCc3c(N)cccc32)n1 ZINC000261681926 329977594 /nfs/dbraw/zinc/97/75/94/329977594.db2.gz AJHZUIDEBZAHJJ-UHFFFAOYSA-N 0 0 287.432 3.631 10 0 CHAERN CC1(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCC1 ZINC000162359676 330003717 /nfs/dbraw/zinc/00/37/17/330003717.db2.gz LUCJNDYYMQTHQO-ZDUSSCGKSA-N 0 0 288.391 3.531 10 0 CHAERN CCC(CC)(C[NH2+][C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263085803 330042889 /nfs/dbraw/zinc/04/28/89/330042889.db2.gz SMIOAJSZDSTWKT-LBPRGKRZSA-N 0 0 297.826 3.752 10 0 CHAERN Cc1nccc(NC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000332963847 330126199 /nfs/dbraw/zinc/12/61/99/330126199.db2.gz ANQGQSJPRRGLGP-ABAIWWIYSA-N 0 0 296.374 3.545 10 0 CHAERN COC(=O)[C@H]1CCCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000105979507 330329698 /nfs/dbraw/zinc/32/96/98/330329698.db2.gz PIEFGHXEGLDSEA-MRXNPFEDSA-N 0 0 289.419 3.512 10 0 CHAERN C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000046743140 330355497 /nfs/dbraw/zinc/35/54/97/330355497.db2.gz HFJFUAJLDGPRNY-SUMWQHHRSA-N 0 0 283.371 3.586 10 0 CHAERN CCCCN(C)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056909615 330369493 /nfs/dbraw/zinc/36/94/93/330369493.db2.gz ICZGHTSCMUBBCQ-AWEZNQCLSA-N 0 0 280.799 3.769 10 0 CHAERN CC1(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCCCC1 ZINC000119109106 330370300 /nfs/dbraw/zinc/37/03/00/330370300.db2.gz VVILYDSBJQOYDJ-CABCVRRESA-N 0 0 279.424 3.517 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@H]2CC[C@H](C)O2)cc1F ZINC000119423135 330374809 /nfs/dbraw/zinc/37/48/09/330374809.db2.gz ZEAJRQNULVNFOX-KCQAQPDRSA-N 0 0 293.382 3.659 10 0 CHAERN CCc1cnc([C@@H](C)Nc2ncccc2Cl)s1 ZINC000088727957 330378583 /nfs/dbraw/zinc/37/85/83/330378583.db2.gz QRKHWYPXIULISU-MRVPVSSYSA-N 0 0 267.785 3.927 10 0 CHAERN CCc1cc(N[C@@H](CC)c2cccs2)nc(C)n1 ZINC000088760288 330378725 /nfs/dbraw/zinc/37/87/25/330378725.db2.gz HXOIUDFYAVVFSS-LBPRGKRZSA-N 0 0 261.394 3.972 10 0 CHAERN CCC(=O)[C@H]1CCCN(c2ccc(C(C)C)cc2)C1=O ZINC000536951384 330382333 /nfs/dbraw/zinc/38/23/33/330382333.db2.gz UUURSRUNNGACEX-OAHLLOKOSA-N 0 0 273.376 3.532 10 0 CHAERN CC(C)(C)OC(=O)NC1CCC2(CC1)CCC=CCO2 ZINC000536956142 330383211 /nfs/dbraw/zinc/38/32/11/330383211.db2.gz VYUQYDXMNVABIO-UHFFFAOYSA-N 0 0 281.396 3.559 10 0 CHAERN CCCC[C@H](CC)CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120688336 330391459 /nfs/dbraw/zinc/39/14/59/330391459.db2.gz WHZMWHOBNRFZSJ-JZXOWHBKSA-N 0 0 295.467 3.747 10 0 CHAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)CSCc1ccccc1 ZINC000121072323 330396093 /nfs/dbraw/zinc/39/60/93/330396093.db2.gz NPBCRYGSSIMZQU-UONOGXRCSA-N 0 0 279.449 3.717 10 0 CHAERN c1csc(-c2cccc(NCc3cc[nH]c3)c2)n1 ZINC000090994736 330397760 /nfs/dbraw/zinc/39/77/60/330397760.db2.gz PGFHPOCVVMFEEP-UHFFFAOYSA-N 0 0 255.346 3.750 10 0 CHAERN CC(C)[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000060249642 330411990 /nfs/dbraw/zinc/41/19/90/330411990.db2.gz UHGMGQNPVLHDQZ-QMMMGPOBSA-N 0 0 277.261 3.619 10 0 CHAERN O=C(c1cc2ccncc2s1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000451872236 331045572 /nfs/dbraw/zinc/04/55/72/331045572.db2.gz XEHFEWFGEPUILN-OAHLLOKOSA-N 0 0 298.411 3.701 10 0 CHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(O)cc1F)[C@@H](C)C2 ZINC000163817880 331128917 /nfs/dbraw/zinc/12/89/17/331128917.db2.gz VVFXRKMVUIHQJF-GTNSWQLSSA-N 0 0 299.345 3.503 10 0 CHAERN Cc1ccc(C(F)(F)F)cc1N[C@H]1CCOC[C@H]1C ZINC000195077499 331137551 /nfs/dbraw/zinc/13/75/51/331137551.db2.gz KQTRQEXITYVMDI-PWSUYJOCSA-N 0 0 273.298 3.851 10 0 CHAERN O=C(Nc1ccc2c(c1)CCN2)c1cccc(F)c1Cl ZINC000165344030 331306144 /nfs/dbraw/zinc/30/61/44/331306144.db2.gz KSBVUULCZNMASA-UHFFFAOYSA-N 0 0 290.725 3.699 10 0 CHAERN C[C@H](COCc1ccccc1)NC(=O)CC1=CCCCC1 ZINC000172958320 332955370 /nfs/dbraw/zinc/95/53/70/332955370.db2.gz KFQKRKJJPLMFCK-OAHLLOKOSA-N 0 0 287.403 3.598 10 0 CHAERN C[C@@H](Nc1cccc2ccncc21)c1cncs1 ZINC000165737162 334902550 /nfs/dbraw/zinc/90/25/50/334902550.db2.gz AKCSIDXBGSJPKL-SNVBAGLBSA-N 0 0 255.346 3.864 10 0 CHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCC(C)C)o1 ZINC000173275213 332968022 /nfs/dbraw/zinc/96/80/22/332968022.db2.gz JXTYKJYFTBVZBJ-AWEZNQCLSA-N 0 0 278.396 3.871 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCC2CC2)o1 ZINC000173298858 332968328 /nfs/dbraw/zinc/96/83/28/332968328.db2.gz CILFRBZMTAIYFG-CQSZACIVSA-N 0 0 276.380 3.625 10 0 CHAERN COc1ccc([C@@H](C)C(=O)N2CCC(C(C)C)CC2)cc1 ZINC000174506026 333000948 /nfs/dbraw/zinc/00/09/48/333000948.db2.gz QZXYLTYIBBSTAY-CQSZACIVSA-N 0 0 289.419 3.693 10 0 CHAERN CCC1(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000175913220 333037700 /nfs/dbraw/zinc/03/77/00/333037700.db2.gz KOVVUVYTSKHRPJ-GHMZBOCLSA-N 0 0 292.345 3.739 10 0 CHAERN C[C@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000176407190 333041806 /nfs/dbraw/zinc/04/18/06/333041806.db2.gz VWGFMCUSYCKMOC-YNEHKIRRSA-N 0 0 278.421 3.641 10 0 CHAERN CC(C)c1ccc([C@H](C)Nc2ncnc3nn(C)cc32)cc1 ZINC000178859272 333078011 /nfs/dbraw/zinc/07/80/11/333078011.db2.gz HPPSDYUMZJJFQQ-LBPRGKRZSA-N 0 0 295.390 3.660 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCc2ccco2)cc1F ZINC000088233693 333087251 /nfs/dbraw/zinc/08/72/51/333087251.db2.gz JLGMFPAMJYBUDL-LBPRGKRZSA-N 0 0 275.323 3.537 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCCCO2)cc1F ZINC000088234085 333087293 /nfs/dbraw/zinc/08/72/93/333087293.db2.gz XFRBNBJBPDKIBJ-ZFWWWQNUSA-N 0 0 293.382 3.661 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1F ZINC000088467467 333089388 /nfs/dbraw/zinc/08/93/88/333089388.db2.gz NUCBBVFMIMPQCL-NSHDSACASA-N 0 0 297.333 3.501 10 0 CHAERN Cc1csc(N(C)C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000183185554 333119375 /nfs/dbraw/zinc/11/93/75/333119375.db2.gz NCGDYBVJZFEWML-PWSUYJOCSA-N 0 0 280.437 3.877 10 0 CHAERN CCCN(CCc1cccs1)C(=O)N[C@@H](C)C(C)C ZINC000184083299 333124889 /nfs/dbraw/zinc/12/48/89/333124889.db2.gz HXSVRBYJVUVLDL-ZDUSSCGKSA-N 0 0 282.453 3.757 10 0 CHAERN CSc1cccc(C)c1NC(=O)N[C@@H](C)C(C)C ZINC000184947841 333133601 /nfs/dbraw/zinc/13/36/01/333133601.db2.gz PQZPGCFZFSVYLA-NSHDSACASA-N 0 0 266.410 3.883 10 0 CHAERN Cc1cnc([C@H](C)N[C@H](C)c2cc(F)ccc2F)o1 ZINC000220905920 333170569 /nfs/dbraw/zinc/17/05/69/333170569.db2.gz CRLZKWOXXFNDRW-ZJUUUORDSA-N 0 0 266.291 3.673 10 0 CHAERN Cc1cnc([C@H](C)NCc2cccc3ccccc32)o1 ZINC000220926259 333170879 /nfs/dbraw/zinc/17/08/79/333170879.db2.gz HHKDQSOEQLWOCY-ZDUSSCGKSA-N 0 0 266.344 3.987 10 0 CHAERN Cc1cc(C)c(NC(=O)N[C@H]2C[C@H]2C)cc1Br ZINC000187535773 333172228 /nfs/dbraw/zinc/17/22/28/333172228.db2.gz XEGPHHQHUDPCQM-KOLCDFICSA-N 0 0 297.196 3.596 10 0 CHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000189066085 333179823 /nfs/dbraw/zinc/17/98/23/333179823.db2.gz XQVRTSKBIFQPQT-GJZGRUSLSA-N 0 0 299.414 3.660 10 0 CHAERN CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000152561370 333181440 /nfs/dbraw/zinc/18/14/40/333181440.db2.gz RRHHGQOCLINNSI-GRYCIOLGSA-N 0 0 292.345 3.549 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc3ccn(C)c32)o1 ZINC000190043309 333202613 /nfs/dbraw/zinc/20/26/13/333202613.db2.gz ALPSPHHXAFQWAI-LBPRGKRZSA-N 0 0 297.358 3.962 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc3ccn(C)c32)o1 ZINC000190043294 333202689 /nfs/dbraw/zinc/20/26/89/333202689.db2.gz ALPSPHHXAFQWAI-GFCCVEGCSA-N 0 0 297.358 3.962 10 0 CHAERN Cc1c(N[C@H]2CCOC[C@@H]2C)cccc1C(F)(F)F ZINC000195078135 333245046 /nfs/dbraw/zinc/24/50/46/333245046.db2.gz OTKSZPLEVKXBJG-CABZTGNLSA-N 0 0 273.298 3.851 10 0 CHAERN CC(C)c1c(N[C@@H]2CCOC[C@H]2C)cnn1-c1ccccc1 ZINC000195130504 333246455 /nfs/dbraw/zinc/24/64/55/333246455.db2.gz QSNZDYQHDAYRKR-GDBMZVCRSA-N 0 0 299.418 3.833 10 0 CHAERN COc1ncccc1CN1CCCC[C@H]1c1ccc(C)o1 ZINC000193357950 333248688 /nfs/dbraw/zinc/24/86/88/333248688.db2.gz CDGWPVMQIYBQDY-HNNXBMFYSA-N 0 0 286.375 3.719 10 0 CHAERN CC(C)CCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195397853 333252025 /nfs/dbraw/zinc/25/20/25/333252025.db2.gz QVLRWUXQQSNFKZ-ZDUSSCGKSA-N 0 0 296.480 3.860 10 0 CHAERN CC(C)=CCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000195398817 333252069 /nfs/dbraw/zinc/25/20/69/333252069.db2.gz HWQHBYSNHXZYHM-ZDUSSCGKSA-N 0 0 294.464 3.780 10 0 CHAERN C[C@@H]1CCC[C@H](c2noc(-c3ccc(O)cc3F)n2)C1 ZINC000230229045 333316083 /nfs/dbraw/zinc/31/60/83/333316083.db2.gz CBFICPSNSQAYBN-ZJUUUORDSA-N 0 0 276.311 3.875 10 0 CHAERN Cc1ccccc1NCCc1nc([C@H]2CC2(C)C)no1 ZINC000230996298 333323470 /nfs/dbraw/zinc/32/34/70/333323470.db2.gz LLRXFHWBGCMAQJ-GFCCVEGCSA-N 0 0 271.364 3.546 10 0 CHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000231692659 333328371 /nfs/dbraw/zinc/32/83/71/333328371.db2.gz MXJPTCFDQCRWNL-QPUJVOFHSA-N 0 0 289.272 3.763 10 0 CHAERN CC[C@H]1CCCCCN1C(=O)c1cccc2c1CCCN2 ZINC000124870773 333562035 /nfs/dbraw/zinc/56/20/35/333562035.db2.gz SJORXOODSQBNAQ-AWEZNQCLSA-N 0 0 286.419 3.840 10 0 CHAERN C[C@H](NC(=O)[C@H](C)SC1CCCC1)c1ccccc1 ZINC000066276155 333619004 /nfs/dbraw/zinc/61/90/04/333619004.db2.gz XEFKWWDQQGROHC-STQMWFEESA-N 0 0 277.433 3.928 10 0 CHAERN CCCCOCC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000128322687 333658682 /nfs/dbraw/zinc/65/86/82/333658682.db2.gz UVNKLDXFYFCIBT-HNNXBMFYSA-N 0 0 293.407 3.712 10 0 CHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cccs1 ZINC000128891313 333723755 /nfs/dbraw/zinc/72/37/55/333723755.db2.gz YJRBEPOAGLFVRQ-LBPRGKRZSA-N 0 0 299.317 3.652 10 0 CHAERN C[C@H](NC(=O)NC(C)(C)C)c1ccc(F)c(Cl)c1 ZINC000128951040 333730005 /nfs/dbraw/zinc/73/00/05/333730005.db2.gz SLTURVDEAIIGCM-QMMMGPOBSA-N 0 0 272.751 3.638 10 0 CHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2cccc(F)c2)o1 ZINC000068859847 333735857 /nfs/dbraw/zinc/73/58/57/333735857.db2.gz KIGMCEOUSLLOFS-WCQYABFASA-N 0 0 289.350 3.783 10 0 CHAERN COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000069723328 333785727 /nfs/dbraw/zinc/78/57/27/333785727.db2.gz JAXQXPNGZNSAEW-JTQLQIEISA-N 0 0 293.750 3.741 10 0 CHAERN C[C@H](N[C@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000131224207 333910714 /nfs/dbraw/zinc/91/07/14/333910714.db2.gz QSZBMYOXDUIQLK-YUMQZZPRSA-N 0 0 278.154 3.572 10 0 CHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000073434251 333972557 /nfs/dbraw/zinc/97/25/57/333972557.db2.gz PUWZZCGSBSSCKV-CHWSQXEVSA-N 0 0 285.309 3.846 10 0 CHAERN CC1(C)CCCN1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000077512885 334107129 /nfs/dbraw/zinc/10/71/29/334107129.db2.gz JBBYPLOQPPVCAC-MNOVXSKESA-N 0 0 292.345 3.692 10 0 CHAERN CC(C)c1cc(Br)ccc1OCC(C)(C)O ZINC000136434004 334154872 /nfs/dbraw/zinc/15/48/72/334154872.db2.gz YNOBIAPTTFPRRV-UHFFFAOYSA-N 0 0 287.197 3.722 10 0 CHAERN CC[C@@H]1CC[C@@H](Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000080428876 334171450 /nfs/dbraw/zinc/17/14/50/334171450.db2.gz HYMVFNWPOSZZKN-CRAIPNDOSA-N 0 0 288.435 3.509 10 0 CHAERN C[C@@H](CCC(=O)N[C@@H]1COc2ccccc21)c1ccccc1 ZINC000138452625 334215058 /nfs/dbraw/zinc/21/50/58/334215058.db2.gz SOIBALZMYAXKHU-WMLDXEAASA-N 0 0 295.382 3.820 10 0 CHAERN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1C[C@@H]1C ZINC000245908837 334223748 /nfs/dbraw/zinc/22/37/48/334223748.db2.gz IONWUWOOLAIDII-IGJMFERPSA-N 0 0 286.202 3.697 10 0 CHAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000246063238 334229143 /nfs/dbraw/zinc/22/91/43/334229143.db2.gz ZHWSZFDBXQEWJA-KBNOKHGBSA-N 0 0 293.357 3.763 10 0 CHAERN CC(C)C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246332589 334251432 /nfs/dbraw/zinc/25/14/32/334251432.db2.gz LNQJLUBVRXNWBC-DRZSPHRISA-N 0 0 281.346 3.619 10 0 CHAERN CC[C@H](C)OCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246397137 334256002 /nfs/dbraw/zinc/25/60/02/334256002.db2.gz XDEIYMIKAKLQGC-WWGRRREGSA-N 0 0 275.392 3.556 10 0 CHAERN C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000246886469 334271431 /nfs/dbraw/zinc/27/14/31/334271431.db2.gz JEHCENJIOUAOSZ-INMHGKMJSA-N 0 0 289.419 3.534 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)CCC[C@H]2C)o1 ZINC000247392792 334280070 /nfs/dbraw/zinc/28/00/70/334280070.db2.gz GVEKIYLHRUXCOW-BZPMIXESSA-N 0 0 278.396 3.869 10 0 CHAERN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)[C@@H]1C ZINC000247530454 334284536 /nfs/dbraw/zinc/28/45/36/334284536.db2.gz XEGRIPJVXLBNBU-MHDGFBEUSA-N 0 0 293.357 3.715 10 0 CHAERN C[C@@H]1CCC[C@H](C)[C@H]1Nc1cccc(Cn2cncn2)c1 ZINC000252450735 334380615 /nfs/dbraw/zinc/38/06/15/334380615.db2.gz SHIOSUNPNBEFNC-HALDLXJZSA-N 0 0 284.407 3.563 10 0 CHAERN CCC[C@H](C)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000252733971 334388016 /nfs/dbraw/zinc/38/80/16/334388016.db2.gz XQLCAMGLBHVFHJ-RBOXIYTFSA-N 0 0 283.362 3.509 10 0 CHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C1CC1)C1CC1 ZINC000163230344 334692456 /nfs/dbraw/zinc/69/24/56/334692456.db2.gz XYAKQOIKOJWKJJ-VXGBXAGGSA-N 0 0 289.341 3.660 10 0 CHAERN COC[C@H](C)C(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000157646391 334779101 /nfs/dbraw/zinc/77/91/01/334779101.db2.gz DXOJFUCLHFXVKX-QMMMGPOBSA-N 0 0 276.163 3.523 10 0 CHAERN Cc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)c(C)o1 ZINC000157851524 334786038 /nfs/dbraw/zinc/78/60/38/334786038.db2.gz OLINXLLNNKAGGH-INIZCTEOSA-N 0 0 287.334 3.843 10 0 CHAERN Cc1c2nc(NCc3cccn3C)sc2ccc1F ZINC000181864740 335789131 /nfs/dbraw/zinc/78/91/31/335789131.db2.gz NGSVYKRLNVQLHG-UHFFFAOYSA-N 0 0 275.352 3.694 10 0 CHAERN C[C@@H](Nc1nccc2occc21)c1cccc(O)c1 ZINC000360987043 335839247 /nfs/dbraw/zinc/83/92/47/335839247.db2.gz NBKAJHAHNNEJEN-SNVBAGLBSA-N 0 0 254.289 3.707 10 0 CHAERN Cn1c(COc2ccc(Cl)cc2Cl)nnc1C1CC1 ZINC000194655366 336036162 /nfs/dbraw/zinc/03/61/62/336036162.db2.gz ANJHVPYYXPIOCP-UHFFFAOYSA-N 0 0 298.173 3.578 10 0 CHAERN CC(C)c1nnc(CSCC2CCCCC2)n1C ZINC000194700468 336037696 /nfs/dbraw/zinc/03/76/96/336037696.db2.gz KAKQBEBZWDJXIP-UHFFFAOYSA-N 0 0 267.442 3.752 10 0 CHAERN CCc1nnc(CSCc2ccc(C(C)C)cc2)n1C ZINC000195203060 336049311 /nfs/dbraw/zinc/04/93/11/336049311.db2.gz AOMIKEQRTOJNOF-UHFFFAOYSA-N 0 0 289.448 3.934 10 0 CHAERN CC(=O)c1sc(Cc2cc(F)cc(F)c2)nc1C ZINC000049349627 518496237 /nfs/dbraw/zinc/49/62/37/518496237.db2.gz JTONRINUKOUIBB-UHFFFAOYSA-N 0 0 267.300 3.523 10 0 CHAERN CCCCC[N@H+](C(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062754824 520149143 /nfs/dbraw/zinc/14/91/43/520149143.db2.gz JTERBHJFUPBFIX-QLFBSQMISA-N 0 0 269.429 3.776 10 0 CHAERN CCNc1ncccc1COCc1ccccc1Cl ZINC000052754850 520378626 /nfs/dbraw/zinc/37/86/26/520378626.db2.gz ZKIUBPQTRVTFRZ-UHFFFAOYSA-N 0 0 276.767 3.884 10 0 CHAERN CCc1nc(N(C)[C@@H]2CCC[C@H](C)C2)sc1C=O ZINC000054967585 522381479 /nfs/dbraw/zinc/38/14/79/522381479.db2.gz RKVLXRUXDVSMDX-WDEREUQCSA-N 0 0 266.410 3.533 10 0 CHAERN COc1cc(Cl)c(C)cc1Nc1ncc(N)cc1C ZINC000052812412 522519981 /nfs/dbraw/zinc/51/99/81/522519981.db2.gz LYGATUQNJGHBMA-UHFFFAOYSA-N 0 0 277.755 3.686 10 0 CHAERN CC(C)(C)CCSc1nc2sccc2c(N)n1 ZINC000054710944 518657902 /nfs/dbraw/zinc/65/79/02/518657902.db2.gz ZEDZKLWNFORXRC-UHFFFAOYSA-N 0 0 267.423 3.802 10 0 CHAERN Cc1ccnc(-c2noc(C=C3CCC(C)(C)CC3)n2)n1 ZINC000332995418 534376618 /nfs/dbraw/zinc/37/66/18/534376618.db2.gz AAFXKMWJCNOGIR-UHFFFAOYSA-N 0 0 284.363 3.819 10 0 CHAERN CC(C)(C)c1ccc(Oc2cccc(CO)n2)cc1 ZINC000051042693 519041822 /nfs/dbraw/zinc/04/18/22/519041822.db2.gz XSOBPGVXEYZZQV-UHFFFAOYSA-N 0 0 257.333 3.664 10 0 CHAERN CC(C)(C)c1nc(Br)sc1Br ZINC000072192947 519091409 /nfs/dbraw/zinc/09/14/09/519091409.db2.gz WAMCVRUDIRVEAY-UHFFFAOYSA-N 0 0 299.031 3.966 10 0 CHAERN CC(C)(C)c1ncc(CN[C@@H]2COc3ccccc32)s1 ZINC000070070099 519114222 /nfs/dbraw/zinc/11/42/22/519114222.db2.gz WUYIAGQJWCWCLA-CYBMUJFWSA-N 0 0 288.416 3.664 10 0 CHAERN CC(C)C[C@H](C)N(C)C(=O)c1ccc(Cl)cc1O ZINC000055482303 519310925 /nfs/dbraw/zinc/31/09/25/519310925.db2.gz OVUJUSWFJVWUQH-JTQLQIEISA-N 0 0 269.772 3.552 10 0 CHAERN CC(C)=C(F)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000153149506 519391213 /nfs/dbraw/zinc/39/12/13/519391213.db2.gz XMEIJVKKLPYDCG-UHFFFAOYSA-N 0 0 260.268 3.544 10 0 CHAERN CC(C)C/C(=C\c1sc(N(C)C)nc1Cl)[N+](=O)[O-] ZINC000054929748 519547855 /nfs/dbraw/zinc/54/78/55/519547855.db2.gz WOIREBWPQIDLSN-SOFGYWHQSA-N 0 0 289.788 3.526 10 0 CHAERN CC(C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000163241781 519772843 /nfs/dbraw/zinc/77/28/43/519772843.db2.gz DFUOYTMCZOXEIJ-CHWSQXEVSA-N 0 0 264.369 3.561 10 0 CHAERN CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)C(C)C)c1 ZINC000121489429 519782748 /nfs/dbraw/zinc/78/27/48/519782748.db2.gz DXTJRBIZIHHGTK-CQSZACIVSA-N 0 0 292.423 3.660 10 0 CHAERN CC(C)Oc1cccc(CC[C@@H](O)C(C)(C)C)c1 ZINC000062164827 519782815 /nfs/dbraw/zinc/78/28/15/519782815.db2.gz VZCJJYKBFZJOSQ-OAHLLOKOSA-N 0 0 250.382 3.813 10 0 CHAERN CCC1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000062755798 519853790 /nfs/dbraw/zinc/85/37/90/519853790.db2.gz TYNUPDOCSBMUNH-WUCCLRPBSA-N 0 0 267.413 3.530 10 0 CHAERN CCC1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000062755797 519853959 /nfs/dbraw/zinc/85/39/59/519853959.db2.gz TYNUPDOCSBMUNH-PFSRBDOWSA-N 0 0 267.413 3.530 10 0 CHAERN CCC1CCC(NC(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000110200573 519856247 /nfs/dbraw/zinc/85/62/47/519856247.db2.gz HTNSYQZIUSMKHY-UHFFFAOYSA-N 0 0 273.376 3.588 10 0 CHAERN CC(C)c1nc([C@@H]2CCCN2Cc2ccsc2)no1 ZINC000127879202 519867419 /nfs/dbraw/zinc/86/74/19/519867419.db2.gz ZSBMKDNDUSVEGB-LBPRGKRZSA-N 0 0 277.393 3.592 10 0 CHAERN CCCNC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151245257 519886551 /nfs/dbraw/zinc/88/65/51/519886551.db2.gz SKKZZXBNJMZFCE-AWEZNQCLSA-N 0 0 288.391 3.532 10 0 CHAERN CCCCCCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000109053520 519951764 /nfs/dbraw/zinc/95/17/64/519951764.db2.gz RZUHQQFUWUZKHD-CYBMUJFWSA-N 0 0 280.437 3.820 10 0 CHAERN CCN(C(=O)[C@@H](C)COC)[C@@H](C)c1cc2ccccc2o1 ZINC000103385354 520009346 /nfs/dbraw/zinc/00/93/46/520009346.db2.gz KMDFACXFFFUTGZ-STQMWFEESA-N 0 0 289.375 3.625 10 0 CHAERN CC[N@H+](C(C)C)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000062751308 520137954 /nfs/dbraw/zinc/13/79/54/520137954.db2.gz BWGBTIVMWGWJBS-RDBSUJKOSA-N 0 0 269.429 3.632 10 0 CHAERN CCCCCN(c1cc(C)nc(Cl)n1)C(C)C ZINC000052814770 520177304 /nfs/dbraw/zinc/17/73/04/520177304.db2.gz XZUYFDJMHNDGHB-UHFFFAOYSA-N 0 0 255.793 3.843 10 0 CHAERN CCCNc1nc2ccccc2cc1COC(C)C ZINC000050831836 520189801 /nfs/dbraw/zinc/18/98/01/520189801.db2.gz GTITYUBQRZAXMB-UHFFFAOYSA-N 0 0 258.365 3.982 10 0 CHAERN CCNc1cc(CC)nc(-c2cccc(C)c2C)n1 ZINC000050865203 520269034 /nfs/dbraw/zinc/26/90/34/520269034.db2.gz MFKNYLWCSNLESW-UHFFFAOYSA-N 0 0 255.365 3.755 10 0 CHAERN CCNc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000050746558 520286687 /nfs/dbraw/zinc/28/66/87/520286687.db2.gz DOHHSTVCFXDICH-UHFFFAOYSA-N 0 0 260.381 3.571 10 0 CHAERN CCCOc1ccc(Nc2ncc(N)cc2C)cc1 ZINC000052813558 520403932 /nfs/dbraw/zinc/40/39/32/520403932.db2.gz HIDVPDPZGVPFNT-UHFFFAOYSA-N 0 0 257.337 3.505 10 0 CHAERN Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccncc3)no2)cc1F ZINC000113738279 534489781 /nfs/dbraw/zinc/48/97/81/534489781.db2.gz VWTDHRBBSJPVKX-RYUDHWBXSA-N 0 0 299.280 3.681 10 0 CHAERN CCN(CC(C)C)c1nc(C(C)(C)C)c(C=O)s1 ZINC000054967210 520414851 /nfs/dbraw/zinc/41/48/51/520414851.db2.gz NIWJZBNEFQUFDC-UHFFFAOYSA-N 0 0 268.426 3.735 10 0 CHAERN CCCOc1cccc(C(=O)c2ccc(F)cc2)c1 ZINC000061667421 520447059 /nfs/dbraw/zinc/44/70/59/520447059.db2.gz QDRXEIPPZXTHON-UHFFFAOYSA-N 0 0 258.292 3.846 10 0 CHAERN CC1(C)Cc2nc(C3CCCC3)sc2[C@@H](O)C1 ZINC000050335728 520586049 /nfs/dbraw/zinc/58/60/49/520586049.db2.gz WRLHYXKDKPNWOE-NSHDSACASA-N 0 0 251.395 3.807 10 0 CHAERN CCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000115366734 520604386 /nfs/dbraw/zinc/60/43/86/520604386.db2.gz YVOISLMQNLVCGV-VXGBXAGGSA-N 0 0 266.410 3.633 10 0 CHAERN CCCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127848219 520812199 /nfs/dbraw/zinc/81/21/99/520812199.db2.gz IYEAVWJSXGNRNC-GJZGRUSLSA-N 0 0 293.407 3.847 10 0 CHAERN CCOc1ccc(C)cc1[C@@H](O)c1ccc(C)s1 ZINC000051600229 520928203 /nfs/dbraw/zinc/92/82/03/520928203.db2.gz VHNUEMIFPYIXQT-OAHLLOKOSA-N 0 0 262.374 3.845 10 0 CHAERN CCC[C@H](CC)Nc1ccc(Cl)cc1C(N)=S ZINC000052859112 521084620 /nfs/dbraw/zinc/08/46/20/521084620.db2.gz CPVKEXBKOUPKQI-JTQLQIEISA-N 0 0 270.829 3.965 10 0 CHAERN CCCC[C@H](C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000050886648 521147505 /nfs/dbraw/zinc/14/75/05/521147505.db2.gz NJEYCGZQNXKXDP-QMMMGPOBSA-N 0 0 289.206 3.884 10 0 CHAERN CCCCc1nc(Cl)c(CN[C@@H](C)c2cccnc2)[nH]1 ZINC000088398764 521301397 /nfs/dbraw/zinc/30/13/97/521301397.db2.gz FHYXHEPFPMVYGA-NSHDSACASA-N 0 0 292.814 3.652 10 0 CHAERN CCOc1cccc(-c2nc3c(c(Cl)n2)CCC3)c1 ZINC000048770435 521311581 /nfs/dbraw/zinc/31/15/81/521311581.db2.gz GSTFLPKIJYSGJZ-UHFFFAOYSA-N 0 0 274.751 3.684 10 0 CHAERN CCN(Cc1ccccc1C)c1cccc(N)c1C ZINC000062724749 521379795 /nfs/dbraw/zinc/37/97/95/521379795.db2.gz ZDZLBKWXTAQOHQ-UHFFFAOYSA-N 0 0 254.377 3.912 10 0 CHAERN CCN(Cc1cccs1)c1c(N)ccc(F)c1F ZINC000053166086 521410347 /nfs/dbraw/zinc/41/03/47/521410347.db2.gz KLCQRYHJUDMCHB-UHFFFAOYSA-N 0 0 268.332 3.635 10 0 CHAERN CCOc1ccccc1C(=O)c1ccccc1Cl ZINC000055240153 521463453 /nfs/dbraw/zinc/46/34/53/521463453.db2.gz NBVYXHDOQWKVND-UHFFFAOYSA-N 0 0 260.720 3.970 10 0 CHAERN CCOC(=O)c1ccc(N[C@H](C)c2ccccc2C)nc1 ZINC000042340002 521521480 /nfs/dbraw/zinc/52/14/80/521521480.db2.gz BOAJCGDEKWUDBG-CYBMUJFWSA-N 0 0 284.359 3.740 10 0 CHAERN CCOCCCC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000128433754 521692538 /nfs/dbraw/zinc/69/25/38/521692538.db2.gz RBJUWECFSBBPPG-OAHLLOKOSA-N 0 0 293.407 3.712 10 0 CHAERN CCCN(c1cccc(Cl)c1C(N)=S)C(C)C ZINC000052904623 521697692 /nfs/dbraw/zinc/69/76/92/521697692.db2.gz VLBFGQRTZGRNQK-UHFFFAOYSA-N 0 0 270.829 3.599 10 0 CHAERN CCS[C@@H]1CC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000229734000 521726917 /nfs/dbraw/zinc/72/69/17/521726917.db2.gz ARSNLBSSNZOQNH-MWLCHTKSSA-N 0 0 256.802 3.821 10 0 CHAERN CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000152587456 521748707 /nfs/dbraw/zinc/74/87/07/521748707.db2.gz JFDUGZQOKSKTKW-JOYOIKCWSA-N 0 0 299.823 3.958 10 0 CHAERN CNC(=O)c1ccc(C)c(N[C@@H](C)c2ccc(C)s2)c1 ZINC000037086615 521803623 /nfs/dbraw/zinc/80/36/23/521803623.db2.gz ZLBPUUAYQHFYEG-LBPRGKRZSA-N 0 0 288.416 3.898 10 0 CHAERN CCc1n[nH]c(=S)n1[C@H](C)c1cccc(Cl)c1 ZINC000049526347 522131967 /nfs/dbraw/zinc/13/19/67/522131967.db2.gz JUWAQIRDPMHRKK-MRVPVSSYSA-N 0 0 267.785 3.766 10 0 CHAERN COc1cc(C=O)cc(Cl)c1OCCC(C)(C)C ZINC000049254776 522310139 /nfs/dbraw/zinc/31/01/39/522310139.db2.gz OTLHHBZGYNJXFI-UHFFFAOYSA-N 0 0 270.756 3.976 10 0 CHAERN CCc1nc2c(cc(C)c(Br)c2C)o1 ZINC000062536936 522468384 /nfs/dbraw/zinc/46/83/84/522468384.db2.gz BPWZMWXPHHBFCW-UHFFFAOYSA-N 0 0 254.127 3.770 10 0 CHAERN CNc1c2cc(F)c(F)c(F)c2nc2c1CCCC2 ZINC000050870706 522546865 /nfs/dbraw/zinc/54/68/65/522546865.db2.gz WRWSEOVJGCYLPA-UHFFFAOYSA-N 0 0 266.266 3.573 10 0 CHAERN CNc1cc(C(F)(F)F)nc2c(C)cc(C)cc12 ZINC000050869059 522561948 /nfs/dbraw/zinc/56/19/48/522561948.db2.gz DURKAMICNPSNKA-UHFFFAOYSA-N 0 0 254.255 3.912 10 0 CHAERN CNc1cc(C(F)F)nc2c(OC)ccc(C)c12 ZINC000061629605 522564293 /nfs/dbraw/zinc/56/42/93/522564293.db2.gz WHRPJIDUXHRTRA-UHFFFAOYSA-N 0 0 252.264 3.531 10 0 CHAERN CNc1nc(-c2ccsc2)nc2sc3c(c21)CCC3 ZINC000050841785 522677223 /nfs/dbraw/zinc/67/72/23/522677223.db2.gz ZBFLKVTXMNNMGO-UHFFFAOYSA-N 0 0 287.413 3.950 10 0 CHAERN COc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1Cl ZINC000228047258 522762866 /nfs/dbraw/zinc/76/28/66/522762866.db2.gz MJYVMANAAZWGRK-HONMWMINSA-N 0 0 281.783 3.574 10 0 CHAERN CC[C@H](O)c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000054723661 522824308 /nfs/dbraw/zinc/82/43/08/522824308.db2.gz JREQKTXSJYMQMJ-AWEZNQCLSA-N 0 0 278.783 3.645 10 0 CHAERN COc1cc([C@@H](C)O)ccc1OCCC(C)(C)C ZINC000049255155 522911765 /nfs/dbraw/zinc/91/17/65/522911765.db2.gz WXYBKKKYGKICAQ-LLVKDONJSA-N 0 0 252.354 3.564 10 0 CHAERN CC[C@@H](Nc1nc(OC)ncc1Cl)c1cccs1 ZINC000157784587 522966966 /nfs/dbraw/zinc/96/69/66/522966966.db2.gz QJSQQYRUXZPPDE-SECBINFHSA-N 0 0 283.784 3.763 10 0 CHAERN CCc1sc([C@@H](C)Nc2cn[nH]c(=O)c2Cl)cc1C ZINC000157778900 523076022 /nfs/dbraw/zinc/07/60/22/523076022.db2.gz IPLYWMXSHKOALL-MRVPVSSYSA-N 0 0 297.811 3.529 10 0 CHAERN CCc1sc([C@@H](C)Nc2nnc(C)s2)cc1C ZINC000301766920 523079906 /nfs/dbraw/zinc/07/99/06/523079906.db2.gz HUYDATDZILVBKR-MRVPVSSYSA-N 0 0 267.423 3.952 10 0 CHAERN CCn1c(-c2sc(N)nc2C)nc2cccc(Cl)c21 ZINC000055170334 523089388 /nfs/dbraw/zinc/08/93/88/523089388.db2.gz YNXAROLTZGAHLS-UHFFFAOYSA-N 0 0 292.795 3.724 10 0 CHAERN CC[C@H]1CC[C@@H](C(=O)[O-])[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000062753599 523181750 /nfs/dbraw/zinc/18/17/50/523181750.db2.gz WCPSOKBKAQYGSL-IGQOVBAYSA-N 0 0 269.429 3.632 10 0 CHAERN CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2NC)C1 ZINC000050755730 523242207 /nfs/dbraw/zinc/24/22/07/523242207.db2.gz CTSRCNLHSIIJTH-LLVKDONJSA-N 0 0 280.799 3.644 10 0 CHAERN COc1ccc(Br)cc1CC1(O)CCCCC1 ZINC000049597555 523493983 /nfs/dbraw/zinc/49/39/83/523493983.db2.gz QOOPFRZYQKZZBQ-UHFFFAOYSA-N 0 0 299.208 3.695 10 0 CHAERN CCc1cc(Cl)nc(-c2ccc3ncccc3c2)n1 ZINC000062801664 523787971 /nfs/dbraw/zinc/78/79/71/523787971.db2.gz PHJGZWOYWCLVLT-UHFFFAOYSA-N 0 0 269.735 3.908 10 0 CHAERN CCc1ccc(C[C@H](O)c2cccc(F)c2)s1 ZINC000053781899 523951248 /nfs/dbraw/zinc/95/12/48/523951248.db2.gz CKMLPTPKGXAFJF-AWEZNQCLSA-N 0 0 250.338 3.726 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)CSC)o1 ZINC000128268895 524035265 /nfs/dbraw/zinc/03/52/65/524035265.db2.gz AIHYCGHVERUZGV-OCCSQVGLSA-N 0 0 295.448 3.895 10 0 CHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2)o1 ZINC000128606221 524035525 /nfs/dbraw/zinc/03/55/25/524035525.db2.gz IXZSXXAHUXJWQV-AWEZNQCLSA-N 0 0 273.332 3.802 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)CCSC)o1 ZINC000128353767 524053075 /nfs/dbraw/zinc/05/30/75/524053075.db2.gz ACKKKRJDOLFTOG-CYBMUJFWSA-N 0 0 281.421 3.649 10 0 CHAERN CCc1ccc([C@H]2CCCCN2C(=O)C2CCC2)o1 ZINC000128483650 524053342 /nfs/dbraw/zinc/05/33/42/524053342.db2.gz QHDBCFBZAIYHTC-CQSZACIVSA-N 0 0 261.365 3.696 10 0 CHAERN C[C@H]1CCCN(c2nc3c(s2)C(=O)CC(C)(C)C3)C1 ZINC000054861535 524106029 /nfs/dbraw/zinc/10/60/29/524106029.db2.gz PNCCSCHRZKQDPO-JTQLQIEISA-N 0 0 278.421 3.535 10 0 CHAERN Cc1ccc(CC(=O)N[C@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000125120416 524273876 /nfs/dbraw/zinc/27/38/76/524273876.db2.gz JLMIYGUAMIVSKQ-UGSOOPFHSA-N 0 0 294.398 3.687 10 0 CHAERN COc1ccc(F)c(N[C@@H](C)c2csc(C)n2)c1 ZINC000094854191 524294111 /nfs/dbraw/zinc/29/41/11/524294111.db2.gz WATCZRUKRHUAJC-QMMMGPOBSA-N 0 0 266.341 3.772 10 0 CHAERN C[C@@H]1CCC[C@](O)(c2ccccc2OC(F)(F)F)C1 ZINC000055189799 524431855 /nfs/dbraw/zinc/43/18/55/524431855.db2.gz GSZKTGCQKLPTCA-ZWNOBZJWSA-N 0 0 274.282 3.983 10 0 CHAERN Cc1cccc(C[S@](=O)Cc2ccc(Cl)cc2N)c1 ZINC000054966132 524472361 /nfs/dbraw/zinc/47/23/61/524472361.db2.gz ILMUARGZXZGJOV-LJQANCHMSA-N 0 0 293.819 3.680 10 0 CHAERN C[C@@H]1CC[C@H](NC(=O)CC(F)(F)F)c2ccccc21 ZINC000125276583 524688571 /nfs/dbraw/zinc/68/85/71/524688571.db2.gz BFUHUAHRLRRXQT-SKDRFNHKSA-N 0 0 271.282 3.694 10 0 CHAERN Cc1cc(CN[C@@H](C)c2ccccc2Br)no1 ZINC000044296254 524766404 /nfs/dbraw/zinc/76/64/04/524766404.db2.gz LRUMYSUUFZABKH-JTQLQIEISA-N 0 0 295.180 3.596 10 0 CHAERN Cc1cc(Cl)cc(C)c1OCc1ccc(N)nc1 ZINC000050830570 524859900 /nfs/dbraw/zinc/85/99/00/524859900.db2.gz HEWIROAPHULWIA-UHFFFAOYSA-N 0 0 262.740 3.513 10 0 CHAERN Cc1ccc(N(C)c2cc(Cl)nc(C)n2)c(C)c1 ZINC000052837399 524890932 /nfs/dbraw/zinc/89/09/32/524890932.db2.gz SGCNDIGPKZRUQQ-UHFFFAOYSA-N 0 0 261.756 3.823 10 0 CHAERN Cc1cc(Cl)cnc1NC(=O)N1CC2(C1)CCCCC2 ZINC000291471752 524912544 /nfs/dbraw/zinc/91/25/44/524912544.db2.gz KMLLOMDNWGXILA-UHFFFAOYSA-N 0 0 293.798 3.841 10 0 CHAERN Cc1ccc(N2CC[C@@H](c3ccccc3)C2)cc1N ZINC000061701946 524972554 /nfs/dbraw/zinc/97/25/54/524972554.db2.gz UUJLZHCLRYUXJF-OAHLLOKOSA-N 0 0 252.361 3.571 10 0 CHAERN C[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(F)c(Cl)c1 ZINC000087176439 524981449 /nfs/dbraw/zinc/98/14/49/524981449.db2.gz CLWHPIALZQJRHV-JQWIXIFHSA-N 0 0 299.773 3.616 10 0 CHAERN C[C@H](NC(=O)N(C)CC1CC1)c1ccc2ccccc2c1 ZINC000079857732 525001067 /nfs/dbraw/zinc/00/10/67/525001067.db2.gz AVQZYGAHMGMLCN-ZDUSSCGKSA-N 0 0 282.387 3.952 10 0 CHAERN Cc1cc(F)ccc1[C@@H](N)c1nc(C(C)C)cs1 ZINC000050580366 525005531 /nfs/dbraw/zinc/00/55/31/525005531.db2.gz DWWCKYIUHBLTQB-CYBMUJFWSA-N 0 0 264.369 3.762 10 0 CHAERN Cc1cc(F)ccc1[C@H](N)c1cc2ccccc2o1 ZINC000062797523 525008240 /nfs/dbraw/zinc/00/82/40/525008240.db2.gz NLVXXUOPKPVDTE-INIZCTEOSA-N 0 0 255.292 3.928 10 0 CHAERN C[C@H]1OCCC[C@@H]1C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000187848247 525014340 /nfs/dbraw/zinc/01/43/40/525014340.db2.gz CXOKDKQLXRTBMC-RISCZKNCSA-N 0 0 295.810 3.506 10 0 CHAERN Cc1cc(N)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000050866341 525041046 /nfs/dbraw/zinc/04/10/46/525041046.db2.gz JPMXSFZPPYKMFK-UHFFFAOYSA-N 0 0 261.328 3.701 10 0 CHAERN Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)ncc1Br ZINC000301850776 525098063 /nfs/dbraw/zinc/09/80/63/525098063.db2.gz WSZDRTVRLKSWIK-RYUDHWBXSA-N 0 0 293.208 3.555 10 0 CHAERN COc1ccc([C@@H](C)Nc2ccc(Cl)cn2)cc1OC ZINC000040491196 525164666 /nfs/dbraw/zinc/16/46/66/525164666.db2.gz WSOMDCHCNADOQZ-SNVBAGLBSA-N 0 0 292.766 3.925 10 0 CHAERN COc1ccc([C@@H](O)c2cccc(F)c2F)cc1Cl ZINC000054213422 525211451 /nfs/dbraw/zinc/21/14/51/525211451.db2.gz IPRSRUWCHWTVRL-CQSZACIVSA-N 0 0 284.689 3.709 10 0 CHAERN Cc1ccc(NC[C@H]2CCCO2)cc1C(F)(F)F ZINC000052684750 525282003 /nfs/dbraw/zinc/28/20/03/525282003.db2.gz AJJLILWZBGOVFR-LLVKDONJSA-N 0 0 259.271 3.605 10 0 CHAERN Cc1cc(N[C@@H](C)c2cccc(F)c2)nc(Cl)n1 ZINC000052814663 525293153 /nfs/dbraw/zinc/29/31/53/525293153.db2.gz XHNVDECHJDDXCA-VIFPVBQESA-N 0 0 265.719 3.751 10 0 CHAERN Cc1cc(Nc2cccc3ncccc32)nc(Cl)n1 ZINC000052814113 525307292 /nfs/dbraw/zinc/30/72/92/525307292.db2.gz CCYLYJPFBZJCGI-UHFFFAOYSA-N 0 0 270.723 3.730 10 0 CHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCc2cccnc21 ZINC000193852769 525411948 /nfs/dbraw/zinc/41/19/48/525411948.db2.gz QAUWRUVDXIIZEE-YOEHRIQHSA-N 0 0 294.398 3.687 10 0 CHAERN Cc1ccc(OCCNc2ccc(F)cc2)c(C)c1 ZINC000053564555 525423647 /nfs/dbraw/zinc/42/36/47/525423647.db2.gz RNYIMQIWKUOTJZ-UHFFFAOYSA-N 0 0 259.324 3.933 10 0 CHAERN Cc1cc([C@H](O)Cc2cc(F)cc(F)c2)ccc1F ZINC000055203021 525537200 /nfs/dbraw/zinc/53/72/00/525537200.db2.gz KTEIYVAISAJYSK-OAHLLOKOSA-N 0 0 266.262 3.688 10 0 CHAERN Cc1cccnc1[C@H](O)c1cccc(Cl)c1Cl ZINC000055203572 525555153 /nfs/dbraw/zinc/55/51/53/525555153.db2.gz VTYWFSKEUNKXAT-CYBMUJFWSA-N 0 0 268.143 3.779 10 0 CHAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccncc1 ZINC000156597568 525599108 /nfs/dbraw/zinc/59/91/08/525599108.db2.gz WUMCPUAGAYJSLO-HNAYVOBHSA-N 0 0 289.382 3.917 10 0 CHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1cnn(C)c1 ZINC000044494504 525702583 /nfs/dbraw/zinc/70/25/83/525702583.db2.gz PBYZMMKCMCYHBW-SECBINFHSA-N 0 0 269.270 3.612 10 0 CHAERN Cc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)o1 ZINC000036960085 525750399 /nfs/dbraw/zinc/75/03/99/525750399.db2.gz GRPXSKLBZQJRRQ-OCCSQVGLSA-N 0 0 257.333 3.762 10 0 CHAERN C[C@@](N)(c1nc2cc(Cl)ccc2o1)c1ccccc1 ZINC000052879502 525751472 /nfs/dbraw/zinc/75/14/72/525751472.db2.gz CWQDMNDARBINFB-HNNXBMFYSA-N 0 0 272.735 3.703 10 0 CHAERN Cc1ccc([C@@H](C)Nc2nc(Cl)nc(Cl)n2)cc1 ZINC000061518742 525753646 /nfs/dbraw/zinc/75/36/46/525753646.db2.gz YLLJKOGEFLWXEK-MRVPVSSYSA-N 0 0 283.162 3.660 10 0 CHAERN C[C@@H](O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000062771176 525845708 /nfs/dbraw/zinc/84/57/08/525845708.db2.gz FYMBEAZLMMUWBC-SECBINFHSA-N 0 0 270.250 3.889 10 0 CHAERN C[C@@H](O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000061694923 525869325 /nfs/dbraw/zinc/86/93/25/525869325.db2.gz JYFJEOPBMGLUMN-GRYCIOLGSA-N 0 0 267.800 3.876 10 0 CHAERN C[C@@H](O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000061694925 525869783 /nfs/dbraw/zinc/86/97/83/525869783.db2.gz JYFJEOPBMGLUMN-IJLUTSLNSA-N 0 0 267.800 3.876 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)CCc2c[nH]c3ccccc23)o1 ZINC000069722611 525887776 /nfs/dbraw/zinc/88/77/76/525887776.db2.gz QMZOOFQTHCBLMC-ZDUSSCGKSA-N 0 0 296.370 3.879 10 0 CHAERN Cc1ccc([C@H](C)NC(=O)Cc2cccc(Cl)c2)o1 ZINC000067906798 525891691 /nfs/dbraw/zinc/89/16/91/525891691.db2.gz QGIMNCDGBDOMKF-NSHDSACASA-N 0 0 277.751 3.661 10 0 CHAERN Cc1ccc([C@H](C)NCc2cc(F)c(F)c(F)c2)o1 ZINC000062706465 525928132 /nfs/dbraw/zinc/92/81/32/525928132.db2.gz BPCRIBSAKFVGRV-VIFPVBQESA-N 0 0 269.266 3.856 10 0 CHAERN Cc1ccc([C@H](C)NCc2nc(C)c(C)s2)o1 ZINC000094965570 525930630 /nfs/dbraw/zinc/93/06/30/525930630.db2.gz JSSBCPBPKTVFEA-JTQLQIEISA-N 0 0 250.367 3.512 10 0 CHAERN Cc1ccc([C@H](C)Nc2cccc(Cn3cncn3)c2)s1 ZINC000037785150 525947278 /nfs/dbraw/zinc/94/72/78/525947278.db2.gz MAFQZKKLDYZGOH-ZDUSSCGKSA-N 0 0 298.415 3.869 10 0 CHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccsc2)o1 ZINC000127694584 525991606 /nfs/dbraw/zinc/99/16/06/525991606.db2.gz YDYHCRIZDMMVTR-CQSZACIVSA-N 0 0 289.400 3.946 10 0 CHAERN C[C@H](c1ccc(Br)cc1)N1CCCCC1=O ZINC000049525449 526041152 /nfs/dbraw/zinc/04/11/52/526041152.db2.gz URPPXBSMDVZWDS-SNVBAGLBSA-N 0 0 282.181 3.523 10 0 CHAERN C[C@H](c1cccs1)N(C)c1ccc(C=O)cc1F ZINC000049727458 526155316 /nfs/dbraw/zinc/15/53/16/526155316.db2.gz QVYSSDJEPVIRCS-SNVBAGLBSA-N 0 0 263.337 3.897 10 0 CHAERN COc1cccc(Nc2ccc(C(N)=S)c(Cl)c2)c1 ZINC000061849086 526211917 /nfs/dbraw/zinc/21/19/17/526211917.db2.gz SPQRVIPTVISING-UHFFFAOYSA-N 0 0 292.791 3.726 10 0 CHAERN CC(=O)c1ccccc1N1CCCc2ccccc21 ZINC000019871138 534916945 /nfs/dbraw/zinc/91/69/45/534916945.db2.gz CQVBYFRMTXWPII-UHFFFAOYSA-N 0 0 251.329 3.974 10 0 CHAERN C[C@H]1CCCC[C@]1(O)Cc1c(F)cccc1Cl ZINC000049346187 526262963 /nfs/dbraw/zinc/26/29/63/526262963.db2.gz PWWOCSZPQDOCAS-HZMBPMFUSA-N 0 0 256.748 3.963 10 0 CHAERN O[C@H](Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000054446218 526296384 /nfs/dbraw/zinc/29/63/84/526296384.db2.gz LHYJDDAUEUQCFU-LLVKDONJSA-N 0 0 256.223 3.575 10 0 CHAERN O[C@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052900147 526298773 /nfs/dbraw/zinc/29/87/73/526298773.db2.gz VZDJILKHWPUBOT-LBPRGKRZSA-N 0 0 252.766 3.548 10 0 CHAERN Cc1nn([C@@H](c2ccccc2)C(C)C)c(N)c1Cl ZINC000063019938 526303042 /nfs/dbraw/zinc/30/30/42/526303042.db2.gz FZYQNDWXXQQJRR-CYBMUJFWSA-N 0 0 263.772 3.673 10 0 CHAERN Cc1csc(CN2CCCC[C@H]2c2nccs2)n1 ZINC000130136644 526343878 /nfs/dbraw/zinc/34/38/78/526343878.db2.gz KFGNNHYAVJZYML-NSHDSACASA-N 0 0 279.434 3.635 10 0 CHAERN O=C(CCCN1Cc2ccccc2C1)c1cccs1 ZINC000050911607 526433985 /nfs/dbraw/zinc/43/39/85/526433985.db2.gz JIVYLJCGAPIGNA-UHFFFAOYSA-N 0 0 271.385 3.727 10 0 CHAERN Cc1noc(C)c1[C@@H](C)Nc1cc(C)nc(C(C)C)n1 ZINC000078678650 526565717 /nfs/dbraw/zinc/56/57/17/526565717.db2.gz FLZQJPJQQMSGQW-SNVBAGLBSA-N 0 0 274.368 3.686 10 0 CHAERN O=C(c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062791774 526686060 /nfs/dbraw/zinc/68/60/60/526686060.db2.gz HYFXHBDCUVDJQL-UHFFFAOYSA-N 0 0 252.647 3.849 10 0 CHAERN Cc1sc2nc(CSC(C)(C)C)nc(N)c2c1C ZINC000049933581 526893797 /nfs/dbraw/zinc/89/37/97/526893797.db2.gz ODQHRPGHPZCXFD-UHFFFAOYSA-N 0 0 281.450 3.922 10 0 CHAERN Clc1cc(Cl)nc(CCc2ccccc2)n1 ZINC000058049324 526929146 /nfs/dbraw/zinc/92/91/46/526929146.db2.gz CIVGSRKXNRKXPC-UHFFFAOYSA-N 0 0 253.132 3.569 10 0 CHAERN Clc1nc(COCc2ccco2)nc2sccc21 ZINC000050840696 527003424 /nfs/dbraw/zinc/00/34/24/527003424.db2.gz KUEOMJCEMGDXOO-UHFFFAOYSA-N 0 0 280.736 3.655 10 0 CHAERN Clc1ncccc1COCCc1cccs1 ZINC000052726751 527010451 /nfs/dbraw/zinc/01/04/51/527010451.db2.gz YPHMMADJLKPITD-UHFFFAOYSA-N 0 0 253.754 3.556 10 0 CHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc[nH]1 ZINC000129955585 527016888 /nfs/dbraw/zinc/01/68/88/527016888.db2.gz WWTFAHQQZWRYQV-HNNXBMFYSA-N 0 0 296.370 3.581 10 0 CHAERN NC(=S)CCCCOc1ccc2ccccc2c1 ZINC000049582952 527107936 /nfs/dbraw/zinc/10/79/36/527107936.db2.gz SZMDTARELCHWCJ-UHFFFAOYSA-N 0 0 259.374 3.675 10 0 CHAERN Cc1nc[nH]c1CNc1ccc(SC(F)F)cc1 ZINC000054794679 527215540 /nfs/dbraw/zinc/21/55/40/527215540.db2.gz KSNVWUXNOIJCSU-UHFFFAOYSA-N 0 0 269.320 3.645 10 0 CHAERN Cc1ncc(CNc2nc3cc(F)ccc3s2)s1 ZINC000049534221 527282591 /nfs/dbraw/zinc/28/25/91/527282591.db2.gz RYTLUIOCRGHXHL-UHFFFAOYSA-N 0 0 279.365 3.812 10 0 CHAERN Nc1cc(Cl)ccc1NCc1ccc(F)c(F)c1 ZINC000049577291 527452510 /nfs/dbraw/zinc/45/25/10/527452510.db2.gz JDOCDOKMIAYZBB-UHFFFAOYSA-N 0 0 268.694 3.813 10 0 CHAERN Nc1ccc(Cl)c(COCc2ccccc2Cl)n1 ZINC000061640266 527486181 /nfs/dbraw/zinc/48/61/81/527486181.db2.gz UVEKTHOSHDXEGR-UHFFFAOYSA-N 0 0 283.158 3.687 10 0 CHAERN OC1CCC(Nc2ccc(SC(F)F)cc2)CC1 ZINC000236470160 527516332 /nfs/dbraw/zinc/51/63/32/527516332.db2.gz BUYVSQUEWFKFMF-UHFFFAOYSA-N 0 0 273.348 3.717 10 0 CHAERN Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000054433322 527577703 /nfs/dbraw/zinc/57/77/03/527577703.db2.gz DMDQGSKQTNBRAZ-UHFFFAOYSA-N 0 0 292.169 3.974 10 0 CHAERN Nc1onc(C2CCC2)c1-c1ccccc1Br ZINC000055334409 527582091 /nfs/dbraw/zinc/58/20/91/527582091.db2.gz VVFKLMBTGKUJKC-UHFFFAOYSA-N 0 0 293.164 3.954 10 0 CHAERN C/C=C/CCNc1nnc(Cc2ccc(F)cc2)s1 ZINC000302102957 527615676 /nfs/dbraw/zinc/61/56/76/527615676.db2.gz LYHONDUPPHGABW-NSCUHMNNSA-N 0 0 277.368 3.646 10 0 CHAERN O=C([O-])[C@@H](c1csc2ccccc21)[NH+]1CCCCC1 ZINC000054465733 527657381 /nfs/dbraw/zinc/65/73/81/527657381.db2.gz QIEYTMMJDFXFSQ-CQSZACIVSA-N 0 0 275.373 3.513 10 0 CHAERN O[C@H](CCNc1ccccc1Cl)c1ccccc1 ZINC000049849975 527683239 /nfs/dbraw/zinc/68/32/39/527683239.db2.gz JJDKWYNKJSSCJI-OAHLLOKOSA-N 0 0 261.752 3.876 10 0 CHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc2c1CCCC2 ZINC000087406463 527697694 /nfs/dbraw/zinc/69/76/94/527697694.db2.gz HEKDYZCTFYJDGM-GFCCVEGCSA-N 0 0 269.392 3.780 10 0 CHAERN CC1(c2nc(C3CCCCCC3)no2)CCC(=O)CC1 ZINC000335362127 528065725 /nfs/dbraw/zinc/06/57/25/528065725.db2.gz PUEHNPHDFKJCHX-UHFFFAOYSA-N 0 0 276.380 3.908 10 0 CHAERN C[Si](C)(C)CCSCc1nc(CC(F)(F)F)no1 ZINC000725245037 567908133 /nfs/dbraw/zinc/90/81/33/567908133.db2.gz DJTWESSZVIAAJN-UHFFFAOYSA-N 0 0 298.406 3.746 10 0 CHAERN CC(C)(C)c1cc2nc(C(F)(F)F)nn2c(Cl)c1 ZINC000725242996 570255249 /nfs/dbraw/zinc/25/52/49/570255249.db2.gz FCSSTXZDSWIGDO-UHFFFAOYSA-N 0 0 277.677 3.699 10 0 CHAERN Cn1cc(C(F)F)c(-c2cc(Cl)ccc2F)n1 ZINC000725270112 570263309 /nfs/dbraw/zinc/26/33/09/570263309.db2.gz HHPWOWBHOLYGBV-UHFFFAOYSA-N 0 0 260.646 3.817 10 0 CHAERN CC(C)CC(=O)C[C@]1(C)CC[C@H](c2ccoc2)O1 ZINC000001557675 560182280 /nfs/dbraw/zinc/18/22/80/560182280.db2.gz WOFDWNOSFDVCDF-CABCVRRESA-N 0 0 250.338 3.895 10 0 biogenic,in-vitro CHAERN C[C@@]12CC(=O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2 ZINC000003815431 560189675 /nfs/dbraw/zinc/18/96/75/560189675.db2.gz VUQQUDLAAJRNMK-ZJPYXAASSA-N 0 0 270.372 3.817 10 0 in-vitro CHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1cccc(Br)c1 ZINC000083000643 566962024 /nfs/dbraw/zinc/96/20/24/566962024.db2.gz XZADRCVHKNRVCW-PELKAZGASA-N 0 0 285.206 3.909 10 0 CHAERN CCC(C)(C)C1CCC([C@@H]2CC[C@H](C(=O)[O-])[NH2+]C2)CC1 ZINC000675059834 567022646 /nfs/dbraw/zinc/02/26/46/567022646.db2.gz NUHPUIYNRHZKRE-HXSCFSKGSA-N 0 0 281.440 3.682 10 0 CHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccncc1 ZINC000027469256 567073269 /nfs/dbraw/zinc/07/32/69/567073269.db2.gz DVIRRAWJSMEGQQ-SNPRPXQTSA-N 0 0 261.365 3.699 10 0 CHAERN CC1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000166972302 567092929 /nfs/dbraw/zinc/09/29/29/567092929.db2.gz PBJWBICIBDABLJ-UHFFFAOYSA-N 0 0 269.182 3.847 10 0 CHAERN Oc1cc2ccc(Br)cc2nc1C1CCC1 ZINC000685963272 567210642 /nfs/dbraw/zinc/21/06/42/567210642.db2.gz KTINMCOKDGDENP-UHFFFAOYSA-N 0 0 278.149 3.970 10 0 CHAERN COc1c(C)cnc(CSc2ccccc2N)c1C ZINC000019844457 567211220 /nfs/dbraw/zinc/21/12/20/567211220.db2.gz DKDFHIXFHMHAFL-UHFFFAOYSA-N 0 0 274.389 3.582 10 0 CHAERN COC(OC)[C@@H](C)Sc1ccc(Br)cc1 ZINC000616573456 567212472 /nfs/dbraw/zinc/21/24/72/567212472.db2.gz RVIUDOGACNJUHG-MRVPVSSYSA-N 0 0 291.210 3.549 10 0 CHAERN C[C@H](O)c1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000109577776 567220503 /nfs/dbraw/zinc/22/05/03/567220503.db2.gz QRIWWNLWSSFGKK-MNOVXSKESA-N 0 0 253.773 3.772 10 0 CHAERN CCn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1 ZINC000000123425 567818959 /nfs/dbraw/zinc/81/89/59/567818959.db2.gz LXVRQUMZFGGBPO-UHFFFAOYSA-N 0 0 297.383 3.884 10 0 CHAERN COc1cccc(-c2ccncc2Br)c1 ZINC000003880926 567854345 /nfs/dbraw/zinc/85/43/45/567854345.db2.gz VGWXEMORTNJIIG-UHFFFAOYSA-N 0 0 264.122 3.520 10 0 CHAERN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000003977995 567854753 /nfs/dbraw/zinc/85/47/53/567854753.db2.gz DNXHEGUUPJUMQT-XLMAVXFVSA-N 0 0 270.372 3.817 10 0 CHAERN CC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000033435580 567860940 /nfs/dbraw/zinc/86/09/40/567860940.db2.gz CATPLRAVOOCESA-UHFFFAOYSA-N 0 0 255.361 3.684 10 0 CHAERN O=Cc1ccc(-c2cccc(Br)c2F)o1 ZINC000236130903 567892826 /nfs/dbraw/zinc/89/28/26/567892826.db2.gz IOINWNJERRRIPJ-UHFFFAOYSA-N 0 0 269.069 3.661 10 0 CHAERN O=C(c1ccccc1)C1(Br)CCCC1 ZINC000060204817 567896736 /nfs/dbraw/zinc/89/67/36/567896736.db2.gz BNULTXNEKXSBQI-UHFFFAOYSA-N 0 0 253.139 3.577 10 0 CHAERN Cc1nc(Cl)cc(CCc2ccc(Cl)cc2)n1 ZINC000409429848 567899707 /nfs/dbraw/zinc/89/97/07/567899707.db2.gz JVUKJSXZDHIHJO-UHFFFAOYSA-N 0 0 267.159 3.877 10 0 CHAERN CC(C)(C)OC(=O)N[C@@H]1CCNc2cc(Cl)ccc21 ZINC000068575604 567901227 /nfs/dbraw/zinc/90/12/27/567901227.db2.gz JDVYZDULNLHBBY-LLVKDONJSA-N 0 0 282.771 3.721 10 0 CHAERN CC(C)c1noc(CSCC[Si](C)(C)C)n1 ZINC000725245974 567908204 /nfs/dbraw/zinc/90/82/04/567908204.db2.gz PBWGUGBIHCHJGW-UHFFFAOYSA-N 0 0 258.463 3.764 10 0 CHAERN CC(C)c1nnc(CSCC[Si](C)(C)C)o1 ZINC000725245534 567908221 /nfs/dbraw/zinc/90/82/21/567908221.db2.gz JYRDMYLONCBMST-UHFFFAOYSA-N 0 0 258.463 3.764 10 0 CHAERN COc1nscc1CSCC[Si](C)(C)C ZINC000725246197 567908311 /nfs/dbraw/zinc/90/83/11/567908311.db2.gz RHMMIHMJGUKDDB-UHFFFAOYSA-N 0 0 261.488 3.723 10 0 CHAERN CCCCO[C@H](C)OCC(F)(F)[C@@H](F)C(F)(F)F ZINC000098210585 567911572 /nfs/dbraw/zinc/91/15/72/567911572.db2.gz MHWJJEAAUALWDP-JGVFFNPUSA-N 0 0 282.224 3.701 10 0 CHAERN CCC(C)(C)[C@@H]1CCC(=O)N[C@H](C(F)(F)F)CC1 ZINC000725256017 567915333 /nfs/dbraw/zinc/91/53/33/567915333.db2.gz OUJPARISMVELPS-UWVGGRQHSA-N 0 0 265.319 3.660 10 0 CHAERN CCCN(CCC)c1cc(N)ccc1C(F)(F)F ZINC000725263554 567922907 /nfs/dbraw/zinc/92/29/07/567922907.db2.gz PJIMVJBGMOBMRA-UHFFFAOYSA-N 0 0 260.303 3.914 10 0 CHAERN O=C1[C@@H]2[C@H](C[C@H]2c2ccccc2)CCN1Cc1ccccc1 ZINC000725262658 567923029 /nfs/dbraw/zinc/92/30/29/567923029.db2.gz RRHKPGXNYQKHRK-GBESFXJTSA-N 0 0 291.394 3.839 10 0 CHAERN CCC[C@@H]1CCc2[nH]nc(-c3ccc(C=O)s3)c2C1 ZINC000725265504 567923284 /nfs/dbraw/zinc/92/32/84/567923284.db2.gz ISWZYTWEEOBLOR-SNVBAGLBSA-N 0 0 274.389 3.856 10 0 CHAERN CCC(C)(C)[C@H]1CCc2nn(C(C)(C)C)c(N)c2C1 ZINC000725265587 567923475 /nfs/dbraw/zinc/92/34/75/567923475.db2.gz LOGMMZXNOKUGBY-NSHDSACASA-N 0 0 263.429 3.761 10 0 CHAERN CC(C)(C)c1nc2cc(Br)ccc2cc1NN ZINC000725267943 567924080 /nfs/dbraw/zinc/92/40/80/567924080.db2.gz CUPMCOBSMZIHKH-UHFFFAOYSA-N 0 0 294.196 3.580 10 0 CHAERN CC[C@H](C)c1nc2c(Br)cccc2cc1NN ZINC000725268086 567924167 /nfs/dbraw/zinc/92/41/67/567924167.db2.gz JAOLDELKYOKKPE-QMMMGPOBSA-N 0 0 294.196 3.796 10 0 CHAERN Cn1cc(C(F)F)c(-c2cccc(Br)c2)n1 ZINC000725270733 567924777 /nfs/dbraw/zinc/92/47/77/567924777.db2.gz RWPXVWYQPRESHF-UHFFFAOYSA-N 0 0 287.107 3.787 10 0 CHAERN CCn1cc(C(F)F)c(-c2cnc(Cl)c(C)c2)n1 ZINC000725270491 567924823 /nfs/dbraw/zinc/92/48/23/567924823.db2.gz OYKBUYRETBQGFC-UHFFFAOYSA-N 0 0 271.698 3.864 10 0 CHAERN COc1cccc2c(C)c(C(C)=O)c(C(F)(F)F)nc12 ZINC000584883446 570229430 /nfs/dbraw/zinc/22/94/30/570229430.db2.gz ZVWASACRPIRGPO-UHFFFAOYSA-N 0 0 283.249 3.773 10 0 CHAERN O[C@@H](CC1(c2ccccc2)CCC1)c1ccccn1 ZINC000087493532 570254189 /nfs/dbraw/zinc/25/41/89/570254189.db2.gz NMGOTHDWTPUALS-INIZCTEOSA-N 0 0 253.345 3.627 10 0 CHAERN CCCc1cc2nc([C@H](C)CC)nn2c(Br)c1 ZINC000725248524 570256103 /nfs/dbraw/zinc/25/61/03/570256103.db2.gz WSVGRLNHWNPZTB-SECBINFHSA-N 0 0 296.212 3.958 10 0 CHAERN CCc1nc2cc(C(C)C)c(CC)c(Cl)n2n1 ZINC000725248298 570256164 /nfs/dbraw/zinc/25/61/64/570256164.db2.gz QITJBAYPRGZHGK-UHFFFAOYSA-N 0 0 251.761 3.631 10 0 CHAERN O=c1cc(-c2ccc(Cl)cc2Cl)[nH]c(=S)[nH]1 ZINC000084122998 570273603 /nfs/dbraw/zinc/27/36/03/570273603.db2.gz SLIHEXNUVVRPER-UHFFFAOYSA-N 0 0 273.144 3.819 10 0 CHAERN CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215734998 570303599 /nfs/dbraw/zinc/30/35/99/570303599.db2.gz VBPUHQSYDZQJKL-WDMOLILDSA-N 0 0 276.767 3.768 10 0 CHAERN CCC[C@]1(C)C(=O)[C@@H]2CCCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384201 570352865 /nfs/dbraw/zinc/35/28/65/570352865.db2.gz QDDUWRUCAKPVDV-IGCXYCKISA-N 0 0 295.423 3.781 10 0 CHAERN CCc1cc(CC)n(-c2cccc(F)c2Cl)n1 ZINC000536949503 570358259 /nfs/dbraw/zinc/35/82/59/570358259.db2.gz CFQDKQMZXAWOEU-UHFFFAOYSA-N 0 0 252.720 3.790 10 0 CHAERN CC(C)(C)c1c(F)cccc1I ZINC000196936702 570380500 /nfs/dbraw/zinc/38/05/00/570380500.db2.gz XCURNGCQRWRLSN-UHFFFAOYSA-N 0 0 278.108 3.728 10 0 CHAERN Clc1cc(C2CC2)nc(C(Cl)(Cl)Cl)n1 ZINC000685959084 570406677 /nfs/dbraw/zinc/40/66/77/570406677.db2.gz JKQOPPVRLAFTMK-UHFFFAOYSA-N 0 0 271.962 3.834 10 0 CHAERN CCC(C)(C)[C@H]1CCc2[nH]nc(Br)c2C1 ZINC000685952841 570406095 /nfs/dbraw/zinc/40/60/95/570406095.db2.gz QOZBLJMZGLPIAJ-QMMMGPOBSA-N 0 0 271.202 3.713 10 0 CHAERN C[C@@H](CC(=O)CNC(=O)OCc1ccccc1)C(C)(C)C ZINC000685959468 570406606 /nfs/dbraw/zinc/40/66/06/570406606.db2.gz XDKFPOSKQKZREZ-ZDUSSCGKSA-N 0 0 291.391 3.554 10 0 CHAERN