smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(/C=C2/SC(N(C(C)=O)c3ccccc3)=NC2=O)oc1C ZINC000097046511 203834456 /nfs/dbraw/zinc/83/44/56/203834456.db2.gz PPQNFMPGWCFPDN-MHWRWJLKSA-N 0 0 384.413 3.398 10 10 GGCERN CC(C)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000096930790 203834801 /nfs/dbraw/zinc/83/48/01/203834801.db2.gz UPYUPGGHGYMKHL-GHRIWEEISA-N 0 0 376.547 3.343 10 10 GGCERN Cc1ccc(NC(=O)COC(=O)c2ccccc2/N=N/N(C)C)cc1[N+](=O)[O-] ZINC000003385243 204002350 /nfs/dbraw/zinc/00/23/50/204002350.db2.gz VJMQSUFGWHQFAR-QZQOTICOSA-N 0 0 385.380 3.259 10 10 GGCERN COc1ccc(N2CCN(C(=O)C(=O)c3c(C)n(C)c4ccccc43)CC2)cc1 ZINC000004062448 204024679 /nfs/dbraw/zinc/02/46/79/204024679.db2.gz KYVSVZMZENPPHC-UHFFFAOYSA-N 0 0 391.471 3.027 10 10 GGCERN Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000004470164 204045392 /nfs/dbraw/zinc/04/53/92/204045392.db2.gz NMQQOGCPJOQNKI-XNTDXEJSSA-N 0 0 394.481 3.418 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1 ZINC000005277461 204123399 /nfs/dbraw/zinc/12/33/99/204123399.db2.gz DVRHOURRYGXXDM-UHFFFAOYSA-N 0 0 395.459 3.150 10 10 GGCERN O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccc(O)cc1 ZINC000005772171 204151471 /nfs/dbraw/zinc/15/14/71/204151471.db2.gz OECCQTOIRBYFKU-QSJINSDNSA-N 0 0 382.466 3.495 10 10 GGCERN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(O)c1 ZINC000006351140 204176348 /nfs/dbraw/zinc/17/63/48/204176348.db2.gz XZGWGTAAVWYVST-IBGZPJMESA-N 0 0 397.431 3.066 10 10 GGCERN Cc1cc(C)cc(OCCSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)c1 ZINC000006915830 204223749 /nfs/dbraw/zinc/22/37/49/204223749.db2.gz DRUJFVDWFWRHRM-UHFFFAOYSA-N 0 0 382.445 3.466 10 10 GGCERN CCNc1nc2nnc(SCCOc3ccc(Cl)cc3)n2c(NCC)n1 ZINC000006949374 204227582 /nfs/dbraw/zinc/22/75/82/204227582.db2.gz WMGXNILPPDTTOG-UHFFFAOYSA-N 0 0 393.904 3.207 10 10 GGCERN CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112773 204233392 /nfs/dbraw/zinc/23/33/92/204233392.db2.gz GZJGMEQUNYFMHR-NRFANRHFSA-N 0 0 377.444 3.475 10 10 GGCERN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1sccc1C(N)=O ZINC000007126318 204233561 /nfs/dbraw/zinc/23/35/61/204233561.db2.gz QICNCKBSQYBCKC-UHFFFAOYSA-N 0 0 386.502 3.461 10 10 GGCERN CN(C)c1ccc(CN(C[C@H]2CCCO2)S(=O)(=O)c2cccs2)cc1 ZINC000007278557 204237092 /nfs/dbraw/zinc/23/70/92/204237092.db2.gz XDETVKOYFYIFGF-QGZVFWFLSA-N 0 0 380.535 3.184 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccn1 ZINC000009379093 204309761 /nfs/dbraw/zinc/30/97/61/204309761.db2.gz NHEIXUGIEQRMMA-RCDICMHDSA-N 0 0 394.475 3.173 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccccn1 ZINC000009379094 204310373 /nfs/dbraw/zinc/31/03/73/204310373.db2.gz NHEIXUGIEQRMMA-PEBXRYMYSA-N 0 0 394.475 3.173 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2ccccc2NC(=O)C2=CSCCO2)cc1 ZINC000009739322 204322619 /nfs/dbraw/zinc/32/26/19/204322619.db2.gz KGLPHZKSRWKOQY-UHFFFAOYSA-N 0 0 397.500 3.226 10 10 GGCERN Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000012523983 204417332 /nfs/dbraw/zinc/41/73/32/204417332.db2.gz DYGLYJSNAZJJCB-VHEBQXMUSA-N 0 0 389.368 3.018 10 10 GGCERN COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000012584728 204426823 /nfs/dbraw/zinc/42/68/23/204426823.db2.gz PQDZFVVLANEPLV-BOPFTXTBSA-N 0 0 380.400 3.053 10 10 GGCERN CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl ZINC000012884582 204461772 /nfs/dbraw/zinc/46/17/72/204461772.db2.gz DLZLEARXCXYXFO-MDZDMXLPSA-N 0 0 386.882 3.124 10 10 GGCERN CCOC(=O)c1c(C)c(CCC(=O)NCc2ccc(N(C)C)cc2)c(C)n1C ZINC000046046670 205102412 /nfs/dbraw/zinc/10/24/12/205102412.db2.gz XAQMWZAEYFVWOX-UHFFFAOYSA-N 0 0 385.508 3.134 10 10 GGCERN Cc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1F ZINC000058046122 205162278 /nfs/dbraw/zinc/16/22/78/205162278.db2.gz BXBDQZGRQBSTQG-GVDBMIGSSA-N 0 0 387.499 3.461 10 10 GGCERN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 ZINC000033248362 206096160 /nfs/dbraw/zinc/09/61/60/206096160.db2.gz ABHRGTBTOYJOJM-QGOAFFKASA-N 0 0 383.444 3.479 10 10 GGCERN COc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N(C(C)C)C2=O)c(OC)c1 ZINC000033349813 206098431 /nfs/dbraw/zinc/09/84/31/206098431.db2.gz LRMRNIKMGGCNAY-YVLHZVERSA-N 0 0 398.415 3.080 10 10 GGCERN CC(C)C1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3O)C2=N)S1 ZINC000097426984 206125047 /nfs/dbraw/zinc/12/50/47/206125047.db2.gz QSHPUBFBPSMSIC-PYJFJABNSA-N 0 0 393.266 3.430 10 10 GGCERN CCN(C(=O)[O-])c1cc2c(c(N)[nH+]1)N=C(CN(C)c1ccc(OC)cc1)[C@@H](C)N2 ZINC000090449876 206210259 /nfs/dbraw/zinc/21/02/59/206210259.db2.gz PENKHHJSYLDYBD-GFCCVEGCSA-N 0 0 398.467 3.200 10 10 GGCERN O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005598882 206217432 /nfs/dbraw/zinc/21/74/32/206217432.db2.gz WOTMVARMBSATJP-JHHGQVAESA-N 0 0 379.463 3.031 10 10 GGCERN O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005598883 206217469 /nfs/dbraw/zinc/21/74/69/206217469.db2.gz WOTMVARMBSATJP-FWSRSQSESA-N 0 0 379.463 3.031 10 10 GGCERN Cc1nc2cnccn2c1NCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000064758472 136157567 /nfs/dbraw/zinc/15/75/67/136157567.db2.gz JEJPEAFVFYMLEC-UHFFFAOYSA-N 0 0 392.507 3.146 10 10 GGCERN COc1cccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 ZINC000065096208 136159041 /nfs/dbraw/zinc/15/90/41/136159041.db2.gz HPNWBRKPIWDJAO-UHFFFAOYSA-N 0 0 384.457 3.084 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000089894135 136175852 /nfs/dbraw/zinc/17/58/52/136175852.db2.gz PRCQOGYRWGEFBQ-DYLHUKMJSA-N 0 0 399.451 3.337 10 10 GGCERN Cn1ccc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)ccc21 ZINC000096400035 136187035 /nfs/dbraw/zinc/18/70/35/136187035.db2.gz CGTVAHCHXNJPRE-UHFFFAOYSA-N 0 0 377.488 3.264 10 10 GGCERN Cc1ccccc1[C@@H]1CC(c2ccc(N3CCOCC3)c(F)c2)=Nc2nnnn21 ZINC000103267287 136191088 /nfs/dbraw/zinc/19/10/88/136191088.db2.gz YVFCDVZADQKMTN-FQEVSTJZSA-N 0 0 392.438 3.013 10 10 GGCERN COc1ccc(N2CCN(c3nc(C(=O)N4CCCCC4)cs3)CC2)cc1 ZINC000065211554 536702199 /nfs/dbraw/zinc/70/21/99/536702199.db2.gz OABILEQZZSGOAD-UHFFFAOYSA-N 0 0 386.521 3.104 10 10 GGCERN C[C@H]1SCCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)[C@@H]1C ZINC000118289859 564238757 /nfs/dbraw/zinc/23/87/57/564238757.db2.gz UVFUNBJXSPWQTI-HUUCEWRRSA-N 0 0 378.563 3.367 10 10 GGCERN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)ccc1O ZINC000012536038 564268066 /nfs/dbraw/zinc/26/80/66/564268066.db2.gz KEONTMLJIVMIOA-UHFFFAOYSA-N 0 0 399.266 3.222 10 10 GGCERN Cc1cc(=O)[nH]c(NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000015587378 564288943 /nfs/dbraw/zinc/28/89/43/564288943.db2.gz MZCUMSLUFHMPQW-UHFFFAOYSA-N 0 0 377.779 3.064 10 10 GGCERN COc1cc(/C=C2\SC(=S)N(CCCSC)C2=O)cc2c1OCCO2 ZINC000054486289 564605256 /nfs/dbraw/zinc/60/52/56/564605256.db2.gz HGRDAMTYWFQVEM-UVTDQMKNSA-N 0 0 397.543 3.421 10 10 GGCERN Nc1ccc(CCNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000152495062 564961709 /nfs/dbraw/zinc/96/17/09/564961709.db2.gz GTZPJXVACOQCAR-MRXNPFEDSA-N 0 0 375.881 3.084 10 10 GGCERN O=C(Cc1ccc(Br)s1)NCc1ccc(N2CCOCC2)cc1 ZINC000114319947 565073913 /nfs/dbraw/zinc/07/39/13/565073913.db2.gz KQAMTVYJZIJXMD-UHFFFAOYSA-N 0 0 395.322 3.206 10 10 GGCERN OCC1CCN(c2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000268458299 565153463 /nfs/dbraw/zinc/15/34/63/565153463.db2.gz KIEBJRQQEPFXRP-UHFFFAOYSA-N 0 0 377.286 3.060 10 10 GGCERN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)cc(F)c1[O-] ZINC000185025581 565173103 /nfs/dbraw/zinc/17/31/03/565173103.db2.gz HQXRGJITPLPXKN-SNVBAGLBSA-N 0 0 392.232 3.120 10 10 GGCERN CN(C)c1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000269267314 565183102 /nfs/dbraw/zinc/18/31/02/565183102.db2.gz DRJWJUXDPAHHPT-LUAWRHEFSA-N 0 0 380.520 3.031 10 10 GGCERN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185995623 565233555 /nfs/dbraw/zinc/23/35/55/565233555.db2.gz MUEOMZZAQXONNK-KOLCDFICSA-N 0 0 383.265 3.113 10 10 GGCERN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185995566 565233939 /nfs/dbraw/zinc/23/39/39/565233939.db2.gz MUEOMZZAQXONNK-GXSJLCMTSA-N 0 0 383.265 3.113 10 10 GGCERN COC(=O)c1cnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)s1 ZINC000295152117 565248494 /nfs/dbraw/zinc/24/84/94/565248494.db2.gz FJWQHSMIHXRXGD-QWRGUYRKSA-N 0 0 380.491 3.296 10 10 GGCERN C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Br)cc1O ZINC000186262704 565250972 /nfs/dbraw/zinc/25/09/72/565250972.db2.gz DYGONXAUNIYUMW-GFCCVEGCSA-N 0 0 390.281 3.264 10 10 GGCERN O=S(=O)(C[C@H]1CCCC1(F)F)NCc1cccc(Br)c1O ZINC000296059653 565299972 /nfs/dbraw/zinc/29/99/72/565299972.db2.gz GDXOBUAHOQJIIQ-SNVBAGLBSA-N 0 0 384.242 3.010 10 10 GGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000273447743 565321665 /nfs/dbraw/zinc/32/16/65/565321665.db2.gz FJPZSFYJXMNYFP-ZBEGNZNMSA-N 0 0 394.265 3.326 10 10 GGCERN C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273457896 565321705 /nfs/dbraw/zinc/32/17/05/565321705.db2.gz HIVMTBWCDNFIOV-MEBBXXQBSA-N 0 0 381.226 3.447 10 10 GGCERN CN(C)c1ccc(CN(C)C(=O)CSc2nnc(C(F)(F)F)s2)cc1 ZINC000188138731 565382618 /nfs/dbraw/zinc/38/26/18/565382618.db2.gz KVXSFLGVCDBESE-UHFFFAOYSA-N 0 0 390.456 3.374 10 10 GGCERN CC(C)CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(O)cc(Br)c1O ZINC000170650347 565384940 /nfs/dbraw/zinc/38/49/40/565384940.db2.gz RWXQWIYGHGEZLO-HNNXBMFYSA-N 0 0 383.286 3.260 10 10 GGCERN O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccc(Br)cc4C3)cc2N1 ZINC000302164905 565533853 /nfs/dbraw/zinc/53/38/53/565533853.db2.gz JDEROWZKKUBXCF-UHFFFAOYSA-N 0 0 390.193 3.208 10 10 GGCERN COc1cc(Br)cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000364678451 566064484 /nfs/dbraw/zinc/06/44/84/566064484.db2.gz PSBSPCOUDZRNCT-OAHLLOKOSA-N 0 0 389.253 3.161 10 10 GGCERN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CCCOC1 ZINC000264314149 566210740 /nfs/dbraw/zinc/21/07/40/566210740.db2.gz OEXDEZJLNDKDBJ-XTCQQWIJSA-N 0 0 396.559 3.025 10 10 GGCERN CC1(C)CN(C(=O)c2ccnc3c2CC(=O)N3)c2ccc(Br)cc21 ZINC000614712937 567135496 /nfs/dbraw/zinc/13/54/96/567135496.db2.gz VTXSEZFJBNTIOS-UHFFFAOYSA-N 0 0 386.249 3.277 10 10 GGCERN CC1(C)CN(C(=O)c2ccnc3c2CC(=O)N3)c2cc(Br)ccc21 ZINC000618857385 567417816 /nfs/dbraw/zinc/41/78/16/567417816.db2.gz FFEBZVKORFTYTC-UHFFFAOYSA-N 0 0 386.249 3.277 10 10 GGCERN Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1[C@H]1CCOC1 ZINC000529168169 567493007 /nfs/dbraw/zinc/49/30/07/567493007.db2.gz DFTMHKFUCFQFMS-AWEZNQCLSA-N 0 0 393.281 3.464 10 10 GGCERN Cc1cc(Br)c([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1 ZINC000529663377 567537532 /nfs/dbraw/zinc/53/75/32/567537532.db2.gz KTWIUIDIVPJZOF-UHFFFAOYSA-N 0 0 383.330 3.150 10 10 GGCERN [O-]c1c(Br)cc(Br)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176045 567580352 /nfs/dbraw/zinc/58/03/52/567580352.db2.gz AKPGNDNEHMHRFO-LBPRGKRZSA-N 0 0 390.119 3.291 10 10 GGCERN [O-]c1c(Br)cc(Br)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176044 567580670 /nfs/dbraw/zinc/58/06/70/567580670.db2.gz AKPGNDNEHMHRFO-GFCCVEGCSA-N 0 0 390.119 3.291 10 10 GGCERN C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S1 ZINC000015730897 570222762 /nfs/dbraw/zinc/22/27/62/570222762.db2.gz XOZFAQITCAPXIE-JTQLQIEISA-N 0 0 392.458 3.039 10 10 GGCERN C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2S1 ZINC000015730896 570222994 /nfs/dbraw/zinc/22/29/94/570222994.db2.gz XOZFAQITCAPXIE-SNVBAGLBSA-N 0 0 392.458 3.039 10 10 GGCERN Cc1cccc(N2C(=O)/C(=C3/c4ccccc4N(CO)C3=O)SC2=S)c1 ZINC000020408162 570254573 /nfs/dbraw/zinc/25/45/73/570254573.db2.gz NTEGQMRFMZSMAS-FOCLMDBBSA-N 0 0 382.466 3.067 10 10 GGCERN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 ZINC000020432033 570255602 /nfs/dbraw/zinc/25/56/02/570255602.db2.gz WKGXEPYBZJOOJN-JOCHJYFZSA-N 0 0 394.519 3.041 10 10 GGCERN Cc1nnc(-c2cn(CC(=O)NCc3ccc(N(C)C)cc3)c3ccccc23)o1 ZINC000035423216 570354825 /nfs/dbraw/zinc/35/48/25/570354825.db2.gz HUIZLFVLYMILBU-UHFFFAOYSA-N 0 0 389.459 3.382 10 10 GGCERN COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000024208036 570380719 /nfs/dbraw/zinc/38/07/19/570380719.db2.gz SMDLEDPHMJXWDI-UHFFFAOYSA-N 0 0 395.503 3.074 10 10 GGCERN Cc1ccc2[nH]c(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)nc2c1 ZINC000033070869 570401009 /nfs/dbraw/zinc/40/10/09/570401009.db2.gz HAQLMRIXWXCBNV-UHFFFAOYSA-N 0 0 391.519 3.470 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCC4CC4)[C@H]3C2)cc1 ZINC000248128031 570442178 /nfs/dbraw/zinc/44/21/78/570442178.db2.gz IUIAWRXJWWCSTD-JTHBVZDNSA-N 0 0 391.515 3.089 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCC4CC4)[C@H]3C2)cc1 ZINC000248128030 570442408 /nfs/dbraw/zinc/44/24/08/570442408.db2.gz IUIAWRXJWWCSTD-FYYLOGMGSA-N 0 0 391.515 3.089 10 10 GGCERN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000032956480 570446936 /nfs/dbraw/zinc/44/69/36/570446936.db2.gz MGCDNOXCKZGWIK-UHFFFAOYSA-N 0 0 387.867 3.026 10 10 GGCERN COc1ccc(-n2cccc2/C=C2\C(=N)N3N=CSC3=NC2=O)cc1Cl ZINC000032964029 570546689 /nfs/dbraw/zinc/54/66/89/570546689.db2.gz OSPGWUTWPZKTPR-CRKOOCFNSA-N 0 0 385.836 3.388 10 10 GGCERN Cc1cc2nc(C)c(=O)n(CCC(=O)NCc3ccc(N(C)C)cc3)c2cc1C ZINC000033005725 570618663 /nfs/dbraw/zinc/61/86/63/570618663.db2.gz LGMMEKNBGBJVQG-UHFFFAOYSA-N 0 0 392.503 3.094 10 10 GGCERN Cc1cc(C)c(NC(=O)CN(C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 ZINC000012988413 570737978 /nfs/dbraw/zinc/73/79/78/570737978.db2.gz FXYMSYCVSVQRBA-UHFFFAOYSA-N 0 0 396.443 3.200 10 10 GGCERN C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCOCC1 ZINC000000994199 570744220 /nfs/dbraw/zinc/74/42/20/570744220.db2.gz YOBZFSVALSTNRH-RAXLEYEMSA-N 0 0 396.394 3.167 10 10 GGCERN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)cc(C)c3O)CC2)c(C)c1 ZINC000013070346 570745106 /nfs/dbraw/zinc/74/51/06/570745106.db2.gz LFCSDMCHHAPJSI-UHFFFAOYSA-N 0 0 388.533 3.132 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2C)cc1 ZINC000013131717 570748023 /nfs/dbraw/zinc/74/80/23/570748023.db2.gz UFNRULWFTDSZAI-RTBURBONSA-N 0 0 392.455 3.237 10 10 GGCERN Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000018150562 570806328 /nfs/dbraw/zinc/80/63/28/570806328.db2.gz VRFDZAJKMCFMQV-UHFFFAOYSA-N 0 0 393.487 3.096 10 10 GGCERN CNc1nc(SCC(=O)NCc2ccc(N(C)C)cc2)nc2ccccc21 ZINC000012516229 570825663 /nfs/dbraw/zinc/82/56/63/570825663.db2.gz UGYFQLAZZVUOHK-UHFFFAOYSA-N 0 0 381.505 3.146 10 10 GGCERN COC(=O)C=C(C)Nc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1 ZINC000103839880 570889361 /nfs/dbraw/zinc/88/93/61/570889361.db2.gz USHVASGKGUJVPB-PUHIZWQHSA-N 0 0 376.416 3.009 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000104919391 570908438 /nfs/dbraw/zinc/90/84/38/570908438.db2.gz HTTYYJMZUFLXAN-GGAORHGYSA-N 0 0 391.515 3.185 10 10 GGCERN CCOCCc1nnc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)s1 ZINC000015673762 571041502 /nfs/dbraw/zinc/04/15/02/571041502.db2.gz QNWLSBYFVXOQID-UHFFFAOYSA-N 0 0 398.488 3.346 10 10 GGCERN Cc1cc(C(=O)CN2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccccc1C ZINC000053285664 1406355444 /nfs/dbraw/zinc/35/54/44/1406355444.db2.gz ASNRCUKESZCGIE-UHFFFAOYSA-N 0 0 394.519 3.075 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000054786127 1406825481 /nfs/dbraw/zinc/82/54/81/1406825481.db2.gz AWWHGAAMXJAICO-UHFFFAOYSA-N 0 0 395.503 3.318 10 10 GGCERN O=C(NC1CCCCC1)C(=Cc1ccc(O)c(O)c1)C(=O)NC1CCCCC1 ZINC000003234956 1398329168 /nfs/dbraw/zinc/32/91/68/1398329168.db2.gz MCQVTZRRNMSDNE-UHFFFAOYSA-N 0 0 386.492 3.379 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(=O)n3C3CC3)c2C)cc1 ZINC000003303771 1398333356 /nfs/dbraw/zinc/33/33/56/1398333356.db2.gz JZPZBTXVRGUJIF-UHFFFAOYSA-N 0 0 398.488 3.297 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)[C@H]2CCCCN32)cc1 ZINC000008609717 1398841938 /nfs/dbraw/zinc/84/19/38/1398841938.db2.gz AZXMEKFLWDOGOL-HXUWFJFHSA-N 0 0 392.503 3.018 10 10 GGCERN CCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)cc1 ZINC000008688210 1398843720 /nfs/dbraw/zinc/84/37/20/1398843720.db2.gz FWYWRGNVZCQSKL-UHFFFAOYSA-N 0 0 385.464 3.457 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000012587970 1399049190 /nfs/dbraw/zinc/04/91/90/1399049190.db2.gz ISTALJAQEHWJQC-WEVVVXLNSA-N 0 0 378.472 3.130 10 10 GGCERN Cc1cc(C)c(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1C ZINC000012912587 1399065089 /nfs/dbraw/zinc/06/50/89/1399065089.db2.gz TZMWJAPYKLWNQA-ATVHPVEESA-N 0 0 376.547 3.145 10 10 GGCERN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C(C)C)ccc3O)CC2)cc1 ZINC000019313364 1399329213 /nfs/dbraw/zinc/32/92/13/1399329213.db2.gz IYJLDWAHRRCHFK-UHFFFAOYSA-N 0 0 388.533 3.331 10 10 GGCERN O=C1C2(c3ccccc3)CN3CC1(c1ccccc1)CN(C2)C3c1ccccc1O ZINC000019329275 1399329855 /nfs/dbraw/zinc/32/98/55/1399329855.db2.gz XNDFBLIYRQONRB-UHFFFAOYSA-N 0 0 396.490 3.481 10 10 GGCERN CC(=O)N1c2ccccc2/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)C1=O ZINC000020309754 1399344908 /nfs/dbraw/zinc/34/49/08/1399344908.db2.gz MTMMPDVHFFNPIV-WUKNDPDISA-N 0 0 394.477 3.351 10 10 GGCERN COc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Cl)c(Cl)c3)=N2)cc1 ZINC000020849743 1399354499 /nfs/dbraw/zinc/35/44/99/1399354499.db2.gz YUIONZXFEGKPJC-OAHLLOKOSA-N 0 0 392.242 3.349 10 10 GGCERN CCOCCCNc1cc(N(C)CCO)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857845 1399354871 /nfs/dbraw/zinc/35/48/71/1399354871.db2.gz MNIHQLIBOBOCGI-UHFFFAOYSA-N 0 0 395.459 3.306 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3nc4ccccc4nc3Cl)CC2)cc1 ZINC000020854116 1399355108 /nfs/dbraw/zinc/35/51/08/1399355108.db2.gz WEZYNTPTHYBRQZ-UHFFFAOYSA-N 0 0 382.851 3.254 10 10 GGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000021314762 1399374424 /nfs/dbraw/zinc/37/44/24/1399374424.db2.gz WQSTWEBAANQXBC-CHHVJCJISA-N 0 0 375.406 3.216 10 10 GGCERN COCCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000044301325 1403915803 /nfs/dbraw/zinc/91/58/03/1403915803.db2.gz AUTPXOPWEPFKSA-UHFFFAOYSA-N 0 0 385.464 3.075 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067561144 1409163655 /nfs/dbraw/zinc/16/36/55/1409163655.db2.gz AQIYCEQKSXOSSS-MJGOQNOKSA-N 0 0 387.430 3.157 10 10 GGCERN CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000093006672 1410215341 /nfs/dbraw/zinc/21/53/41/1410215341.db2.gz GUFDYCWWMODVHG-UHFFFAOYSA-N 0 0 376.403 3.027 10 10 GGCERN COc1cc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3cccs3)C2)ccc1O ZINC000095946115 1410316442 /nfs/dbraw/zinc/31/64/42/1410316442.db2.gz WSZNKKHLAGTINK-MRXNPFEDSA-N 0 0 385.489 3.236 10 10 GGCERN COc1ccc(C(C)(C)NC(=O)CCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000095979873 1410318084 /nfs/dbraw/zinc/31/80/84/1410318084.db2.gz BCNWJYCPBGYUJQ-UHFFFAOYSA-N 0 0 380.485 3.399 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ncccn3)c2C)cc1 ZINC000105471835 1411069963 /nfs/dbraw/zinc/06/99/63/1411069963.db2.gz CIFFYSZOAALILX-HNNXBMFYSA-N 0 0 394.431 3.077 10 10 GGCERN O=C(NCCCSc1nccs1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000114374624 1412421685 /nfs/dbraw/zinc/42/16/85/1412421685.db2.gz GQQUBEDOKFHONX-GJZGRUSLSA-N 0 0 381.567 3.170 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000115998228 1412820953 /nfs/dbraw/zinc/82/09/53/1412820953.db2.gz GDTCDXLATWMPIT-LSDHHAIUSA-N 0 0 390.405 3.360 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cc4c(cc3F)NC(=O)CC4)CC2)cc1 ZINC000120713080 1413882073 /nfs/dbraw/zinc/88/20/73/1413882073.db2.gz FRSMSDMCIINPQD-UHFFFAOYSA-N 0 0 398.438 3.073 10 10 GGCERN COc1ccc(N2CCN(C(=O)CCc3nc(C4CCCC4)no3)CC2)cc1 ZINC000123172094 1414659857 /nfs/dbraw/zinc/65/98/57/1414659857.db2.gz FYBVWAABCMQXDW-UHFFFAOYSA-N 0 0 384.480 3.017 10 10 GGCERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000127103335 1415661382 /nfs/dbraw/zinc/66/13/82/1415661382.db2.gz BKTVITITHNAZRJ-SFHVURJKSA-N 0 0 379.464 3.097 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000128020957 1415894945 /nfs/dbraw/zinc/89/49/45/1415894945.db2.gz FVFOEWCMAHORFJ-UHFFFAOYSA-N 0 0 375.812 3.219 10 10 GGCERN O=C(NCCCSc1nccs1)N1CCN(Cc2ccccc2)CC1 ZINC000154608886 1422959621 /nfs/dbraw/zinc/95/96/21/1422959621.db2.gz AUDLCHOZBNZTRJ-UHFFFAOYSA-N 0 0 376.551 3.153 10 10 GGCERN Cc1cc(C(=O)N2CCC[C@@H]2CN2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000174470189 1427170700 /nfs/dbraw/zinc/17/07/00/1427170700.db2.gz GLDKGZXORDGQAW-HXUWFJFHSA-N 0 0 385.483 3.170 10 10 GGCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000180590359 1429915943 /nfs/dbraw/zinc/91/59/43/1429915943.db2.gz BXEQGGOYTISTCQ-FNORWQNLSA-N 0 0 392.377 3.479 10 10 GGCERN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181120832 1430216924 /nfs/dbraw/zinc/21/69/24/1430216924.db2.gz AGQRKNHWTXRQAZ-JKSUJKDBSA-N 0 0 383.492 3.226 10 10 GGCERN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181120874 1430217698 /nfs/dbraw/zinc/21/76/98/1430217698.db2.gz AGQRKNHWTXRQAZ-HOTGVXAUSA-N 0 0 383.492 3.226 10 10 GGCERN CN1CCCc2cc(CNC(=O)NCc3ccc(N4CCOC4=O)cc3)ccc21 ZINC000181915235 1430382523 /nfs/dbraw/zinc/38/25/23/1430382523.db2.gz HMLRSPIPLSFNOB-UHFFFAOYSA-N 0 0 394.475 3.025 10 10 GGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000194057476 1433109311 /nfs/dbraw/zinc/10/93/11/1433109311.db2.gz CNSKYJCXADKQLX-UHFFFAOYSA-N 0 0 393.487 3.209 10 10 GGCERN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N(C)c1c(F)cccc1C(N)=O ZINC000222213561 1433366344 /nfs/dbraw/zinc/36/63/44/1433366344.db2.gz HIEYCPMAPIZJKY-SEYXRHQNSA-N 0 0 392.434 3.403 10 10 GGCERN CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000240793158 1433446090 /nfs/dbraw/zinc/44/60/90/1433446090.db2.gz AYXWNVCKPJNRSB-UHFFFAOYSA-N 0 0 380.897 3.250 10 10 GGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000243868483 1433451015 /nfs/dbraw/zinc/45/10/15/1433451015.db2.gz RLKRHLJIGVCZTK-UHFFFAOYSA-N 0 0 385.464 3.457 10 10 GGCERN O=C(c1ccc2ccccc2n1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000257188500 1433894278 /nfs/dbraw/zinc/89/42/78/1433894278.db2.gz MTKQRMUVGPHJIN-UHFFFAOYSA-N 0 0 389.455 3.106 10 10 GGCERN CN1CCOc2ccc(NC(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21 ZINC000266941122 1434391070 /nfs/dbraw/zinc/39/10/70/1434391070.db2.gz HYIGKNLEZHXZLR-GOSISDBHSA-N 0 0 397.475 3.434 10 10 GGCERN c1nc(SCc2nnc3n2CCOC3)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000280524472 1435673217 /nfs/dbraw/zinc/67/32/17/1435673217.db2.gz GCIDPYISDKSKLR-INIZCTEOSA-N 0 0 397.504 3.143 10 10 GGCERN COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H]2CCC[N@@H+]2C)c1=O ZINC000000900079 206290642 /nfs/dbraw/zinc/29/06/42/206290642.db2.gz MHPSUMPGWBYSSV-CYBMUJFWSA-N 0 0 383.400 3.352 10 10 in-vitro GGCERN CCN1c2ccccc2N(CC)C1=CC=C1C(=O)N(CC)C(=S)N(CC)C1=O ZINC000005139675 206292630 /nfs/dbraw/zinc/29/26/30/206292630.db2.gz ZPQXPCFUSWSISP-UHFFFAOYSA-N 0 0 398.532 3.116 10 10 GGCERN CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O ZINC000002075226 206397222 /nfs/dbraw/zinc/39/72/22/206397222.db2.gz HKEXSVHEPUVAPQ-UHFFFAOYSA-N 0 0 376.206 3.319 10 10 GGCERN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000002640031 206425915 /nfs/dbraw/zinc/42/59/15/206425915.db2.gz YTOKFCMZCQOBKF-UHFFFAOYSA-N 0 0 396.403 3.427 10 10 GGCERN O=C(OCc1cc(=O)oc2cc(O)c(O)cc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003348013 206472268 /nfs/dbraw/zinc/47/22/68/206472268.db2.gz MLOWPABYBWYZKB-UHFFFAOYSA-N 0 0 391.719 3.123 10 10 GGCERN Cc1cccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)c1 ZINC000005236046 206600664 /nfs/dbraw/zinc/60/06/64/206600664.db2.gz LBOCEFOBPVJGOG-XNTDXEJSSA-N 0 0 394.481 3.418 10 10 GGCERN COc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(C(C)(C)C)cc3)=N2)cc1 ZINC000006817821 206682258 /nfs/dbraw/zinc/68/22/58/206682258.db2.gz KLGGYKKEWXPNCQ-GOSISDBHSA-N 0 0 379.460 3.340 10 10 GGCERN Cc1cc(/C=C/C(=O)N(C)CC(=O)NCc2ccco2)c(C)n1-c1ccccc1 ZINC000008395128 206751221 /nfs/dbraw/zinc/75/12/21/206751221.db2.gz KVIZJAVFLIWNOR-VAWYXSNFSA-N 0 0 391.471 3.475 10 10 GGCERN CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000013914950 207003620 /nfs/dbraw/zinc/00/36/20/207003620.db2.gz WACIBPZISZOWNC-PDGQHHTCSA-N 0 0 394.427 3.443 10 10 GGCERN O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1CCN1CCOCC1 ZINC000014187272 207013483 /nfs/dbraw/zinc/01/34/83/207013483.db2.gz KHMDKJQFRQASNO-JXAWBTAJSA-N 0 0 384.526 3.373 10 10 GGCERN COc1ccc(N(CCC(N)=O)Cc2ccc(F)cc2Br)cc1 ZINC000014776491 207028820 /nfs/dbraw/zinc/02/88/20/207028820.db2.gz LJEYSJGVPWODHA-UHFFFAOYSA-N 0 0 381.245 3.479 10 10 GGCERN CO[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC(=O)N(Cc2ccccc2)C1 ZINC000014749884 207029197 /nfs/dbraw/zinc/02/91/97/207029197.db2.gz ULDPRWNAPOSING-BWAMLYQTSA-N 0 0 393.531 3.125 10 10 GGCERN CCCCOc1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1OC ZINC000016937819 207080107 /nfs/dbraw/zinc/08/01/07/207080107.db2.gz OBSJFSXSZXKFLM-VBKFSLOCSA-N 0 0 381.519 3.458 10 10 GGCERN CC1CCN(C2=NN3C(=NC(=O)/C(=C/c4c[nH]c5ccccc45)C3=N)S2)CC1 ZINC000020356719 207190459 /nfs/dbraw/zinc/19/04/59/207190459.db2.gz MYMLEMOFVBRDRL-INIXKHHFSA-N 0 0 392.488 3.476 10 10 GGCERN O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/c1ccccc1O ZINC000020413978 207191461 /nfs/dbraw/zinc/19/14/61/207191461.db2.gz YKJBTPWSBZQKBZ-CPNJWEJPSA-N 0 0 397.475 3.319 10 10 GGCERN O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/c1cccc(O)c1 ZINC000020413979 207192230 /nfs/dbraw/zinc/19/22/30/207192230.db2.gz SWMDYGXCPFATRP-CPNJWEJPSA-N 0 0 397.475 3.319 10 10 GGCERN CCOC(=O)c1c(C)oc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c21 ZINC000020575327 207205203 /nfs/dbraw/zinc/20/52/03/207205203.db2.gz FVMQOTDXDRWWPB-UHFFFAOYSA-N 0 0 396.447 3.043 10 10 GGCERN COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Cl)c(Cl)c3)=N2)cc1 ZINC000020849741 207214569 /nfs/dbraw/zinc/21/45/69/207214569.db2.gz YUIONZXFEGKPJC-HNNXBMFYSA-N 0 0 392.242 3.349 10 10 GGCERN CCCCOc1ccc(C(=O)NC2=N[C@@H](c3ccccc3F)CC(=O)N2)cc1 ZINC000020924641 207220223 /nfs/dbraw/zinc/22/02/23/207220223.db2.gz AYZWBEGMBXUKAN-GOSISDBHSA-N 0 0 383.423 3.352 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000021353841 207230261 /nfs/dbraw/zinc/23/02/61/207230261.db2.gz HLCSHMFFPURJEL-UHFFFAOYSA-N 0 0 393.447 3.408 10 10 GGCERN Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)c1 ZINC000021537332 207231591 /nfs/dbraw/zinc/23/15/91/207231591.db2.gz MCANZQVLCWHGQH-UHFFFAOYSA-N 0 0 395.444 3.025 10 10 GGCERN COc1ccc(N2CCN(CCNc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000021630148 207231927 /nfs/dbraw/zinc/23/19/27/207231927.db2.gz GNMKHNZDTKNXFE-UHFFFAOYSA-N 0 0 397.454 3.118 10 10 GGCERN CCOCCCN1C(=O)/C(=C\c2cc3cc(C)ccc3[nH]c2=O)SC1=S ZINC000023053760 207267942 /nfs/dbraw/zinc/26/79/42/207267942.db2.gz HQDINNKRFIROGT-LFIBNONCSA-N 0 0 388.514 3.464 10 10 GGCERN Cc1cc(O)c(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1C(C)C ZINC000025719047 207305420 /nfs/dbraw/zinc/30/54/20/207305420.db2.gz WLAVXTXZILOMOB-UHFFFAOYSA-N 0 0 394.562 3.392 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000027520534 207326140 /nfs/dbraw/zinc/32/61/40/207326140.db2.gz FRVSCJDAILLBNW-VBKFSLOCSA-N 0 0 397.387 3.392 10 10 GGCERN CN1C(=O)/C(=C\c2ccc(C(=O)N(CCO)c3ccccc3)cc2)SC1=S ZINC000027533015 207327031 /nfs/dbraw/zinc/32/70/31/207327031.db2.gz FGACNJYILRCGGC-GHRIWEEISA-N 0 0 398.509 3.157 10 10 GGCERN O=C(Nc1ccc(NC(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1 ZINC000029402463 207362834 /nfs/dbraw/zinc/36/28/34/207362834.db2.gz CYWOCLUTJNEMNK-UHFFFAOYSA-N 0 0 380.356 3.014 10 10 GGCERN Cc1nnc(C(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)s1 ZINC000033011099 207430072 /nfs/dbraw/zinc/43/00/72/207430072.db2.gz GBRWCXLKAYKIFP-UHFFFAOYSA-N 0 0 395.488 3.095 10 10 GGCERN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1 ZINC000032964085 207425710 /nfs/dbraw/zinc/42/57/10/207425710.db2.gz AATLBTVKTKREGH-HRTYCTNXSA-N 0 0 394.416 3.415 10 10 GGCERN CCN(CC)c1ccc(CN(CC2CC2)C(C)=O)c(OS(=O)(=O)CC)c1 ZINC000096292626 208303837 /nfs/dbraw/zinc/30/38/37/208303837.db2.gz PCQHUTCTQNWYSC-UHFFFAOYSA-N 0 0 382.526 3.020 10 10 GGCERN O=C1N=C(N2CCN(Cc3ccc(F)cc3)CC2)S/C1=C/c1cccnc1 ZINC000096854172 208324717 /nfs/dbraw/zinc/32/47/17/208324717.db2.gz LUUCYYASGSEUJB-LDADJPATSA-N 0 0 382.464 3.009 10 10 GGCERN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O ZINC000101124610 208387020 /nfs/dbraw/zinc/38/70/20/208387020.db2.gz NGTXHWMDHFIQIN-BOPFTXTBSA-N 0 0 393.834 3.208 10 10 GGCERN COc1ccc(N2CCN([C@H](CNC(=O)C(C)(C)C)c3cccnc3)CC2)cc1 ZINC000058133936 136154585 /nfs/dbraw/zinc/15/45/85/136154585.db2.gz MKOBLDIBGQQWLO-OAQYLSRUSA-N 0 0 396.535 3.116 10 10 GGCERN CCOc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)ccc32)cc1 ZINC000064979236 136158392 /nfs/dbraw/zinc/15/83/92/136158392.db2.gz PJHMBICQMIKULN-UHFFFAOYSA-N 0 0 377.393 3.164 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1nc2ccccc2o1 ZINC000096912698 136187785 /nfs/dbraw/zinc/18/77/85/136187785.db2.gz GMFDQNIIJWJMLL-KHPPLWFESA-N 0 0 377.444 3.336 10 10 GGCERN O=C(/C=C\c1nc2ccccc2o1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000098055050 136188794 /nfs/dbraw/zinc/18/87/94/136188794.db2.gz BMEGRXBRZRHABT-FPLPWBNLSA-N 0 0 381.407 3.133 10 10 GGCERN CN1CCCc2cc(/C=C\C(=O)OCC(=O)Nc3cccnc3Cl)ccc21 ZINC000098055642 136188833 /nfs/dbraw/zinc/18/88/33/136188833.db2.gz LCCIEOHFWBVTAU-CLFYSBASSA-N 0 0 385.851 3.313 10 10 GGCERN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000261506599 209080112 /nfs/dbraw/zinc/08/01/12/209080112.db2.gz GEDPQKGMHLHFOZ-XYPYZODXSA-N 0 0 379.092 3.310 10 10 in-man GGCERN CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21 ZINC000096942621 536398967 /nfs/dbraw/zinc/39/89/67/536398967.db2.gz RJZJPUPSGQBVNX-KHPPLWFESA-N 0 0 375.388 3.034 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3csc(-c4ccncc4)n3)CC2)cc1 ZINC000062634826 536691622 /nfs/dbraw/zinc/69/16/22/536691622.db2.gz KQTJSRWISGELDB-UHFFFAOYSA-N 0 0 380.473 3.176 10 10 GGCERN COc1ccc(N2CCN(c3nc(C(=O)NCc4ccco4)cs3)CC2)cc1 ZINC000096386304 536702716 /nfs/dbraw/zinc/70/27/16/536702716.db2.gz NTAIHIPBIQRMOB-UHFFFAOYSA-N 0 0 398.488 3.001 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 ZINC000096456602 536703373 /nfs/dbraw/zinc/70/33/73/536703373.db2.gz IUIAWRXJWWCSTD-GMAHTHKFSA-N 0 0 391.515 3.089 10 10 GGCERN C[n+]1ccccc1/C=C1\Sc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-] ZINC000004150829 564201115 /nfs/dbraw/zinc/20/11/15/564201115.db2.gz YGCVKCLOVYOQPU-UHFFFAOYSA-O 0 0 397.929 3.353 10 10 GGCERN CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C(=N)N12 ZINC000004825856 564207433 /nfs/dbraw/zinc/20/74/33/564207433.db2.gz UPFDPPGYMODIHP-XQVAPKGHSA-N 0 0 376.463 3.034 10 10 GGCERN COc1cc(C(=S)N2CCN(c3ccccc3Cl)CC2)cc(O)c1O ZINC000013121809 564274549 /nfs/dbraw/zinc/27/45/49/564274549.db2.gz BUROKOGOWXVRCQ-UHFFFAOYSA-N 0 0 378.881 3.258 10 10 GGCERN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCN(CCn2cccn2)CC1 ZINC000121216501 564359787 /nfs/dbraw/zinc/35/97/87/564359787.db2.gz GVAWVKZQFROJBR-UHFFFAOYSA-N 0 0 383.323 3.492 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000136954606 564856786 /nfs/dbraw/zinc/85/67/86/564856786.db2.gz NTLZCMDGWAZFSQ-ZDUSSCGKSA-N 0 0 378.270 3.346 10 10 GGCERN COc1cc(Br)cc(CN2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457602 564886874 /nfs/dbraw/zinc/88/68/74/564886874.db2.gz FTRKKFCNETUCSS-KRWDZBQOSA-N 0 0 394.265 3.442 10 10 GGCERN C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000369321377 565086384 /nfs/dbraw/zinc/08/63/84/565086384.db2.gz IFCTYKYZRFWPDH-GBNMTWHSSA-N 0 0 386.279 3.070 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCCC(=O)OC ZINC000266669648 565087748 /nfs/dbraw/zinc/08/77/48/565087748.db2.gz AHXHYUKFRPQDPX-UHFFFAOYSA-N 0 0 387.274 3.030 10 10 GGCERN O=C1/C(=C/c2cccc(Cl)c2F)SC(=S)N1CCN1CCOCC1 ZINC000268423992 565151201 /nfs/dbraw/zinc/15/12/01/565151201.db2.gz QUTPZXFPNUESPW-RAXLEYEMSA-N 0 0 386.901 3.013 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000158371171 565167331 /nfs/dbraw/zinc/16/73/31/565167331.db2.gz UNJKJPSIGHZOKR-LLVKDONJSA-N 0 0 395.301 3.349 10 10 GGCERN CN(C)c1ccc(CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1F ZINC000297007588 565350817 /nfs/dbraw/zinc/35/08/17/565350817.db2.gz PMCNEUCIJFUFMK-LBPRGKRZSA-N 0 0 376.379 3.451 10 10 GGCERN CC(C)CN1C(=O)C2(CCCC2)N[C@H]1c1cc(O)cc(Br)c1O ZINC000170650344 565384187 /nfs/dbraw/zinc/38/41/87/565384187.db2.gz RWXQWIYGHGEZLO-OAHLLOKOSA-N 0 0 383.286 3.260 10 10 GGCERN O=C1/C(=C/c2cc(F)cc(Cl)c2)SC(=S)N1CCN1CCOCC1 ZINC000275080601 565392894 /nfs/dbraw/zinc/39/28/94/565392894.db2.gz IPGUJUJFXPSGNN-ZROIWOOFSA-N 0 0 386.901 3.013 10 10 GGCERN CC1(C)CN(C(=O)c2ccoc2CC(N)=O)c2ccc(Br)cc21 ZINC000376156605 565424964 /nfs/dbraw/zinc/42/49/64/565424964.db2.gz IJFKDEZTESZBRO-UHFFFAOYSA-N 0 0 377.238 3.008 10 10 GGCERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)cc(C)c2O)C1 ZINC000190148913 565511873 /nfs/dbraw/zinc/51/18/73/565511873.db2.gz BFMAYFRIKZHSPT-UONOGXRCSA-N 0 0 382.258 3.117 10 10 GGCERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)cc(C)c2O)C1 ZINC000190148890 565511920 /nfs/dbraw/zinc/51/19/20/565511920.db2.gz BFMAYFRIKZHSPT-ZIAGYGMSSA-N 0 0 382.258 3.117 10 10 GGCERN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2=O)n(C)n1 ZINC000173854625 565593634 /nfs/dbraw/zinc/59/36/34/565593634.db2.gz OCQSIPJHVGYBPR-AWEZNQCLSA-N 0 0 383.279 3.026 10 10 GGCERN CCn1cc([C@@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700174 565623097 /nfs/dbraw/zinc/62/30/97/565623097.db2.gz YZERLJYSWIIZLY-INIZCTEOSA-N 0 0 380.286 3.253 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)C1CCC(C(=O)OC)CC1 ZINC000182764637 566223359 /nfs/dbraw/zinc/22/33/59/566223359.db2.gz TVXWOOVGGAPIFP-UHFFFAOYSA-N 0 0 398.297 3.483 10 10 GGCERN COc1ccc(Cl)c2c1N(S(=O)(=O)c1cccc3nsnc31)CCC2 ZINC000590263891 567216510 /nfs/dbraw/zinc/21/65/10/567216510.db2.gz RKVBVVBIGDXNIU-UHFFFAOYSA-N 0 0 395.893 3.495 10 10 GGCERN Oc1cc2c(cc1CN1CCc3ccc(F)c(Br)c3C1)[C@@H](O)CO2 ZINC000527614621 567349409 /nfs/dbraw/zinc/34/94/09/567349409.db2.gz DTGQOHOOMRGTGS-INIZCTEOSA-N 0 0 394.240 3.278 10 10 GGCERN Cn1cc(-c2n[nH]cc2C(=O)N2CC3(CC3)c3ccc(Br)cc32)cn1 ZINC000529823411 567550038 /nfs/dbraw/zinc/55/00/38/567550038.db2.gz XWQQPQGUVJUPJJ-UHFFFAOYSA-N 0 0 398.264 3.265 10 10 GGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048314819 570235124 /nfs/dbraw/zinc/23/51/24/570235124.db2.gz DLFYMRZIBBFWMR-KZNAEPCWSA-N 0 0 384.476 3.275 10 10 GGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048314815 570235181 /nfs/dbraw/zinc/23/51/81/570235181.db2.gz DLFYMRZIBBFWMR-FGTMMUONSA-N 0 0 384.476 3.275 10 10 GGCERN CN(C)c1ccc(CNC(=O)Cn2cc(-c3nnco3)c3ccccc32)cc1 ZINC000035422896 570354815 /nfs/dbraw/zinc/35/48/15/570354815.db2.gz JKYAHLAYSDDVAJ-UHFFFAOYSA-N 0 0 375.432 3.074 10 10 GGCERN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000006290235 570362290 /nfs/dbraw/zinc/36/22/90/570362290.db2.gz YEAZMLHQYOBDME-UHFFFAOYSA-N 0 0 392.411 3.183 10 10 GGCERN CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)c(F)cc32)cc1 ZINC000035462695 570364012 /nfs/dbraw/zinc/36/40/12/570364012.db2.gz CQMIUPYQIZDRBY-UHFFFAOYSA-N 0 0 379.384 3.467 10 10 GGCERN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3coc4ccccc4c3=O)C2=N)S1 ZINC000005035166 570403576 /nfs/dbraw/zinc/40/35/76/570403576.db2.gz DCGYCKQJUCASPU-NYQGWRSHSA-N 0 0 380.429 3.458 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1C ZINC000005394420 570437294 /nfs/dbraw/zinc/43/72/94/570437294.db2.gz JBNSPOAEDLTUGT-AAHMGSRSSA-N 0 0 385.464 3.187 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)N4CCCC4)[C@H]3C2)cc1 ZINC000248126052 570442170 /nfs/dbraw/zinc/44/21/70/570442170.db2.gz HTTYYJMZUFLXAN-JTHBVZDNSA-N 0 0 391.515 3.185 10 10 GGCERN COc1ccc(N2CCN(Cn3nc(-c4cccs4)[nH]c3=S)CC2)cc1 ZINC000006476261 570446365 /nfs/dbraw/zinc/44/63/65/570446365.db2.gz KSRFIMWLKVKEFA-UHFFFAOYSA-N 0 0 387.534 3.457 10 10 GGCERN Cc1cc(CCNC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 ZINC000011085414 570509887 /nfs/dbraw/zinc/50/98/87/570509887.db2.gz FEPYGQXGPTVFEQ-UHFFFAOYSA-N 0 0 396.512 3.470 10 10 GGCERN Cc1nn(C)cc1NC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000369878483 570512693 /nfs/dbraw/zinc/51/26/93/570512693.db2.gz RLHNFBPSFIVNRN-ZDUSSCGKSA-N 0 0 397.401 3.275 10 10 GGCERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 ZINC000072304337 570515001 /nfs/dbraw/zinc/51/50/01/570515001.db2.gz QGWTUOBZKOEHMO-IBGZPJMESA-N 0 0 382.485 3.390 10 10 GGCERN CCN(CC)c1ccc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000033162014 570521012 /nfs/dbraw/zinc/52/10/12/570521012.db2.gz HXDSACRPMXTHAP-JXAWBTAJSA-N 0 0 376.485 3.212 10 10 GGCERN CN(C)c1ccc(CNC(=O)CC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000032974128 570562620 /nfs/dbraw/zinc/56/26/20/570562620.db2.gz SOIAXUAVDCRQFB-UHFFFAOYSA-N 0 0 379.504 3.311 10 10 GGCERN CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(OC)cc1OC ZINC000013496219 570576986 /nfs/dbraw/zinc/57/69/86/570576986.db2.gz VDRSWMPVUVGRTD-PDGQHHTCSA-N 0 0 394.427 3.443 10 10 GGCERN CCn1c2ccccc2c2nnc(N3CCN(c4ccc(OC)cc4)CC3)nc21 ZINC000006781667 570589157 /nfs/dbraw/zinc/58/91/57/570589157.db2.gz VYGVFKKJUWKANS-UHFFFAOYSA-N 0 0 388.475 3.335 10 10 GGCERN COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(C(C)(C)C)cc3)=N2)cc1 ZINC000006817818 570620767 /nfs/dbraw/zinc/62/07/67/570620767.db2.gz KLGGYKKEWXPNCQ-SFHVURJKSA-N 0 0 379.460 3.340 10 10 GGCERN Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000005635795 570677505 /nfs/dbraw/zinc/67/75/05/570677505.db2.gz SHLGIFWIGQHMRY-UHFFFAOYSA-N 0 0 392.411 3.183 10 10 GGCERN CCCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c2cccnc21 ZINC000065216829 570734560 /nfs/dbraw/zinc/73/45/60/570734560.db2.gz DCNSDQPAJZZJNC-UHFFFAOYSA-N 0 0 378.476 3.213 10 10 GGCERN Cc1cc(C(=O)OCc2nn3c(nc(C)cc3=O)s2)c(C)n1-c1ccccc1 ZINC000007114355 570790819 /nfs/dbraw/zinc/79/08/19/570790819.db2.gz SCMYYGZPYBPUEP-UHFFFAOYSA-N 0 0 394.456 3.224 10 10 GGCERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1 ZINC000033071904 570803719 /nfs/dbraw/zinc/80/37/19/570803719.db2.gz FXLMXOXYLNSVQK-KRWDZBQOSA-N 0 0 377.492 3.162 10 10 GGCERN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012533478 570834899 /nfs/dbraw/zinc/83/48/99/570834899.db2.gz HYUPMDUCMQFVRD-UHFFFAOYSA-N 0 0 399.447 3.102 10 10 GGCERN CN(C)c1ccc(CN(C)C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000012562493 570866626 /nfs/dbraw/zinc/86/66/26/570866626.db2.gz DTWMIGDWKYVUFZ-UHFFFAOYSA-N 0 0 380.492 3.443 10 10 GGCERN CCNc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000012563549 570869044 /nfs/dbraw/zinc/86/90/44/570869044.db2.gz YLJPYIWEMFEUBC-UHFFFAOYSA-N 0 0 398.463 3.135 10 10 GGCERN CNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)C1 ZINC000033264603 570883263 /nfs/dbraw/zinc/88/32/63/570883263.db2.gz ZITWACAAWVNUPS-HXUWFJFHSA-N 0 0 394.519 3.201 10 10 GGCERN Cc1cc(C(=O)NCC2(O)CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000170636146 570934197 /nfs/dbraw/zinc/93/41/97/570934197.db2.gz INIQZJVYPPURRF-UHFFFAOYSA-N 0 0 384.476 3.290 10 10 GGCERN Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2ccccc2O)nn1-c1ccccc1F ZINC000084072154 570995175 /nfs/dbraw/zinc/99/51/75/570995175.db2.gz MMGLEMSXUPVEEU-AWEZNQCLSA-N 0 0 381.407 3.219 10 10 GGCERN CC(C)=C1c2cc(S(=O)(=O)NCc3ccc(N(C)C)cc3)ccc2N(C)C1=O ZINC000046053935 571015652 /nfs/dbraw/zinc/01/56/52/571015652.db2.gz OLHPPFTXLMQZMQ-UHFFFAOYSA-N 0 0 399.516 3.001 10 10 GGCERN COc1ccc(N2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000053164551 1406312808 /nfs/dbraw/zinc/31/28/08/1406312808.db2.gz DYSDPPJNFAXJDP-UHFFFAOYSA-N 0 0 377.444 3.242 10 10 GGCERN CCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC)C1=O ZINC000001806106 1398302944 /nfs/dbraw/zinc/30/29/44/1398302944.db2.gz WOTVTWKKGNAMHB-JLHYYAGUSA-N 0 0 388.518 3.046 10 10 GGCERN CN(C)c1ccc(CNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008172132 1398810612 /nfs/dbraw/zinc/81/06/12/1398810612.db2.gz ILDMZAXXYZXVHN-UHFFFAOYSA-N 0 0 397.563 3.482 10 10 GGCERN Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000008687958 1398843569 /nfs/dbraw/zinc/84/35/69/1398843569.db2.gz YHVNCMXSOYCCJG-UHFFFAOYSA-N 0 0 378.428 3.439 10 10 aggregator GGCERN COc1ccc(N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc43)CC2)cc1 ZINC000048370423 1405167137 /nfs/dbraw/zinc/16/71/37/1405167137.db2.gz AMHWYBPUMVZYDH-UHFFFAOYSA-N 0 0 394.450 3.357 10 10 GGCERN COc1ccc(N2CCN(Cn3nc(-c4ccccc4)n(C)c3=S)CC2)cc1 ZINC000057395203 1407606585 /nfs/dbraw/zinc/60/65/85/1407606585.db2.gz AUFKTSNBTHAZHS-UHFFFAOYSA-N 0 0 395.532 3.406 10 10 GGCERN COc1ccc(N2CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000057547961 1407646411 /nfs/dbraw/zinc/64/64/11/1407646411.db2.gz DOPJMFRQNRZLIA-UHFFFAOYSA-N 0 0 391.418 3.057 10 10 GGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000063351931 1408342581 /nfs/dbraw/zinc/34/25/81/1408342581.db2.gz DTCXCQZFLQYVAG-VXKWHMMOSA-N 0 0 397.494 3.390 10 10 GGCERN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000066313687 1408810103 /nfs/dbraw/zinc/81/01/03/1408810103.db2.gz ADVXOPHASPRFRD-IBGZPJMESA-N 0 0 381.520 3.254 10 10 GGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067560717 1409163321 /nfs/dbraw/zinc/16/33/21/1409163321.db2.gz DTCXCQZFLQYVAG-YADHBBJMSA-N 0 0 397.494 3.390 10 10 GGCERN Cc1cc(C(=O)Nc2cc(Br)c[nH]c2=O)c(C)n1-c1ccccn1 ZINC000067937761 1409260655 /nfs/dbraw/zinc/26/06/55/1409260655.db2.gz DMESMTABDDWOKN-UHFFFAOYSA-N 0 0 387.237 3.192 10 10 GGCERN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1 ZINC000079075840 1409954743 /nfs/dbraw/zinc/95/47/43/1409954743.db2.gz WAUKEDMKJHQSBG-UHFFFAOYSA-N 0 0 389.351 3.307 10 10 GGCERN [O-]c1c(Br)cccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016173 1410216497 /nfs/dbraw/zinc/21/64/97/1410216497.db2.gz FNYDYXMCXHVPDO-UHFFFAOYSA-N 0 0 382.327 3.319 10 10 GGCERN CN(C)c1ccc(/C=C/C(=O)N2CCN(C(=O)/C=C\c3cccs3)CC2)cc1 ZINC000098007845 1410394121 /nfs/dbraw/zinc/39/41/21/1410394121.db2.gz LGUBVDWFNQSGKA-LBNSGORRSA-N 0 0 395.528 3.212 10 10 GGCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000098052752 1410404101 /nfs/dbraw/zinc/40/41/01/1410404101.db2.gz PRCQOGYRWGEFBQ-DZFYGRHCSA-N 0 0 399.451 3.337 10 10 GGCERN CCc1nc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)sc1C ZINC000109762055 1411808234 /nfs/dbraw/zinc/80/82/34/1411808234.db2.gz GVAYINBHQSFIDV-INIZCTEOSA-N 0 0 389.521 3.339 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000124168304 1414899187 /nfs/dbraw/zinc/89/91/87/1414899187.db2.gz CRCABBLBUDAGFX-UHFFFAOYSA-N 0 0 380.370 3.463 10 10 GGCERN CCN(Cc1cccc(F)c1)C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125680667 1415253251 /nfs/dbraw/zinc/25/32/51/1415253251.db2.gz BKSJDFWJLNLYLT-UHFFFAOYSA-N 0 0 390.455 3.336 10 10 GGCERN CCc1ccc(CNC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000125764506 1415273982 /nfs/dbraw/zinc/27/39/82/1415273982.db2.gz GCWNHYPKHQVUIS-UHFFFAOYSA-N 0 0 378.494 3.089 10 10 GGCERN COc1ccc(N2CCN(Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)cc1 ZINC000135096684 1417172129 /nfs/dbraw/zinc/17/21/29/1417172129.db2.gz FEWFOLYTIBXRMP-UHFFFAOYSA-N 0 0 386.402 3.346 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)c(OC)c1 ZINC000143468319 1417635250 /nfs/dbraw/zinc/63/52/50/1417635250.db2.gz PXZAATXFBKSOHO-UHFFFAOYSA-N 0 0 385.464 3.375 10 10 GGCERN CS(=O)(=O)c1cccc([C@@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2)c1 ZINC000159830087 1424541043 /nfs/dbraw/zinc/54/10/43/1424541043.db2.gz YHVGPKQGZJEHNG-QFIPXVFZSA-N 0 0 394.496 3.121 10 10 GGCERN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)CCO4)cc2)CC1 ZINC000171774570 1425817225 /nfs/dbraw/zinc/81/72/25/1425817225.db2.gz DBKVRJVPHJCZPT-UHFFFAOYSA-N 0 0 393.487 3.113 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3c(Cl)n(C)nc3C(C)C)CC2)cc1 ZINC000172706848 1426152812 /nfs/dbraw/zinc/15/28/12/1426152812.db2.gz AKOSZKTZNYUZNN-UHFFFAOYSA-N 0 0 376.888 3.168 10 10 GGCERN COc1ccc(N2CCN(C(=O)C[C@H](C)C(=O)c3cccc(F)c3)CC2)cc1 ZINC000173617155 1426797890 /nfs/dbraw/zinc/79/78/90/1426797890.db2.gz GJGLGLZTEJEUQB-INIZCTEOSA-N 0 0 384.451 3.392 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccn(-c4ccc(F)cc4C)n3)CC2)cc1 ZINC000181993621 1430393095 /nfs/dbraw/zinc/39/30/95/1430393095.db2.gz IBNRQNVEOUDROP-UHFFFAOYSA-N 0 0 394.450 3.291 10 10 GGCERN COC(=O)/C=C\c1ccc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000221820604 1433366113 /nfs/dbraw/zinc/36/61/13/1433366113.db2.gz DXUGNKDDCMIEIL-HMZQOCAUSA-N 0 0 398.419 3.425 10 10 GGCERN COc1ccc(N2CCN(C(=O)NCCCc3ccccc3)CC2)c(OC)c1 ZINC000243062646 1433448376 /nfs/dbraw/zinc/44/83/76/1433448376.db2.gz IJGZWLIDZGPDIG-UHFFFAOYSA-N 0 0 383.492 3.168 10 10 GGCERN C[C@@H]1CN(c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267913393 1434476370 /nfs/dbraw/zinc/47/63/70/1434476370.db2.gz GBDLRVZNTQMSIM-GASCZTMLSA-N 0 0 385.464 3.076 10 10 GGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000275639360 1435155428 /nfs/dbraw/zinc/15/54/28/1435155428.db2.gz CFVXNVDKSQMYLH-UHFFFAOYSA-N 0 0 381.476 3.063 10 10 GGCERN Cc1cc(C(=O)N2CC[C@](O)(c3nc(C4CC4)no3)C2)c(C)n1-c1ccccc1 ZINC000277936883 1435343839 /nfs/dbraw/zinc/34/38/39/1435343839.db2.gz HUFDZSCMGJTPIS-JOCHJYFZSA-N 0 0 392.459 3.088 10 10 GGCERN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756382004 1126108221 /nfs/dbraw/zinc/10/82/21/1126108221.db2.gz XWCLUTZLCLTMBE-IBGZPJMESA-N 0 0 392.858 3.101 10 10 GGCERN COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC001560182169 1126208387 /nfs/dbraw/zinc/20/83/87/1126208387.db2.gz FKHIRPSMJZKERW-FQEVSTJZSA-N 0 0 377.868 3.340 10 10 GGCERN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(=O)c2ccnn2C)c1 ZINC000017078805 210202706 /nfs/dbraw/zinc/20/27/06/210202706.db2.gz PFCFQJOGPDWPQW-RGEXLXHISA-N 0 0 386.411 3.445 10 10 GGCERN COc1ccc(N2CCN(C(=O)CSc3cnc4ccccc4n3)CC2)cc1 ZINC000012761252 210003958 /nfs/dbraw/zinc/00/39/58/210003958.db2.gz HUUJDMMKHZZURA-UHFFFAOYSA-N 0 0 394.500 3.079 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccn1 ZINC000009379092 209826747 /nfs/dbraw/zinc/82/67/47/209826747.db2.gz NHEIXUGIEQRMMA-FPTDNZKUSA-N 0 0 394.475 3.173 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1C ZINC000005394423 209592574 /nfs/dbraw/zinc/59/25/74/209592574.db2.gz JBNSPOAEDLTUGT-OWVIKCAUSA-N 0 0 385.464 3.187 10 10 GGCERN COc1ccc(-n2cccc2/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1 ZINC000004909289 209542581 /nfs/dbraw/zinc/54/25/81/209542581.db2.gz HXTGINGPVWYKOP-WOSMYTDYSA-N 0 0 397.485 3.426 10 10 GGCERN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003564318 209444106 /nfs/dbraw/zinc/44/41/06/209444106.db2.gz LWADVZZRPHSHOH-UHFFFAOYSA-N 0 0 396.399 3.467 10 10 GGCERN COC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccccc3OC)C2=O)cc1 ZINC000003272910 209420348 /nfs/dbraw/zinc/42/03/48/209420348.db2.gz ZJQIPAFHIIYENZ-INIZCTEOSA-N 0 0 386.429 3.115 10 10 GGCERN CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000002640391 209373665 /nfs/dbraw/zinc/37/36/65/209373665.db2.gz COKGTUKELYGCKF-HNNXBMFYSA-N 0 0 381.428 3.070 10 10 GGCERN CN(C)c1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 ZINC000096892200 209241819 /nfs/dbraw/zinc/24/18/19/209241819.db2.gz YACWZSCWHRWWQN-XMHGGMMESA-N 0 0 375.428 3.224 10 10 GGCERN Cc1ccc(C(=O)CSc2nnc3nc(NC(C)C)nc(NC(C)C)n32)cc1 ZINC000027300272 211798774 /nfs/dbraw/zinc/79/87/74/211798774.db2.gz SLNAIPGGZQBMRO-UHFFFAOYSA-N 0 0 399.524 3.443 10 10 GGCERN COc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000001263081 211503938 /nfs/dbraw/zinc/50/39/38/211503938.db2.gz HKDOPBVQHJYUFD-LFIBNONCSA-N 0 0 384.482 3.170 10 10 GGCERN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100570874 211388226 /nfs/dbraw/zinc/38/82/26/211388226.db2.gz AQRGBVQAGJFPIC-XNTDXEJSSA-N 0 0 396.363 3.035 10 10 GGCERN COc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccccc4)co3)CC2)cc1 ZINC000034684275 210660911 /nfs/dbraw/zinc/66/09/11/210660911.db2.gz MPARRDPNMDZQLG-UHFFFAOYSA-N 0 0 392.459 3.258 10 10 GGCERN COc1ccc(N2CCN(c3nc(-c4cccc(OC)c4OC)no3)CC2)cc1 ZINC000021630860 210387335 /nfs/dbraw/zinc/38/73/35/210387335.db2.gz ADJMKSDGOWCBSS-UHFFFAOYSA-N 0 0 396.447 3.089 10 10 GGCERN Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Br)cc3)=N2)cc1 ZINC000020924328 210368686 /nfs/dbraw/zinc/36/86/86/210368686.db2.gz ONZMYEPBPBXRJF-HNNXBMFYSA-N 0 0 386.249 3.105 10 10 GGCERN Cc1cccc(C(=O)NC2=N[C@H](c3ccc(Br)cc3)CC(=O)N2)c1 ZINC000020924525 210368810 /nfs/dbraw/zinc/36/88/10/210368810.db2.gz FXBAYXJYECIBHT-HNNXBMFYSA-N 0 0 386.249 3.105 10 10 GGCERN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000020603933 210351008 /nfs/dbraw/zinc/35/10/08/210351008.db2.gz OQIZSDZUYLWNSD-FQEVSTJZSA-N 0 0 387.911 3.209 10 10 GGCERN O=C(CCCOc1ccccc1)NC1=N[C@H](c2ccccc2Cl)CC(=O)N1 ZINC000020530833 210344292 /nfs/dbraw/zinc/34/42/92/210344292.db2.gz DUJHYSTUKUMBDN-KRWDZBQOSA-N 0 0 385.851 3.232 10 10 GGCERN Cc1ccc(C(=O)NC2=N[C@H](c3ccc(Br)cc3)CC(=O)N2)cc1 ZINC000020530701 210342879 /nfs/dbraw/zinc/34/28/79/210342879.db2.gz BZKHTBHHNHPBNK-HNNXBMFYSA-N 0 0 386.249 3.105 10 10 GGCERN CSc1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 ZINC000020356497 210329953 /nfs/dbraw/zinc/32/99/53/210329953.db2.gz POPIURLAVAESCH-PCKMFZADSA-N 0 0 385.518 3.471 10 10 GGCERN O=C(/C=C/c1nc2ccccc2o1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055523304 132446084 /nfs/dbraw/zinc/44/60/84/132446084.db2.gz BMEGRXBRZRHABT-BQYQJAHWSA-N 0 0 381.407 3.133 10 10 GGCERN CCc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000056101848 132447198 /nfs/dbraw/zinc/44/71/98/132447198.db2.gz OSGADWUQOJYQEC-UHFFFAOYSA-N 0 0 382.576 3.342 10 10 GGCERN CCOc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000064979193 136158410 /nfs/dbraw/zinc/15/84/10/136158410.db2.gz YPPWJVWBVQTHHY-UHFFFAOYSA-N 0 0 377.393 3.164 10 10 GGCERN COC(=O)C1=CN(c2ccccc2)c2cc(Br)ccc2S1(=O)=O ZINC000064979260 136158436 /nfs/dbraw/zinc/15/84/36/136158436.db2.gz PZFFEWDZSWJXAE-UHFFFAOYSA-N 0 0 394.246 3.389 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cc(-c4ccncc4)cn3C)CC2)cc1 ZINC000065209736 136160010 /nfs/dbraw/zinc/16/00/10/136160010.db2.gz LBLGYIJNFODELH-UHFFFAOYSA-N 0 0 376.460 3.058 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000095406125 136179103 /nfs/dbraw/zinc/17/91/03/136179103.db2.gz DXUGNKDDCMIEIL-BOSPYUDASA-N 0 0 398.419 3.425 10 10 GGCERN Cc1cc(N2CC=C(c3cncc(F)c3)CC2)n2nc(C(F)(F)F)nc2n1 ZINC000095468682 136179450 /nfs/dbraw/zinc/17/94/50/136179450.db2.gz HEXFABITUFSRFI-UHFFFAOYSA-N 0 0 378.333 3.279 10 10 GGCERN Cc1cc(/C=C\C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 ZINC000096859822 136187603 /nfs/dbraw/zinc/18/76/03/136187603.db2.gz FGVLACHKAMFJRW-KTKRTIGZSA-N 0 0 387.487 3.246 10 10 GGCERN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000096878994 136187723 /nfs/dbraw/zinc/18/77/23/136187723.db2.gz VCOVBJKULRAYCU-FLIBITNWSA-N 0 0 391.519 3.219 10 10 GGCERN CCCCN(C)C(=O)c1csc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000096386297 535211867 /nfs/dbraw/zinc/21/18/67/535211867.db2.gz YNVFSXCFSVIZDQ-UHFFFAOYSA-N 0 0 388.537 3.350 10 10 GGCERN COc1ccc(N2CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058158692 536693772 /nfs/dbraw/zinc/69/37/72/536693772.db2.gz PKRGJOZUJUGACA-UHFFFAOYSA-N 0 0 393.409 3.475 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000136954562 564856384 /nfs/dbraw/zinc/85/63/84/564856384.db2.gz NTLZCMDGWAZFSQ-CYBMUJFWSA-N 0 0 378.270 3.346 10 10 GGCERN Nc1ccc(CCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000152495158 564961740 /nfs/dbraw/zinc/96/17/40/564961740.db2.gz GTZPJXVACOQCAR-INIZCTEOSA-N 0 0 375.881 3.084 10 10 GGCERN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000369321379 565087050 /nfs/dbraw/zinc/08/70/50/565087050.db2.gz IFCTYKYZRFWPDH-YMNVWFMLSA-N 0 0 386.279 3.070 10 10 GGCERN COCC(=O)N1CCc2c1cccc2NCc1cc(Br)ccc1O ZINC000184132749 565116455 /nfs/dbraw/zinc/11/64/55/565116455.db2.gz WCPRQMWYKXDGOR-UHFFFAOYSA-N 0 0 391.265 3.302 10 10 GGCERN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293504633 565171556 /nfs/dbraw/zinc/17/15/56/565171556.db2.gz ADQVOWDOQJGCPM-NSHDSACASA-N 0 0 386.876 3.286 10 10 GGCERN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185995604 565233960 /nfs/dbraw/zinc/23/39/60/565233960.db2.gz MUEOMZZAQXONNK-MWLCHTKSSA-N 0 0 383.265 3.113 10 10 GGCERN C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186051148 565237268 /nfs/dbraw/zinc/23/72/68/565237268.db2.gz LSJFAGHEYBWCNE-YPMHNXCESA-N 0 0 395.276 3.403 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C2CC2)nc1 ZINC000295277374 565256785 /nfs/dbraw/zinc/25/67/85/565256785.db2.gz LWYYDQVNVCPVOQ-UHFFFAOYSA-N 0 0 376.254 3.484 10 10 GGCERN COc1cc(Br)cc(CN[C@H](C)c2nnc3n2CCCCC3)c1O ZINC000376496227 565438233 /nfs/dbraw/zinc/43/82/33/565438233.db2.gz VOMNWEGLWDDKJH-LLVKDONJSA-N 0 0 395.301 3.332 10 10 GGCERN CN(Cc1csc(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301709690 565506530 /nfs/dbraw/zinc/50/65/30/565506530.db2.gz XBGNXOXVXLFVNP-UHFFFAOYSA-N 0 0 398.238 3.386 10 10 GGCERN O=C1COc2cc([N+](=O)[O-])c(N3Cc4cccc(Br)c4C3)cc2N1 ZINC000302250394 565538175 /nfs/dbraw/zinc/53/81/75/565538175.db2.gz MSMLVPKNHRHSSC-UHFFFAOYSA-N 0 0 390.193 3.208 10 10 GGCERN COc1cc(C[NH2+]Cc2cccc(Br)c2[O-])cc2c1OCCO2 ZINC000278410678 565556443 /nfs/dbraw/zinc/55/64/43/565556443.db2.gz PVQKHZFXQCKTFC-UHFFFAOYSA-N 0 0 380.238 3.224 10 10 GGCERN CC1(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])OCCCO1 ZINC000190839103 565563321 /nfs/dbraw/zinc/56/33/21/565563321.db2.gz ODGMANAYXVTSRB-UHFFFAOYSA-N 0 0 395.091 3.160 10 10 GGCERN Fc1cc(CNCc2ncc(C(F)(F)F)s2)ccc1N1CCOCC1 ZINC000278650662 565570473 /nfs/dbraw/zinc/57/04/73/565570473.db2.gz MIEPXQMYSIKMRM-UHFFFAOYSA-N 0 0 375.391 3.427 10 10 GGCERN Cn1ncc(Br)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279424977 565612149 /nfs/dbraw/zinc/61/21/49/565612149.db2.gz GFPNUECDRBFRQA-AWEZNQCLSA-N 0 0 380.286 3.069 10 10 GGCERN Cn1ncc(Br)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279424979 565612182 /nfs/dbraw/zinc/61/21/82/565612182.db2.gz GFPNUECDRBFRQA-CQSZACIVSA-N 0 0 380.286 3.069 10 10 GGCERN CCn1cc([C@H]2CN(Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700187 565622917 /nfs/dbraw/zinc/62/29/17/565622917.db2.gz YZERLJYSWIIZLY-MRXNPFEDSA-N 0 0 380.286 3.253 10 10 GGCERN C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1 ZINC000285401611 565905492 /nfs/dbraw/zinc/90/54/92/565905492.db2.gz IJKLIRWUQNTCCH-MRXNPFEDSA-N 0 0 381.226 3.060 10 10 GGCERN O=C(c1ccnc2c1CC(=O)N2)N1CC2(CC2)c2ccc(Br)cc21 ZINC000628659357 566572623 /nfs/dbraw/zinc/57/26/23/566572623.db2.gz HNMPWRYEVDSOOR-UHFFFAOYSA-N 0 0 384.233 3.031 10 10 GGCERN NC(=O)c1ncc(Br)cc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000472505360 567033068 /nfs/dbraw/zinc/03/30/68/567033068.db2.gz SOGMATRLJKZGGW-UHFFFAOYSA-N 0 0 398.264 3.113 10 10 GGCERN CC(C)c1nn(C)c(Cl)c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000048748793 570254386 /nfs/dbraw/zinc/25/43/86/570254386.db2.gz KFPSTRMASVRKRB-UHFFFAOYSA-N 0 0 380.895 3.462 10 10 GGCERN CCC(NCCc1c[nH]cn1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000101771917 570285143 /nfs/dbraw/zinc/28/51/43/570285143.db2.gz LBPXSOPOKYBZBT-SAPNQHFASA-N 0 0 380.477 3.238 10 10 GGCERN COC(=O)CC1=NN(c2ccccc2Cl)C(=O)C1=C(C)NCc1ccccn1 ZINC000102405148 570288866 /nfs/dbraw/zinc/28/88/66/570288866.db2.gz VXKABQWDAVPRNP-CPNJWEJPSA-N 0 0 398.850 3.065 10 10 GGCERN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(C)C ZINC000004825843 570294318 /nfs/dbraw/zinc/29/43/18/570294318.db2.gz XLLODJNDDIBESR-WGAGLLEQSA-N 0 0 390.490 3.422 10 10 GGCERN CCC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1 ZINC000004909018 570361765 /nfs/dbraw/zinc/36/17/65/570361765.db2.gz YBKUEZRRDJBIFU-HRTYCTNXSA-N 0 0 394.416 3.415 10 10 GGCERN CCCN1Cc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2C1=O ZINC000004920194 570366403 /nfs/dbraw/zinc/36/64/03/570366403.db2.gz GYFJXPGEVXSABR-UHFFFAOYSA-N 0 0 393.487 3.023 10 10 GGCERN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N2O1 ZINC000005013815 570395760 /nfs/dbraw/zinc/39/57/60/570395760.db2.gz CNNOQHUJZXBCNS-GJXXPDGXSA-N 0 0 391.358 3.495 10 10 GGCERN COc1ccc(N2CCN(C(=O)C3=C(C)C(=O)OC34CCCCCC4)CC2)cc1 ZINC000006899673 570411346 /nfs/dbraw/zinc/41/13/46/570411346.db2.gz JLHWEWSMFDSYBE-UHFFFAOYSA-N 0 0 398.503 3.310 10 10 GGCERN O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(N2CCSCC2)cc1 ZINC000054035672 570437452 /nfs/dbraw/zinc/43/74/52/570437452.db2.gz GPVNFCCGGXBFMZ-UHFFFAOYSA-N 0 0 384.501 3.218 10 10 GGCERN CCN(CC)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 ZINC000031792528 570506237 /nfs/dbraw/zinc/50/62/37/570506237.db2.gz WJLSUMKZPXUAKY-QFIPXVFZSA-N 0 0 384.476 3.389 10 10 GGCERN COc1cc(NC=C2C(C)=NN(c3nc4ccccc4[nH]3)C2=O)cc(OC)c1 ZINC000008657230 570536411 /nfs/dbraw/zinc/53/64/11/570536411.db2.gz QLLUMYBDMKJSED-WJDWOHSUSA-N 0 0 377.404 3.299 10 10 GGCERN CCN(CC)c1ccc(CN(C(=O)CC(C)C)C2CC2)c(OS(C)(=O)=O)c1 ZINC000006709588 570546102 /nfs/dbraw/zinc/54/61/02/570546102.db2.gz QSXUEHUMPKRLAI-UHFFFAOYSA-N 0 0 396.553 3.408 10 10 GGCERN COc1ccc(N2CCCN(S(=O)(=O)c3cccc4ncccc43)CC2)cc1 ZINC000225525749 570583923 /nfs/dbraw/zinc/58/39/23/570583923.db2.gz KSVRASBCOKIVDB-UHFFFAOYSA-N 0 0 397.500 3.144 10 10 GGCERN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1-n1nnc2cccnc21 ZINC000064925661 570594869 /nfs/dbraw/zinc/59/48/69/570594869.db2.gz FNPZOGBDBGKWJW-UHFFFAOYSA-N 0 0 386.459 3.120 10 10 GGCERN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 ZINC000005482471 570610628 /nfs/dbraw/zinc/61/06/28/570610628.db2.gz PYIVAQIHFMFTAY-IBGZPJMESA-N 0 0 396.516 3.193 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@H](CC(C)C)C3=O)c2C)cc1 ZINC000006830398 570629198 /nfs/dbraw/zinc/62/91/98/570629198.db2.gz NDMGTDREIIMWOY-IBGZPJMESA-N 0 0 397.475 3.252 10 10 GGCERN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000004470135 570790812 /nfs/dbraw/zinc/79/08/12/570790812.db2.gz MAOKMVOBYWHCBK-XNTDXEJSSA-N 0 0 394.481 3.418 10 10 GGCERN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000005824185 570794685 /nfs/dbraw/zinc/79/46/85/570794685.db2.gz UGTVCBMQMACFEX-RQZCQDPDSA-N 0 0 393.395 3.301 10 10 GGCERN Cc1cc(C)n(CCCNC(=O)CSc2ncc(-c3ccccc3)n2C)n1 ZINC000007131093 570802609 /nfs/dbraw/zinc/80/26/09/570802609.db2.gz QVVWQAAFWFIHFU-UHFFFAOYSA-N 0 0 383.521 3.199 10 10 GGCERN COc1ccc(N(CCC(N)=O)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000012544145 570844513 /nfs/dbraw/zinc/84/45/13/570844513.db2.gz PYSLOZWKGDJVHG-UHFFFAOYSA-N 0 0 386.839 3.281 10 10 GGCERN COc1ccc(N(Cc2ccc(C(N)=O)cc2)Cc2ccc(C(N)=O)cc2)cc1 ZINC000032873651 570870761 /nfs/dbraw/zinc/87/07/61/570870761.db2.gz GVOSWPYHSIWNKB-UHFFFAOYSA-N 0 0 389.455 3.100 10 10 GGCERN COC(=O)C=C(C)Nc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1 ZINC000103839884 570889310 /nfs/dbraw/zinc/88/93/10/570889310.db2.gz USHVASGKGUJVPB-HGEILNGLSA-N 0 0 376.416 3.009 10 10 GGCERN COC(=O)C=C(C)Nc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1 ZINC000103839887 570889577 /nfs/dbraw/zinc/88/95/77/570889577.db2.gz USHVASGKGUJVPB-CPWRVNHJSA-N 0 0 376.416 3.009 10 10 GGCERN Cc1cc(C(=O)CN2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000053283312 1406354634 /nfs/dbraw/zinc/35/46/34/1406354634.db2.gz ABXPXGDWQIOHGO-UHFFFAOYSA-N 0 0 394.519 3.075 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccccc1F ZINC000003303590 1398333665 /nfs/dbraw/zinc/33/36/65/1398333665.db2.gz UIFVDCHRXIUYTE-KRWDZBQOSA-N 0 0 385.439 3.382 10 10 GGCERN Cc1ccc(NC(=O)NC2=NN(c3ccccc3)C(=O)/C2=C2/CCCN2C)cc1 ZINC000003369701 1398338624 /nfs/dbraw/zinc/33/86/24/1398338624.db2.gz CHEDPJDTJOZOCZ-HNENSFHCSA-N 0 0 389.459 3.457 10 10 GGCERN Cc1cc(C(=O)COC(=O)c2ccccn2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003507541 1398359900 /nfs/dbraw/zinc/35/99/00/1398359900.db2.gz PIWOWOYFTFMWFC-UHFFFAOYSA-N 0 0 378.384 3.258 10 10 GGCERN COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc2c1OCCO2 ZINC000007166216 1398614572 /nfs/dbraw/zinc/61/45/72/1398614572.db2.gz OUNKQKGWZKQGSD-DHDCSXOGSA-N 0 0 386.454 3.267 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c(OC)c1 ZINC000008675172 1398843715 /nfs/dbraw/zinc/84/37/15/1398843715.db2.gz LNPJEYGXNRLVJJ-UHFFFAOYSA-N 0 0 377.391 3.336 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccccn1 ZINC000009379095 1398857870 /nfs/dbraw/zinc/85/78/70/1398857870.db2.gz NHEIXUGIEQRMMA-JLCFBVMHSA-N 0 0 394.475 3.173 10 10 GGCERN COc1ccc(N2CCN(CC(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000055531140 1406992358 /nfs/dbraw/zinc/99/23/58/1406992358.db2.gz FFSLQLOSMNQWBB-HSZRJFAPSA-N 0 0 393.531 3.353 10 10 GGCERN COc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@H](c3ccccc3O)C2)cc1 ZINC000015830325 1399196579 /nfs/dbraw/zinc/19/65/79/1399196579.db2.gz UDASNTSJPRSYNX-NRFANRHFSA-N 0 0 393.487 3.263 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000027520515 1400050360 /nfs/dbraw/zinc/05/03/60/1400050360.db2.gz MMQKRWGVTILYKV-BOPFTXTBSA-N 0 0 397.387 3.392 10 10 GGCERN COc1ccc(N2CCN(Cn3nc(-c4ccoc4C)n(C)c3=S)CC2)cc1 ZINC000043564124 1403785172 /nfs/dbraw/zinc/78/51/72/1403785172.db2.gz DEYMGKDYPUHWGD-UHFFFAOYSA-N 0 0 399.520 3.308 10 10 GGCERN COC(=O)Nc1cccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000047710842 1404897899 /nfs/dbraw/zinc/89/78/99/1404897899.db2.gz FXXUNXPQEAOGMG-UHFFFAOYSA-N 0 0 384.436 3.228 10 10 GGCERN Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccccc1C ZINC000065576728 1408693424 /nfs/dbraw/zinc/69/34/24/1408693424.db2.gz CHOKUKFCLGURQM-UHFFFAOYSA-N 0 0 380.492 3.032 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCCC[C@@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000079076492 1409954914 /nfs/dbraw/zinc/95/49/14/1409954914.db2.gz PLPGZORWLYNBQF-PXUDHTSWSA-N 0 0 389.452 3.055 10 10 GGCERN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)c1c(F)cccc1C(N)=O ZINC000095468120 1410313543 /nfs/dbraw/zinc/31/35/43/1410313543.db2.gz HIEYCPMAPIZJKY-OUKQBFOZSA-N 0 0 392.434 3.403 10 10 GGCERN O=C1/C(=C\c2ccc3ccccc3c2)SC(=S)N1CCN1CCOCC1 ZINC000096019596 1410322904 /nfs/dbraw/zinc/32/29/04/1410322904.db2.gz KHMDKJQFRQASNO-NBVRZTHBSA-N 0 0 384.526 3.373 10 10 GGCERN CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000096562778 1410333273 /nfs/dbraw/zinc/33/32/73/1410333273.db2.gz BKZLDMGDYXUSKF-GDNBJRDFSA-N 0 0 385.445 3.089 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097998746 1410393374 /nfs/dbraw/zinc/39/33/74/1410393374.db2.gz VHKSZXAMACCFHK-YFHOEESVSA-N 0 0 381.432 3.103 10 10 GGCERN COC(=O)/C=C\c1ccc(N2CCCC[C@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000098056527 1410403984 /nfs/dbraw/zinc/40/39/84/1410403984.db2.gz PLPGZORWLYNBQF-SLWQEBJJSA-N 0 0 389.452 3.055 10 10 GGCERN COC(=O)/C=C\c1ccc(N2CCCC[C@@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000098056528 1410404170 /nfs/dbraw/zinc/40/41/70/1410404170.db2.gz PLPGZORWLYNBQF-HGPCXVNDSA-N 0 0 389.452 3.055 10 10 GGCERN COc1ccc(O)c([C@H](C)NC(=O)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000103512651 1410865028 /nfs/dbraw/zinc/86/50/28/1410865028.db2.gz BXFBLDKXHNZACY-HNNXBMFYSA-N 0 0 380.448 3.206 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)C(=O)Nc3ncccn3)c2C)cc1 ZINC000105471839 1411069560 /nfs/dbraw/zinc/06/95/60/1411069560.db2.gz CIFFYSZOAALILX-OAHLLOKOSA-N 0 0 394.431 3.077 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)c(OC)c1 ZINC000139473937 1417461257 /nfs/dbraw/zinc/46/12/57/1417461257.db2.gz ABJBJMGZKUFIOT-UHFFFAOYSA-N 0 0 395.381 3.475 10 10 GGCERN CS(=O)(=O)c1cccc([C@H](NC(=O)Cc2ccc(N)cc2)c2ccccc2)c1 ZINC000159829968 1424540886 /nfs/dbraw/zinc/54/08/86/1424540886.db2.gz YHVGPKQGZJEHNG-JOCHJYFZSA-N 0 0 394.496 3.121 10 10 GGCERN CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC000169786961 1425256647 /nfs/dbraw/zinc/25/66/47/1425256647.db2.gz VCSQFOJMZDVGHG-LJQANCHMSA-N 0 0 388.414 3.067 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3CN3CCOCC3)c2C)cc1 ZINC000174485983 1427177596 /nfs/dbraw/zinc/17/75/96/1427177596.db2.gz DDPYZTDEIYZZQY-HXUWFJFHSA-N 0 0 397.519 3.040 10 10 GGCERN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181120889 1430217672 /nfs/dbraw/zinc/21/76/72/1430217672.db2.gz AGQRKNHWTXRQAZ-CVEARBPZSA-N 0 0 383.492 3.226 10 10 GGCERN CCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000240783171 1433446149 /nfs/dbraw/zinc/44/61/49/1433446149.db2.gz AWVGENZVWVFSEJ-UHFFFAOYSA-N 0 0 385.464 3.457 10 10 GGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000244450136 1433453126 /nfs/dbraw/zinc/45/31/26/1433453126.db2.gz ZBGCLBRBTWURTH-UHFFFAOYSA-N 0 0 383.448 3.226 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cccc(OC[C@H]4CCCO4)c3)CC2)cc1 ZINC000248126014 1433771941 /nfs/dbraw/zinc/77/19/41/1433771941.db2.gz HSYVMIMXVPQOGW-JOCHJYFZSA-N 0 0 396.487 3.215 10 10 GGCERN O=C1C[C@H](N2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766358 1433871968 /nfs/dbraw/zinc/87/19/68/1433871968.db2.gz YUQYYLXVHCWDMG-MOPGFXCFSA-N 0 0 378.432 3.191 10 10 GGCERN O=C1C[C@H](N2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766362 1433872032 /nfs/dbraw/zinc/87/20/32/1433872032.db2.gz YUQYYLXVHCWDMG-OALUTQOASA-N 0 0 378.432 3.191 10 10 GGCERN CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000264338616 1434099141 /nfs/dbraw/zinc/09/91/41/1434099141.db2.gz HRZFRFAFXCQCEN-HNNXBMFYSA-N 0 0 377.485 3.181 10 10 GGCERN COc1cc(N(C)C[C@@H](O)COc2cccc3[nH]ccc32)cc(OC)c1OC ZINC000268409015 1434519968 /nfs/dbraw/zinc/51/99/68/1434519968.db2.gz AGSZEIJSAZVHRB-OAHLLOKOSA-N 0 0 386.448 3.070 10 10 GGCERN Cc1cc(C(=O)N2CC[C@@](O)(c3nc(C4CC4)no3)C2)c(C)n1-c1ccccc1 ZINC000277936885 1435343777 /nfs/dbraw/zinc/34/37/77/1435343777.db2.gz HUFDZSCMGJTPIS-QFIPXVFZSA-N 0 0 392.459 3.088 10 10 GGCERN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1cnccn1 ZINC000283851504 1435937369 /nfs/dbraw/zinc/93/73/69/1435937369.db2.gz HHWSVTNOHHTASN-MRXNPFEDSA-N 0 0 380.473 3.494 10 10 GGCERN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001654633682 1126254296 /nfs/dbraw/zinc/25/42/96/1126254296.db2.gz OMRXRFKYAREUKJ-HXUWFJFHSA-N 0 0 377.868 3.340 10 10 GGCERN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001654633681 1126254319 /nfs/dbraw/zinc/25/43/19/1126254319.db2.gz OMRXRFKYAREUKJ-FQEVSTJZSA-N 0 0 377.868 3.340 10 10 GGCERN COc1ccc(N2C(=O)/C(=C3/c4ccccc4N(C)C3=O)SC2=S)cc1 ZINC000001793670 212257375 /nfs/dbraw/zinc/25/73/75/212257375.db2.gz JQWNEORAJNITEY-FOCLMDBBSA-N 0 0 382.466 3.448 10 10 GGCERN COc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O ZINC000001414629 212243643 /nfs/dbraw/zinc/24/36/43/212243643.db2.gz TVAVZNBEUFSOKY-UYRXBGFRSA-N 0 0 377.444 3.388 10 10 GGCERN COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@@H]2CCC[N@@H+]2C)c1=O ZINC000000900074 212193691 /nfs/dbraw/zinc/19/36/91/212193691.db2.gz MHPSUMPGWBYSSV-ZDUSSCGKSA-N 0 0 383.400 3.352 10 10 in-vitro GGCERN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000004189210 220691340 /nfs/dbraw/zinc/69/13/40/220691340.db2.gz MWSTXGUFKKXGFQ-GOSISDBHSA-N 0 0 384.480 3.323 10 10 GGCERN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3cccc(C)c3)C(=N)N2O1 ZINC000005013905 220811351 /nfs/dbraw/zinc/81/13/51/220811351.db2.gz SBCOKZCNGMNETN-FNUYTPMSSA-N 0 0 376.416 3.326 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1C ZINC000005394421 220865579 /nfs/dbraw/zinc/86/55/79/220865579.db2.gz JBNSPOAEDLTUGT-LRYXOLDESA-N 0 0 385.464 3.187 10 10 GGCERN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005825886 220901028 /nfs/dbraw/zinc/90/10/28/220901028.db2.gz HSSWXZRYMWSMGY-OQLLNIDSSA-N 0 0 398.371 3.069 10 10 GGCERN S=C(NCc1ccco1)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000006398512 220932752 /nfs/dbraw/zinc/93/27/52/220932752.db2.gz LFDAPCHNDGUWJG-UHFFFAOYSA-N 0 0 381.457 3.480 10 10 GGCERN Cc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000009118208 221070752 /nfs/dbraw/zinc/07/07/52/221070752.db2.gz VZWNBCKEVVQHSY-ZHACJKMWSA-N 0 0 377.488 3.188 10 10 GGCERN COc1ccc(N(CCOc2ccc(Br)cc2)CCC(N)=O)cc1 ZINC000012606665 221214434 /nfs/dbraw/zinc/21/44/34/221214434.db2.gz XNXFAFMANMZDSM-UHFFFAOYSA-N 0 0 393.281 3.219 10 10 GGCERN CC(C)c1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc1 ZINC000012750407 221224562 /nfs/dbraw/zinc/22/45/62/221224562.db2.gz UPYUPGGHGYMKHL-LGMDPLHJSA-N 0 0 376.547 3.343 10 10 GGCERN CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1[O-] ZINC000012931867 221248350 /nfs/dbraw/zinc/24/83/50/221248350.db2.gz GMEPMSLPLABKDI-UHFFFAOYSA-N 0 0 398.503 3.204 10 10 GGCERN CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC000013351465 221265963 /nfs/dbraw/zinc/26/59/63/221265963.db2.gz MJFJHCRUAJPBHW-MRXNPFEDSA-N 0 0 387.432 3.277 10 10 GGCERN CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O ZINC000013374820 221268414 /nfs/dbraw/zinc/26/84/14/221268414.db2.gz ZWFWVRGWGWHKBK-ZDUSSCGKSA-N 0 0 386.400 3.201 10 10 GGCERN CN(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccco2)cc1 ZINC000014610849 221313298 /nfs/dbraw/zinc/31/32/98/221313298.db2.gz QSWNUCZRYBJMBP-UHFFFAOYSA-N 0 0 377.404 3.498 10 10 GGCERN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1 ZINC000014845654 221318041 /nfs/dbraw/zinc/31/80/41/221318041.db2.gz BCBDTTXYSYZRNE-UHFFFAOYSA-N 0 0 389.455 3.439 10 10 GGCERN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000057547813 132453433 /nfs/dbraw/zinc/45/34/33/132453433.db2.gz ANNHOWLPPJDSTI-MRXNPFEDSA-N 0 0 381.476 3.047 10 10 GGCERN c1sc(-c2ncccn2)nc1CNCc1ccc(N2CCSCC2)cc1 ZINC000058208897 136154961 /nfs/dbraw/zinc/15/49/61/136154961.db2.gz LDZBNKXDSNBIKG-UHFFFAOYSA-N 0 0 383.546 3.443 10 10 GGCERN COC(=O)C1=CN(c2cccc(SC)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979240 136158423 /nfs/dbraw/zinc/15/84/23/136158423.db2.gz LNKLORAKQQZMIU-UHFFFAOYSA-N 0 0 379.434 3.487 10 10 GGCERN O=C(Cn1cc(-c2ccccc2)oc1=O)NCc1ccc(N2CCCCC2)cc1 ZINC000065255536 136161833 /nfs/dbraw/zinc/16/18/33/136161833.db2.gz WIDCUSPHZJBWOW-UHFFFAOYSA-N 0 0 391.471 3.415 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000089894134 136175756 /nfs/dbraw/zinc/17/57/56/136175756.db2.gz PRCQOGYRWGEFBQ-MNDMWVCDSA-N 0 0 399.451 3.337 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c([N+](=O)[O-])c1 ZINC000095406126 136179114 /nfs/dbraw/zinc/17/91/14/136179114.db2.gz DXUGNKDDCMIEIL-FUVBFXSKSA-N 0 0 398.419 3.425 10 10 GGCERN CC(C)c1nc(N2CCCC2=O)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065086454 222099231 /nfs/dbraw/zinc/09/92/31/222099231.db2.gz XHPCPBIOLVQLSM-UHFFFAOYSA-N 0 0 386.521 3.389 10 10 GGCERN CCN(C)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c1 ZINC000058103857 222038819 /nfs/dbraw/zinc/03/88/19/222038819.db2.gz BLMCXLYDIJHJLP-UHFFFAOYSA-N 0 0 389.521 3.424 10 10 GGCERN Cc1ccc(-c2cn(CC(=O)NCc3ccc(N4CCCC4)cc3)c(=O)o2)cc1 ZINC000065255597 222117437 /nfs/dbraw/zinc/11/74/37/222117437.db2.gz VIVPGXWLIFKIEY-UHFFFAOYSA-N 0 0 391.471 3.333 10 10 GGCERN Oc1ccc([C@@H]2Oc3c(Cc4ccccc4)c(O)cc(O)c3C[C@@H]2O)cc1O ZINC000085476338 222324291 /nfs/dbraw/zinc/32/42/91/222324291.db2.gz JXJNWLGWPXGNIK-SFTDATJTSA-N 0 0 380.396 3.137 10 10 GGCERN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1cccnc1 ZINC000095946359 222362702 /nfs/dbraw/zinc/36/27/02/222362702.db2.gz XWXKSOUCNGDAFZ-LJQANCHMSA-N 0 0 379.441 3.327 10 10 GGCERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000095986249 222370096 /nfs/dbraw/zinc/37/00/96/222370096.db2.gz BPSCPXPAGBEMDH-UHFFFAOYSA-N 0 0 383.857 3.101 10 10 GGCERN Cc1cc(/C=C\C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccccc1 ZINC000096861017 222427952 /nfs/dbraw/zinc/42/79/52/222427952.db2.gz VZWNBCKEVVQHSY-KHPPLWFESA-N 0 0 377.488 3.188 10 10 GGCERN Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)s1 ZINC000005344122 564215528 /nfs/dbraw/zinc/21/55/28/564215528.db2.gz JQXABDPUKFPVEW-FMIVXFBMSA-N 0 0 390.515 3.077 10 10 GGCERN CCOC(=O)CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000006076266 564220618 /nfs/dbraw/zinc/22/06/18/564220618.db2.gz BTJKPIODEOWFRI-IZZDOVSWSA-N 0 0 386.838 3.013 10 10 GGCERN CN(C)c1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2cccs2)cc1 ZINC000007278551 564235204 /nfs/dbraw/zinc/23/52/04/564235204.db2.gz XDETVKOYFYIFGF-KRWDZBQOSA-N 0 0 380.535 3.184 10 10 GGCERN Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Br)cc3)=N2)cc1 ZINC000020924335 564307480 /nfs/dbraw/zinc/30/74/80/564307480.db2.gz ONZMYEPBPBXRJF-OAHLLOKOSA-N 0 0 386.249 3.105 10 10 GGCERN CC(C)COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O ZINC000027532003 564355154 /nfs/dbraw/zinc/35/51/54/564355154.db2.gz PRMJHKSKWDXHTD-UHFFFAOYSA-N 0 0 383.267 3.239 10 10 GGCERN Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cs1 ZINC000122320671 564408531 /nfs/dbraw/zinc/40/85/31/564408531.db2.gz CEDOHMKGZFTJRA-LBPRGKRZSA-N 0 0 396.559 3.003 10 10 GGCERN COc1cc(Br)cc(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000092831326 564882491 /nfs/dbraw/zinc/88/24/91/564882491.db2.gz BEYVIOCJTRVADV-ZDUSSCGKSA-N 0 0 385.283 3.193 10 10 GGCERN COc1cc(Br)cc(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831327 564882807 /nfs/dbraw/zinc/88/28/07/564882807.db2.gz BEYVIOCJTRVADV-CYBMUJFWSA-N 0 0 385.283 3.193 10 10 GGCERN COc1cc(Cl)cc(CN2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000184693627 565153014 /nfs/dbraw/zinc/15/30/14/565153014.db2.gz GPAVSKHIRGDJAR-UHFFFAOYSA-N 0 0 380.897 3.464 10 10 GGCERN COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185775341 565219889 /nfs/dbraw/zinc/21/98/89/565219889.db2.gz YAXINCWIAXGRQH-TVQRCGJNSA-N 0 0 399.264 3.217 10 10 GGCERN C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186051132 565236996 /nfs/dbraw/zinc/23/69/96/565236996.db2.gz LSJFAGHEYBWCNE-AAEUAGOBSA-N 0 0 395.276 3.403 10 10 GGCERN COc1ccc(Br)cc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186376513 565258549 /nfs/dbraw/zinc/25/85/49/565258549.db2.gz PUPXYKWHYOEUET-LLVKDONJSA-N 0 0 394.265 3.159 10 10 GGCERN C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273457894 565321645 /nfs/dbraw/zinc/32/16/45/565321645.db2.gz HIVMTBWCDNFIOV-BONVTDFDSA-N 0 0 381.226 3.447 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000162596925 565322579 /nfs/dbraw/zinc/32/25/79/565322579.db2.gz APRGOUYQLSXRFE-UHFFFAOYSA-N 0 0 394.269 3.216 10 10 GGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296783185 565336844 /nfs/dbraw/zinc/33/68/44/565336844.db2.gz GLZDTXVMNMOMRT-QPUJVOFHSA-N 0 0 375.372 3.088 10 10 GGCERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(Br)ccc1O ZINC000375258268 565378456 /nfs/dbraw/zinc/37/84/56/565378456.db2.gz MGTCAQPPZDJWGN-OAHLLOKOSA-N 0 0 380.286 3.079 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nccn1CC ZINC000298253057 565406127 /nfs/dbraw/zinc/40/61/27/565406127.db2.gz YVFAUUGAKVKAFP-UHFFFAOYSA-N 0 0 381.274 3.103 10 10 GGCERN COc1cc(Br)cc(CN[C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000376496228 565438999 /nfs/dbraw/zinc/43/89/99/565438999.db2.gz VOMNWEGLWDDKJH-NSHDSACASA-N 0 0 395.301 3.332 10 10 GGCERN CN(Cc1ccccc1Br)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301583943 565497650 /nfs/dbraw/zinc/49/76/50/565497650.db2.gz ALPQTLREWKFCHA-UHFFFAOYSA-N 0 0 392.209 3.325 10 10 GGCERN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000277506391 565502193 /nfs/dbraw/zinc/50/21/93/565502193.db2.gz OIITXQFUEYPAED-PELKAZGASA-N 0 0 379.092 3.432 10 10 GGCERN COc1cc(Br)cc(CN[C@H](c2nc[nH]n2)c2ccccc2)c1O ZINC000364678450 566064285 /nfs/dbraw/zinc/06/42/85/566064285.db2.gz PSBSPCOUDZRNCT-HNNXBMFYSA-N 0 0 389.253 3.161 10 10 GGCERN Oc1ccc(Br)cc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180721318 566084302 /nfs/dbraw/zinc/08/43/02/566084302.db2.gz SFBIQTOAIQQBLB-HOCLYGCPSA-N 0 0 382.254 3.072 10 10 GGCERN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC=C(c3ccc(Cl)nc3)CC2)s1 ZINC000367396823 566199483 /nfs/dbraw/zinc/19/94/83/566199483.db2.gz NNMWORSELDHLHX-UHFFFAOYSA-N 0 0 399.881 3.402 10 10 GGCERN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1CCCOC1 ZINC000264314147 566211094 /nfs/dbraw/zinc/21/10/94/566211094.db2.gz OEXDEZJLNDKDBJ-GVIGZQTCSA-N 0 0 396.559 3.025 10 10 GGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(Br)cc1O ZINC000477377160 567391608 /nfs/dbraw/zinc/39/16/08/567391608.db2.gz JMTCDFRVCCUOPW-UHFFFAOYSA-N 0 0 391.265 3.189 10 10 GGCERN COCCN1C(=O)C(=Cc2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S ZINC000035262825 570278497 /nfs/dbraw/zinc/27/84/97/570278497.db2.gz IFZNJJXUUXMPIP-WJDWOHSUSA-N 0 0 375.494 3.333 10 10 GGCERN CO[C@@H]1C=C[C@@](CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)(OC)O1 ZINC000004930806 570372776 /nfs/dbraw/zinc/37/27/76/570372776.db2.gz NEADSKJHMHAFGD-OXJNMPFZSA-N 0 0 399.472 3.003 10 10 GGCERN CCN(CC)c1ccc(CN(C)C(=O)c2sc3ncn(C)c(=O)c3c2C)cc1 ZINC000024187609 570379979 /nfs/dbraw/zinc/37/99/79/570379979.db2.gz DWRDNTASSJMUAU-UHFFFAOYSA-N 0 0 398.532 3.422 10 10 GGCERN O=C(NCc1ccccc1)c1cc2ccccc2c(C[NH+]2CCOCC2)c1[O-] ZINC000035587953 570402046 /nfs/dbraw/zinc/40/20/46/570402046.db2.gz NEIDFJIQECWXCY-UHFFFAOYSA-N 0 0 376.456 3.308 10 10 GGCERN Cc1cc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)on1 ZINC000064228430 570403882 /nfs/dbraw/zinc/40/38/82/570403882.db2.gz ZCZNXXZGEJJIJP-ZDUSSCGKSA-N 0 0 398.385 3.207 10 10 GGCERN COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000005129385 570422347 /nfs/dbraw/zinc/42/23/47/570422347.db2.gz NNDZHWUBLMXNCT-IBGZPJMESA-N 0 0 380.448 3.028 10 10 GGCERN COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000005129400 570422351 /nfs/dbraw/zinc/42/23/51/570422351.db2.gz FPXUSCPYKAGNDV-LJQANCHMSA-N 0 0 396.516 3.193 10 10 GGCERN CCN1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 ZINC000100712933 570435001 /nfs/dbraw/zinc/43/50/01/570435001.db2.gz IAIBUKMRSWZUFT-LRVSTDGRSA-N 0 0 391.475 3.371 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1C ZINC000253495550 570483657 /nfs/dbraw/zinc/48/36/57/570483657.db2.gz JBNSPOAEDLTUGT-MAFSEELASA-N 0 0 385.464 3.187 10 10 GGCERN CN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035962129 570489212 /nfs/dbraw/zinc/48/92/12/570489212.db2.gz SKYISYGEOYCCSC-IBGZPJMESA-N 0 0 398.894 3.225 10 10 GGCERN Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccccc1F ZINC000005261924 570531637 /nfs/dbraw/zinc/53/16/37/570531637.db2.gz UFSWKQCNHDGLQL-UHFFFAOYSA-N 0 0 376.391 3.221 10 10 GGCERN Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1cccc(F)c1 ZINC000005280524 570548693 /nfs/dbraw/zinc/54/86/93/570548693.db2.gz FVYVEVJMAQKLFD-UHFFFAOYSA-N 0 0 391.406 3.471 10 10 GGCERN COCCNc1cc(N2CCC(=O)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738015 570562505 /nfs/dbraw/zinc/56/25/05/570562505.db2.gz LZLRVYUUMXCEBQ-UHFFFAOYSA-N 0 0 391.427 3.267 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@H](CC(C)C)C3=O)c2C)cc1 ZINC000006830399 570629185 /nfs/dbraw/zinc/62/91/85/570629185.db2.gz NDMGTDREIIMWOY-LJQANCHMSA-N 0 0 397.475 3.252 10 10 GGCERN CCN(CC)c1ccc(/C=c2\sc3nc(Cc4ccccc4)nn3c2=O)cc1 ZINC000047155006 570653324 /nfs/dbraw/zinc/65/33/24/570653324.db2.gz XUYHRXILISPBKZ-RGEXLXHISA-N 0 0 390.512 3.136 10 10 GGCERN Cc1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1F ZINC000229582056 570665708 /nfs/dbraw/zinc/66/57/08/570665708.db2.gz BXBDQZGRQBSTQG-ULQDDVLXSA-N 0 0 387.499 3.461 10 10 GGCERN O=C(Cc1cccn1-c1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000065170835 570719926 /nfs/dbraw/zinc/71/99/26/570719926.db2.gz QKWRGAJLRVMVNE-UHFFFAOYSA-N 0 0 393.462 3.312 10 10 GGCERN CN(C)c1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000000970657 570740817 /nfs/dbraw/zinc/74/08/17/570740817.db2.gz GKBMQZQXDJNKBW-SFQUDFHCSA-N 0 0 397.525 3.228 10 10 GGCERN COc1ccc(N2CCN(C(=O)CCN3CCCc4ccccc43)CC2)cc1 ZINC000032776699 570798994 /nfs/dbraw/zinc/79/89/94/570798994.db2.gz BZBSICYGFUQPET-UHFFFAOYSA-N 0 0 379.504 3.187 10 10 GGCERN COc1ccc(N(CCC(N)=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012522208 570828645 /nfs/dbraw/zinc/82/86/45/570828645.db2.gz OVJGMFXFKGEYPM-UHFFFAOYSA-N 0 0 396.274 3.323 10 10 GGCERN Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2O)nn1-c1ccc(Cl)cc1 ZINC000042117457 570834828 /nfs/dbraw/zinc/83/48/28/570834828.db2.gz MMJLRRASLMHSCQ-UHFFFAOYSA-N 0 0 383.835 3.172 10 10 GGCERN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OC)c(OC)c1 ZINC000103686485 570888073 /nfs/dbraw/zinc/88/80/73/570888073.db2.gz DMSUPCYNWOGNQC-MHWRWJLKSA-N 0 0 383.400 3.170 10 10 GGCERN COc1ccc(N2CCN(C(=S)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000002770911 1398318843 /nfs/dbraw/zinc/31/88/43/1398318843.db2.gz BNKAJGNOQOKRQV-UHFFFAOYSA-N 0 0 387.505 3.231 10 10 GGCERN COC(=O)c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3OC)C2=O)cc1 ZINC000003272907 1398331233 /nfs/dbraw/zinc/33/12/33/1398331233.db2.gz ZJQIPAFHIIYENZ-MRXNPFEDSA-N 0 0 386.429 3.115 10 10 GGCERN O=C([O-])c1c(O)c2ccccc2c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000003375374 1398338469 /nfs/dbraw/zinc/33/84/69/1398338469.db2.gz ISSKPXBVACFMKC-UHFFFAOYSA-N 0 0 378.428 3.271 10 10 GGCERN COCCn1cnnc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000003440768 1398347774 /nfs/dbraw/zinc/34/77/74/1398347774.db2.gz ZCYXDNNCGNIQSG-UHFFFAOYSA-N 0 0 388.468 3.446 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 ZINC000003579171 1398371171 /nfs/dbraw/zinc/37/11/71/1398371171.db2.gz MOEMSDSGCGUEOL-UHFFFAOYSA-N 0 0 388.427 3.091 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 ZINC000009738252 1398865144 /nfs/dbraw/zinc/86/51/44/1398865144.db2.gz MMUSVYLSSCOWCJ-UHFFFAOYSA-N 0 0 397.500 3.226 10 10 GGCERN CCCCOc1ccc(C(=O)NC2=N[C@H](c3ccccc3F)CC(=O)N2)cc1 ZINC000020924646 1399357493 /nfs/dbraw/zinc/35/74/93/1399357493.db2.gz AYZWBEGMBXUKAN-SFHVURJKSA-N 0 0 383.423 3.352 10 10 GGCERN CC(=O)N1N=C(COc2ccc(C)cc2[N+](=O)[O-])O[C@@H]1c1ccc(N(C)C)cc1 ZINC000021090957 1399364349 /nfs/dbraw/zinc/36/43/49/1399364349.db2.gz NBCHNUONSFYGEZ-HXUWFJFHSA-N 0 0 398.419 3.239 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cccc4c3SCCC4=O)CC2)cc1 ZINC000021102969 1399364837 /nfs/dbraw/zinc/36/48/37/1399364837.db2.gz VLHGRAFLVUPEGV-UHFFFAOYSA-N 0 0 382.485 3.336 10 10 GGCERN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1F ZINC000057732480 1407702880 /nfs/dbraw/zinc/70/28/80/1407702880.db2.gz CUWMEYRESLLDFO-UHFFFAOYSA-N 0 0 398.482 3.137 10 10 GGCERN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000058126957 1407787622 /nfs/dbraw/zinc/78/76/22/1407787622.db2.gz ADVXOPHASPRFRD-LJQANCHMSA-N 0 0 381.520 3.254 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C(=O)N(C)C)ccc3C)CC2)cc1 ZINC000061555873 1408146632 /nfs/dbraw/zinc/14/66/32/1408146632.db2.gz BBANUTZGWKLPMS-UHFFFAOYSA-N 0 0 396.491 3.060 10 10 GGCERN COCCOc1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000063164047 1408311167 /nfs/dbraw/zinc/31/11/67/1408311167.db2.gz HYZYQMFYGABXKC-UHFFFAOYSA-N 0 0 385.464 3.075 10 10 GGCERN CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000066863674 1408935219 /nfs/dbraw/zinc/93/52/19/1408935219.db2.gz GOEHMTFWQKGYDD-UHFFFAOYSA-N 0 0 385.483 3.005 10 10 GGCERN COC(=O)/C=C/c1ccc(N2CCCC[C@H]2C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000079076488 1409955264 /nfs/dbraw/zinc/95/52/64/1409955264.db2.gz PLPGZORWLYNBQF-SOGBHIHOSA-N 0 0 389.452 3.055 10 10 GGCERN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000108929859 1411641913 /nfs/dbraw/zinc/64/19/13/1411641913.db2.gz IALZNYWWMKMECG-UHFFFAOYSA-N 0 0 390.505 3.059 10 10 GGCERN CCc1nc(NC(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)sc1C ZINC000109762057 1411808337 /nfs/dbraw/zinc/80/83/37/1411808337.db2.gz GVAYINBHQSFIDV-MRXNPFEDSA-N 0 0 389.521 3.339 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000115998224 1412820811 /nfs/dbraw/zinc/82/08/11/1412820811.db2.gz GDTCDXLATWMPIT-GJZGRUSLSA-N 0 0 390.405 3.360 10 10 GGCERN CCOc1ccc(O)c(CNc2cccc(C(=O)N3CCC(CO)CC3)c2)c1 ZINC000125848474 1415295573 /nfs/dbraw/zinc/29/55/73/1415295573.db2.gz FUFJWPUYMONOPW-UHFFFAOYSA-N 0 0 384.476 3.248 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)CC2)cc1 ZINC000177949891 1428898692 /nfs/dbraw/zinc/89/86/92/1428898692.db2.gz CUUSURVHUGODNF-UHFFFAOYSA-N 0 0 396.491 3.060 10 10 GGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)n1ccc(=NCC(F)(F)F)cc1 ZINC000128751367 1416058912 /nfs/dbraw/zinc/05/89/12/1416058912.db2.gz APSROEPBHBMULC-ZZXKWVIFSA-N 0 0 391.393 3.141 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc4oc(N(C)C)nc4c3)CC2)cc1 ZINC000178809307 1429176973 /nfs/dbraw/zinc/17/69/73/1429176973.db2.gz CAFFUSLNMDCVAW-UHFFFAOYSA-N 0 0 395.463 3.257 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3C(F)F)CC2)cc1 ZINC000179326478 1429329767 /nfs/dbraw/zinc/32/97/67/1429329767.db2.gz GQUILUQIZMOAKE-UHFFFAOYSA-N 0 0 392.450 3.448 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1 ZINC000152529578 1422132187 /nfs/dbraw/zinc/13/21/87/1422132187.db2.gz COOYGEQPFXHHSQ-UHFFFAOYSA-N 0 0 375.812 3.219 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc(C)nc3Br)CC2)cc1 ZINC000158364789 1424236839 /nfs/dbraw/zinc/23/68/39/1424236839.db2.gz CQXVAPLYLAVRQQ-UHFFFAOYSA-N 0 0 390.281 3.124 10 10 GGCERN Nc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000171531797 1425719842 /nfs/dbraw/zinc/71/98/42/1425719842.db2.gz OHVQYJCFIOOHFM-UHFFFAOYSA-N 0 0 378.803 3.462 10 10 GGCERN O=C1COc2ccccc2N1CCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000174521930 1427201218 /nfs/dbraw/zinc/20/12/18/1427201218.db2.gz CQQOAENWLONCRK-UHFFFAOYSA-N 0 0 391.265 3.060 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc1 ZINC000185921454 1431280176 /nfs/dbraw/zinc/28/01/76/1431280176.db2.gz HISOQJZKAMPPOP-UHFFFAOYSA-N 0 0 377.448 3.439 10 10 GGCERN CCOc1cccc2[nH]cc(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c21 ZINC000187836954 1431818396 /nfs/dbraw/zinc/81/83/96/1431818396.db2.gz BKORZKAIDXLRJN-UHFFFAOYSA-N 0 0 393.487 3.467 10 10 GGCERN COc1ccc(N2CCN(Cc3noc(-c4ccc(F)cc4F)n3)CC2)cc1 ZINC000188939770 1432013333 /nfs/dbraw/zinc/01/33/33/1432013333.db2.gz DIKFOASCXDGFBX-UHFFFAOYSA-N 0 0 386.402 3.346 10 10 GGCERN CCOc1ccc(O)c(CNc2ccccc2CN2CCN(C(C)=O)CC2)c1 ZINC000189447286 1432114487 /nfs/dbraw/zinc/11/44/87/1432114487.db2.gz AGUDJJQNHYSKCW-UHFFFAOYSA-N 0 0 383.492 3.067 10 10 GGCERN COc1ccc(N2CCN(C(=O)C(C)(C)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000242943281 1433447729 /nfs/dbraw/zinc/44/77/29/1433447729.db2.gz HCTIOZLVDZOBPF-UHFFFAOYSA-N 0 0 382.460 3.050 10 10 GGCERN COc1ccc(N2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1 ZINC000248116587 1433770376 /nfs/dbraw/zinc/77/03/76/1433770376.db2.gz BKFJEYHLVBYDAI-UHFFFAOYSA-N 0 0 398.438 3.119 10 10 GGCERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c4ncccc34)CC2)cc1 ZINC000248328619 1433785629 /nfs/dbraw/zinc/78/56/29/1433785629.db2.gz BYTIENNSCCIBGC-UHFFFAOYSA-N 0 0 397.500 3.063 10 10 GGCERN O=C1C[C@@H](N2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766364 1433871981 /nfs/dbraw/zinc/87/19/81/1433871981.db2.gz YUQYYLXVHCWDMG-RBUKOAKNSA-N 0 0 378.432 3.191 10 10 GGCERN O=C1C[C@@H](N2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766366 1433872028 /nfs/dbraw/zinc/87/20/28/1433872028.db2.gz YUQYYLXVHCWDMG-RTBURBONSA-N 0 0 378.432 3.191 10 10 GGCERN COC(=O)CCc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000264194228 1434080430 /nfs/dbraw/zinc/08/04/30/1434080430.db2.gz CLZVIISFOPWORD-UHFFFAOYSA-N 0 0 397.475 3.155 10 10 GGCERN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000264338618 1434099047 /nfs/dbraw/zinc/09/90/47/1434099047.db2.gz HRZFRFAFXCQCEN-OAHLLOKOSA-N 0 0 377.485 3.181 10 10 GGCERN COc1ccc(N2CCN(C(=O)Cc3coc(-c4cccs4)n3)CC2)cc1 ZINC000264346232 1434099919 /nfs/dbraw/zinc/09/99/19/1434099919.db2.gz FFPUZWWMIYGNCB-UHFFFAOYSA-N 0 0 383.473 3.303 10 10 GGCERN COCCn1c(C)cc(C(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)c1C ZINC000267915023 1434476623 /nfs/dbraw/zinc/47/66/23/1434476623.db2.gz HBUOVAQGECCAAL-UHFFFAOYSA-N 0 0 390.480 3.096 10 10 GGCERN COc1ccc(C[NH2+][C@@H](Cc2c(C)cccc2C)C(=O)[O-])cc1Cn1cccn1 ZINC000904071878 1126133007 /nfs/dbraw/zinc/13/30/07/1126133007.db2.gz LAOUESWXHOZYHB-NRFANRHFSA-N 0 0 393.487 3.342 10 10 GGCERN Cc1cccc(C)c1C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000904072119 1126133239 /nfs/dbraw/zinc/13/32/39/1126133239.db2.gz UITCWICOWCEBSR-FQEVSTJZSA-N 0 0 386.467 3.065 10 10 GGCERN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])cc1 ZINC001560182170 1126208380 /nfs/dbraw/zinc/20/83/80/1126208380.db2.gz FKHIRPSMJZKERW-HXUWFJFHSA-N 0 0 377.868 3.340 10 10 GGCERN CN1CCc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccc21 ZINC000225387822 203791651 /nfs/dbraw/zinc/79/16/51/203791651.db2.gz IKCUPPXBYJVJQB-NQIIRXRSSA-N 0 0 397.906 3.168 10 10 GGCERN Cc1cc(C)c(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1C ZINC000096935906 203834112 /nfs/dbraw/zinc/83/41/12/203834112.db2.gz TZMWJAPYKLWNQA-SFQUDFHCSA-N 0 0 376.547 3.145 10 10 GGCERN C[n+]1ccccc1/C=C1\Sc2cc(Cl)ccc2N1CCCS(=O)(=O)[O-] ZINC000004150823 204029151 /nfs/dbraw/zinc/02/91/51/204029151.db2.gz SIURPIZWCXLMLX-UHFFFAOYSA-O 0 0 397.929 3.353 10 10 GGCERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 ZINC000004787422 204075238 /nfs/dbraw/zinc/07/52/38/204075238.db2.gz JQKPZHOIIPLROM-UHFFFAOYSA-N 0 0 388.533 3.405 10 10 GGCERN COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)ccc1O ZINC000004825880 204078897 /nfs/dbraw/zinc/07/88/97/204078897.db2.gz BHVZFPKGDDNWRU-IQANBRSTSA-N 0 0 390.490 3.367 10 10 GGCERN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)C(=N)N12 ZINC000004825875 204079840 /nfs/dbraw/zinc/07/98/40/204079840.db2.gz KMPMCPSUOAGDBV-DAUNGZKTSA-N 0 0 388.474 3.381 10 10 GGCERN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=N)S1 ZINC000004908942 204089983 /nfs/dbraw/zinc/08/99/83/204089983.db2.gz YIYVONRUBJMDQN-CBMDOVLYSA-N 0 0 380.389 3.025 10 10 GGCERN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C ZINC000004500178 204047986 /nfs/dbraw/zinc/04/79/86/204047986.db2.gz HHTSQDHPWLYUMH-UHFFFAOYSA-N 0 0 376.840 3.192 10 10 GGCERN CO[C@H]1C=C[C@@](CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)(OC)O1 ZINC000004930798 204091696 /nfs/dbraw/zinc/09/16/96/204091696.db2.gz NEADSKJHMHAFGD-OXQOHEQNSA-N 0 0 399.472 3.003 10 10 GGCERN Nc1c(Br)c(Br)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000005286468 204124689 /nfs/dbraw/zinc/12/46/89/204124689.db2.gz WETZVVQTMWRYHU-UHFFFAOYSA-N 0 0 396.038 3.151 10 10 GGCERN CCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1 ZINC000005316880 204125877 /nfs/dbraw/zinc/12/58/77/204125877.db2.gz YYBSEGBOVVQCAU-UHFFFAOYSA-N 0 0 390.395 3.103 10 10 GGCERN O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000006133217 204167009 /nfs/dbraw/zinc/16/70/09/204167009.db2.gz ICJFWSKTQCTZKV-RVDMUPIBSA-N 0 0 399.453 3.070 10 10 GGCERN Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006217988 204171551 /nfs/dbraw/zinc/17/15/51/204171551.db2.gz LQGYEBFYLQSUQX-GDNBJRDFSA-N 0 0 399.453 3.449 10 10 GGCERN Cc1cc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)n1-c1ccccc1 ZINC000006647060 204187247 /nfs/dbraw/zinc/18/72/47/204187247.db2.gz FGVLACHKAMFJRW-MDZDMXLPSA-N 0 0 387.487 3.246 10 10 GGCERN CCN(CC)c1ccc(CN(C(=O)C(C)C)C2CC2)c(OS(C)(=O)=O)c1 ZINC000006709643 204192523 /nfs/dbraw/zinc/19/25/23/204192523.db2.gz ZYBWMEXGJNNVOA-UHFFFAOYSA-N 0 0 382.526 3.018 10 10 GGCERN Cc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1C ZINC000006915808 204223524 /nfs/dbraw/zinc/22/35/24/204223524.db2.gz LNYKURDGTYXHNJ-UHFFFAOYSA-N 0 0 395.444 3.025 10 10 GGCERN Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006980285 204228113 /nfs/dbraw/zinc/22/81/13/204228113.db2.gz GCHHYSDECQMGBT-UHFFFAOYSA-N 0 0 388.518 3.439 10 10 GGCERN CCNc1nc2nnc(SCCOc3ccccc3Cl)n2c(NCC)n1 ZINC000007063739 204232607 /nfs/dbraw/zinc/23/26/07/204232607.db2.gz AYFAMXBJFLOFGP-UHFFFAOYSA-N 0 0 393.904 3.207 10 10 GGCERN Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)NCCOc2ccccc2)cc1 ZINC000007780139 204249687 /nfs/dbraw/zinc/24/96/87/204249687.db2.gz JGPRPNXZXOKGFN-UHFFFAOYSA-N 0 0 391.471 3.019 10 10 GGCERN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000008134644 204263350 /nfs/dbraw/zinc/26/33/50/204263350.db2.gz VCOVBJKULRAYCU-DHZHZOJOSA-N 0 0 391.519 3.219 10 10 GGCERN Cc1cc(/C=C/C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000009118123 204299875 /nfs/dbraw/zinc/29/98/75/204299875.db2.gz BEZPOGNDRWVJLE-DHZHZOJOSA-N 0 0 391.515 3.497 10 10 GGCERN Cc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)nnn1-c1ccc(N)cc1 ZINC000011730796 204351007 /nfs/dbraw/zinc/35/10/07/204351007.db2.gz FCVJMPBHNYHDSC-UHFFFAOYSA-N 0 0 383.260 3.298 10 10 GGCERN Cc1c(S(=O)(=O)c2ccc(Cl)cc2Cl)nnn1-c1ccc(N)cc1 ZINC000011730802 204351101 /nfs/dbraw/zinc/35/11/01/204351101.db2.gz AJYRZPVBGMGYCO-UHFFFAOYSA-N 0 0 383.260 3.298 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(OC)ccc1OC ZINC000027520530 204855682 /nfs/dbraw/zinc/85/56/82/204855682.db2.gz IAVDPPVHAROLFX-ATVHPVEESA-N 0 0 397.387 3.392 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000027520550 204856956 /nfs/dbraw/zinc/85/69/56/204856956.db2.gz NRBZESQYEFGHOC-WJDWOHSUSA-N 0 0 382.332 3.283 10 10 GGCERN COC(=O)c1cc(/C=C2\SC(N(C(C)=O)c3ccccc3)=NC2=O)oc1C ZINC000032824929 204922208 /nfs/dbraw/zinc/92/22/08/204922208.db2.gz PPQNFMPGWCFPDN-YBEGLDIGSA-N 0 0 384.413 3.398 10 10 GGCERN CC(=O)Nc1nc2ccc(CC(=O)NCc3ccc(N(C)C)cc3)cc2s1 ZINC000032959599 204934521 /nfs/dbraw/zinc/93/45/21/204934521.db2.gz FCHLPSBFIQRIIJ-UHFFFAOYSA-N 0 0 382.489 3.180 10 10 GGCERN CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000033417414 204963809 /nfs/dbraw/zinc/96/38/09/204963809.db2.gz WSULWUNYYWIZDG-OAMQDSFOSA-N 0 0 376.478 3.173 10 10 GGCERN O=C1CN(Cc2ccc(Br)cc2)[C@H](c2cc(O)c(O)c(Cl)c2)N1 ZINC000084398243 205394946 /nfs/dbraw/zinc/39/49/46/205394946.db2.gz RRUSVWGLYFONOM-MRXNPFEDSA-N 0 0 397.656 3.144 10 10 GGCERN O=C1c2ccccc2C(=O)N1N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000033336620 206097783 /nfs/dbraw/zinc/09/77/83/206097783.db2.gz VMHBZCZJZUURMY-NTEUORMPSA-N 0 0 384.413 3.238 10 10 GGCERN COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)c(C)c1 ZINC000033333105 206098443 /nfs/dbraw/zinc/09/84/43/206098443.db2.gz XTEOTHKQVHBSQI-ZROIWOOFSA-N 0 0 384.413 3.138 10 10 GGCERN COC(=O)C1=CN(c2ccc(OC)c(Cl)c2)c2ccc(F)cc2S1(=O)=O ZINC000064979256 136158425 /nfs/dbraw/zinc/15/84/25/136158425.db2.gz BLFHEXOIAICVBI-UHFFFAOYSA-N 0 0 397.811 3.428 10 10 GGCERN COc1ccc(N2CCN(c3nc(-c4cccc(C)c4)nnc3C)CC2)cc1 ZINC000065195856 136160053 /nfs/dbraw/zinc/16/00/53/136160053.db2.gz KUXYKEBDFQJDTK-UHFFFAOYSA-N 0 0 375.476 3.491 10 10 GGCERN Cc1ccccc1[C@H]1CC(c2ccc(N3CCOCC3)c(F)c2)=Nc2nnnn21 ZINC000103267284 136191075 /nfs/dbraw/zinc/19/10/75/136191075.db2.gz YVFCDVZADQKMTN-HXUWFJFHSA-N 0 0 392.438 3.013 10 10 GGCERN Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)c1 ZINC000005853783 136194957 /nfs/dbraw/zinc/19/49/57/136194957.db2.gz OKSDVSJFWRDIFF-XMHGGMMESA-N 0 0 379.485 3.493 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000008728170 136196987 /nfs/dbraw/zinc/19/69/87/136196987.db2.gz YAYFWAILUKXBFH-UHFFFAOYSA-N 0 0 391.265 3.126 10 10 GGCERN COc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000065096220 536666651 /nfs/dbraw/zinc/66/66/51/536666651.db2.gz KIQWWNUBNWBHHA-UHFFFAOYSA-N 0 0 398.484 3.475 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)cc1 ZINC000040128921 536689045 /nfs/dbraw/zinc/68/90/45/536689045.db2.gz DKRLJQCDJVOAIL-UHFFFAOYSA-N 0 0 380.492 3.043 10 10 GGCERN COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000058158693 536695337 /nfs/dbraw/zinc/69/53/37/536695337.db2.gz BGKDAIKQIRGOEN-UHFFFAOYSA-N 0 0 377.847 3.248 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000096457157 536703518 /nfs/dbraw/zinc/70/35/18/536703518.db2.gz HTTYYJMZUFLXAN-GMAHTHKFSA-N 0 0 391.515 3.185 10 10 GGCERN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000277506405 565502620 /nfs/dbraw/zinc/50/26/20/565502620.db2.gz OIITXQFUEYPAED-UFBFGSQYSA-N 0 0 379.092 3.432 10 10 GGCERN CCN1c2cc(Cl)ccc2S/C1=C1/SC(=S)N(NC(C)=O)C1=O ZINC000001022093 564182569 /nfs/dbraw/zinc/18/25/69/564182569.db2.gz ZDNLLBXUMNQYIL-ACCUITESSA-N 0 0 385.923 3.353 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)c1nnn(C(C)C)c1C ZINC000293174876 565154976 /nfs/dbraw/zinc/15/49/76/565154976.db2.gz AFPVRKUOUPCDJX-UHFFFAOYSA-N 0 0 381.274 3.298 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000158371023 565167846 /nfs/dbraw/zinc/16/78/46/565167846.db2.gz UNJKJPSIGHZOKR-NSHDSACASA-N 0 0 395.301 3.349 10 10 GGCERN C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185023585 565173253 /nfs/dbraw/zinc/17/32/53/565173253.db2.gz MXMRDMRCAOXDTH-NSHDSACASA-N 0 0 395.276 3.403 10 10 GGCERN O=C(Cc1sccc1Br)NCc1ccc(N2CCOCC2)cc1 ZINC000294618606 565219973 /nfs/dbraw/zinc/21/99/73/565219973.db2.gz SPXRYBOICMWYQZ-UHFFFAOYSA-N 0 0 395.322 3.206 10 10 GGCERN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185995585 565233532 /nfs/dbraw/zinc/23/35/32/565233532.db2.gz MUEOMZZAQXONNK-ONGXEEELSA-N 0 0 383.265 3.113 10 10 GGCERN COC(=O)c1cnc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)s1 ZINC000295152120 565248000 /nfs/dbraw/zinc/24/80/00/565248000.db2.gz FJWQHSMIHXRXGD-WDEREUQCSA-N 0 0 380.491 3.296 10 10 GGCERN COC(=O)c1cnc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)s1 ZINC000295152111 565248424 /nfs/dbraw/zinc/24/84/24/565248424.db2.gz FJWQHSMIHXRXGD-GHMZBOCLSA-N 0 0 380.491 3.296 10 10 GGCERN COc1ccc(Br)cc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186376497 565258205 /nfs/dbraw/zinc/25/82/05/565258205.db2.gz PUPXYKWHYOEUET-NSHDSACASA-N 0 0 394.265 3.159 10 10 GGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296783175 565336753 /nfs/dbraw/zinc/33/67/53/565336753.db2.gz GLZDTXVMNMOMRT-PELKAZGASA-N 0 0 375.372 3.088 10 10 GGCERN COc1cc(Br)cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000188451373 565402561 /nfs/dbraw/zinc/40/25/61/565402561.db2.gz ROSWAYGAROMYEH-LLVKDONJSA-N 0 0 395.301 3.455 10 10 GGCERN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2=O)n(C)n1 ZINC000173854638 565593399 /nfs/dbraw/zinc/59/33/99/565593399.db2.gz OCQSIPJHVGYBPR-CQSZACIVSA-N 0 0 383.279 3.026 10 10 GGCERN COc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)ccc1Cl ZINC000414370788 565917535 /nfs/dbraw/zinc/91/75/35/565917535.db2.gz HKTZTPVNEMLIOW-UHFFFAOYSA-N 0 0 382.869 3.002 10 10 GGCERN Cc1noc([C@H](C)N2CCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000180100738 566032932 /nfs/dbraw/zinc/03/29/32/566032932.db2.gz HJKZVSBKSSIODI-LBPRGKRZSA-N 0 0 395.301 3.033 10 10 GGCERN Oc1ccc(Br)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180721304 566083522 /nfs/dbraw/zinc/08/35/22/566083522.db2.gz SFBIQTOAIQQBLB-GOEBONIOSA-N 0 0 382.254 3.072 10 10 GGCERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1 ZINC000527806089 567374635 /nfs/dbraw/zinc/37/46/35/567374635.db2.gz KYAFRYJZTYELRP-MRXNPFEDSA-N 0 0 375.266 3.380 10 10 GGCERN Cc1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1[C@@H]1CCOC1 ZINC000529168170 567492791 /nfs/dbraw/zinc/49/27/91/567492791.db2.gz DFTMHKFUCFQFMS-CQSZACIVSA-N 0 0 393.281 3.464 10 10 GGCERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)n1[C@H]1CCOC1 ZINC000529389057 567511693 /nfs/dbraw/zinc/51/16/93/567511693.db2.gz QIJGLHCSZIQBDX-HNNXBMFYSA-N 0 0 393.281 3.464 10 10 GGCERN Cc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)cc1F ZINC000531864993 567683571 /nfs/dbraw/zinc/68/35/71/567683571.db2.gz DJIIPOZFTGLXCU-UHFFFAOYSA-N 0 0 384.860 3.441 10 10 GGCERN Fc1cc(CNCc2csc(-c3ccccn3)n2)ccc1N1CCOCC1 ZINC000048252238 570226976 /nfs/dbraw/zinc/22/69/76/570226976.db2.gz YFDJNGCRGFWFQH-UHFFFAOYSA-N 0 0 384.480 3.471 10 10 GGCERN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1 ZINC000020432035 570255480 /nfs/dbraw/zinc/25/54/80/570255480.db2.gz WKGXEPYBZJOOJN-QFIPXVFZSA-N 0 0 394.519 3.041 10 10 GGCERN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000021670536 570294252 /nfs/dbraw/zinc/29/42/52/570294252.db2.gz MCIBPGSIHNDNIK-IYBDPMFKSA-N 0 0 384.476 3.157 10 10 GGCERN COc1ccc(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 ZINC000043272539 570298547 /nfs/dbraw/zinc/29/85/47/570298547.db2.gz AZJHIJYMLJUQDP-UHFFFAOYSA-N 0 0 382.432 3.018 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(OC)ccc1O ZINC000100249769 570341676 /nfs/dbraw/zinc/34/16/76/570341676.db2.gz NSYWMOAFDULPFT-LFIBNONCSA-N 0 0 383.360 3.089 10 10 GGCERN COc1ccc(N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000035388268 570347955 /nfs/dbraw/zinc/34/79/55/570347955.db2.gz BNSCOMBYGCWAQL-QFIPXVFZSA-N 0 0 379.504 3.181 10 10 GGCERN Cc1nnc(-c2ccc3ccn(CC(=O)NCc4ccc(N(C)C)cc4)c3c2)o1 ZINC000035462149 570364194 /nfs/dbraw/zinc/36/41/94/570364194.db2.gz DWMLVFRLZQOHSB-UHFFFAOYSA-N 0 0 389.459 3.382 10 10 GGCERN CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C(C)C)C1=O ZINC000001788051 570424623 /nfs/dbraw/zinc/42/46/23/570424623.db2.gz KTBINURNEIDZDN-JLHYYAGUSA-N 0 0 388.518 3.126 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1C ZINC000253495551 570483872 /nfs/dbraw/zinc/48/38/72/570483872.db2.gz JBNSPOAEDLTUGT-MVTANYMXSA-N 0 0 385.464 3.187 10 10 GGCERN CN(C)c1ccc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)cc1 ZINC000048513144 570659229 /nfs/dbraw/zinc/65/92/29/570659229.db2.gz QXWCBDSXOCDUKS-LFIBNONCSA-N 0 0 382.876 3.085 10 10 GGCERN Cc1ccc(-n2cccc2CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000065170900 570720013 /nfs/dbraw/zinc/72/00/13/570720013.db2.gz KSRHRCSJNIEWRT-UHFFFAOYSA-N 0 0 389.499 3.481 10 10 GGCERN Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1NS(C)(=O)=O ZINC000012544740 570844822 /nfs/dbraw/zinc/84/48/22/570844822.db2.gz RZQOBXVCJNZLNH-UHFFFAOYSA-N 0 0 390.486 3.321 10 10 GGCERN CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000012548913 570851250 /nfs/dbraw/zinc/85/12/50/570851250.db2.gz FGPMRSBXJIIWBT-UHFFFAOYSA-N 0 0 394.302 3.448 10 10 GGCERN Cc1cc(C(=O)NCCc2cc(F)cc3c2OCOC3)c(C)n1-c1ccccn1 ZINC000084081366 570996071 /nfs/dbraw/zinc/99/60/71/570996071.db2.gz RZIGISUTIPUMIZ-UHFFFAOYSA-N 0 0 395.434 3.467 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3noc4c3COc3ccccc3-4)CC2)cc1 ZINC000015673854 571041497 /nfs/dbraw/zinc/04/14/97/571041497.db2.gz DRFLGFCYVMERMR-UHFFFAOYSA-N 0 0 391.427 3.205 10 10 GGCERN COc1ccc(N2CCN(C(=O)NCc3noc4ccc(C)cc34)CC2)cc1 ZINC000015678480 571044278 /nfs/dbraw/zinc/04/42/78/571044278.db2.gz YWMYIMLNORQDTO-UHFFFAOYSA-N 0 0 380.448 3.177 10 10 GGCERN COc1ccc(N2CCN(CC(=O)N(C)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000055531145 1406992098 /nfs/dbraw/zinc/99/20/98/1406992098.db2.gz FFSLQLOSMNQWBB-QHCPKHFHSA-N 0 0 393.531 3.353 10 10 GGCERN COCCN1C(=O)/C(=C\c2cccc(OC)c2OC(F)F)SC1=S ZINC000014196676 1399092410 /nfs/dbraw/zinc/09/24/10/1399092410.db2.gz CTUNTGXCDGFBDA-DHZHZOJOSA-N 0 0 375.418 3.144 10 10 GGCERN COc1cccc([C@@H]2CC(c3cccs3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000015830394 1399196451 /nfs/dbraw/zinc/19/64/51/1399196451.db2.gz SOGSYCHCXWCHOD-INIZCTEOSA-N 0 0 399.516 3.325 10 10 GGCERN O=C(CCCOc1ccccc1)NC1=N[C@@H](c2ccccc2Cl)CC(=O)N1 ZINC000020530835 1399347989 /nfs/dbraw/zinc/34/79/89/1399347989.db2.gz DUJHYSTUKUMBDN-QGZVFWFLSA-N 0 0 385.851 3.232 10 10 GGCERN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCOCC2)cc1 ZINC000020603772 1399350061 /nfs/dbraw/zinc/35/00/61/1399350061.db2.gz MDZDFOKZEMVOIW-HXUWFJFHSA-N 0 0 387.911 3.209 10 10 GGCERN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000020603878 1399350129 /nfs/dbraw/zinc/35/01/29/1399350129.db2.gz ZEQJYBJQPBGEID-HXUWFJFHSA-N 0 0 387.911 3.209 10 10 GGCERN CN(C)c1ccc(CNC(=O)C2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000020996270 1399360416 /nfs/dbraw/zinc/36/04/16/1399360416.db2.gz GDQUKWXCVJPFJI-UHFFFAOYSA-N 0 0 395.532 3.290 10 10 GGCERN CC(=O)N1N=C(COc2ccc(C)cc2[N+](=O)[O-])O[C@H]1c1ccc(N(C)C)cc1 ZINC000021090953 1399364489 /nfs/dbraw/zinc/36/44/89/1399364489.db2.gz NBCHNUONSFYGEZ-FQEVSTJZSA-N 0 0 398.419 3.239 10 10 GGCERN CN(C)c1ccc(CN(C)C(=O)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000046960386 1404653619 /nfs/dbraw/zinc/65/36/19/1404653619.db2.gz CLEBPPGPNZDLKB-UHFFFAOYSA-N 0 0 377.492 3.339 10 10 GGCERN COc1ccc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000056965707 1407490193 /nfs/dbraw/zinc/49/01/93/1407490193.db2.gz BFQNDCOLIMWKMI-UHFFFAOYSA-N 0 0 389.499 3.400 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000063351926 1408342390 /nfs/dbraw/zinc/34/23/90/1408342390.db2.gz AQIYCEQKSXOSSS-HKUYNNGSSA-N 0 0 387.430 3.157 10 10 GGCERN COc1cc(C2=NN(C(=O)CN3CCCC3)[C@H](c3cccs3)C2)ccc1O ZINC000095946114 1410316069 /nfs/dbraw/zinc/31/60/69/1410316069.db2.gz WSZNKKHLAGTINK-INIZCTEOSA-N 0 0 385.489 3.236 10 10 GGCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000095993237 1410319591 /nfs/dbraw/zinc/31/95/91/1410319591.db2.gz VDACARJYBMAAQT-CYBMUJFWSA-N 0 0 393.409 3.365 10 10 GGCERN CC(C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000096396589 1410330951 /nfs/dbraw/zinc/33/09/51/1410330951.db2.gz FRBROHJQYGSMSJ-OAQYLSRUSA-N 0 0 379.504 3.151 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCCC4)c3c2)cc1 ZINC000096399941 1410331693 /nfs/dbraw/zinc/33/16/93/1410331693.db2.gz PWPHJBSRYAVKMI-UHFFFAOYSA-N 0 0 375.476 3.226 10 10 GGCERN COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc2c1OCCO2 ZINC000096663479 1410336201 /nfs/dbraw/zinc/33/62/01/1410336201.db2.gz OUNKQKGWZKQGSD-OQLLNIDSSA-N 0 0 386.454 3.267 10 10 GGCERN CN(C)c1ccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000096879417 1410337176 /nfs/dbraw/zinc/33/71/76/1410337176.db2.gz RENFUJCUZJQPSN-RAXLEYEMSA-N 0 0 391.515 3.321 10 10 GGCERN CN(C)c1ccc(/C=C\C(=O)N2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 ZINC000098007846 1410393992 /nfs/dbraw/zinc/39/39/92/1410393992.db2.gz LGUBVDWFNQSGKA-OMCDNRFESA-N 0 0 395.528 3.212 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000115998226 1412820892 /nfs/dbraw/zinc/82/08/92/1412820892.db2.gz GDTCDXLATWMPIT-HUUCEWRRSA-N 0 0 390.405 3.360 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000139995151 1417484373 /nfs/dbraw/zinc/48/43/73/1417484373.db2.gz FIRVMXGERAANTI-HXUWFJFHSA-N 0 0 399.466 3.375 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000139995305 1417484467 /nfs/dbraw/zinc/48/44/67/1417484467.db2.gz FIRVMXGERAANTI-FQEVSTJZSA-N 0 0 399.466 3.375 10 10 GGCERN CO[C@H]1C(=O)N(c2cccc(F)c2)C12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC000169786962 1425256533 /nfs/dbraw/zinc/25/65/33/1425256533.db2.gz VCSQFOJMZDVGHG-IBGZPJMESA-N 0 0 388.414 3.067 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)CC2)cc1 ZINC000171526002 1425717522 /nfs/dbraw/zinc/71/75/22/1425717522.db2.gz GPDSVPZOBVXSTH-UHFFFAOYSA-N 0 0 394.475 3.324 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000192426088 1432843690 /nfs/dbraw/zinc/84/36/90/1432843690.db2.gz HRQNPFMOICPJEU-UHFFFAOYSA-N 0 0 380.370 3.463 10 10 GGCERN CS(=O)(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000206643341 1433353886 /nfs/dbraw/zinc/35/38/86/1433353886.db2.gz RHQJJWSCEAEJJX-UHFFFAOYSA-N 0 0 393.420 3.315 10 10 GGCERN COc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3)CC2)cc1 ZINC000240747743 1433446107 /nfs/dbraw/zinc/44/61/07/1433446107.db2.gz ARXQQJXCJZBTSK-UHFFFAOYSA-N 0 0 380.897 3.168 10 10 GGCERN CCOc1ccc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)cc1 ZINC000242881040 1433447751 /nfs/dbraw/zinc/44/77/51/1433447751.db2.gz GLUNNYJNNODXCT-UHFFFAOYSA-N 0 0 385.464 3.457 10 10 GGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)cc1 ZINC000243089215 1433448565 /nfs/dbraw/zinc/44/85/65/1433448565.db2.gz IVIQIQLWOAIXKH-UHFFFAOYSA-N 0 0 383.448 3.226 10 10 GGCERN CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000243072654 1433448579 /nfs/dbraw/zinc/44/85/79/1433448579.db2.gz IMAXHNOWVGRUDY-UHFFFAOYSA-N 0 0 378.469 3.044 10 10 GGCERN CCOc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)cc1 ZINC000244164363 1433451705 /nfs/dbraw/zinc/45/17/05/1433451705.db2.gz UZUYLFRNBJDQET-UHFFFAOYSA-N 0 0 385.464 3.457 10 10 GGCERN CCCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000244254781 1433452113 /nfs/dbraw/zinc/45/21/13/1433452113.db2.gz WJDFXLZDFSMLJE-UHFFFAOYSA-N 0 0 389.521 3.174 10 10 GGCERN CCOc1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000244396128 1433452724 /nfs/dbraw/zinc/45/27/24/1433452724.db2.gz YHPWTULPVKCFGA-UHFFFAOYSA-N 0 0 380.897 3.250 10 10 GGCERN COc1ccc(N2CCN(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000248093977 1433769279 /nfs/dbraw/zinc/76/92/79/1433769279.db2.gz GBNJQECFNIHGTE-KRWDZBQOSA-N 0 0 385.483 3.176 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1 ZINC000248126017 1433771969 /nfs/dbraw/zinc/77/19/69/1433771969.db2.gz HSYVMIMXVPQOGW-QFIPXVFZSA-N 0 0 396.487 3.215 10 10 GGCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000263973582 1434055836 /nfs/dbraw/zinc/05/58/36/1434055836.db2.gz BPZVJLJLBOZMAN-UHFFFAOYSA-N 0 0 388.533 3.137 10 10 GGCERN COc1cc(N(C)Cc2csc(N(C(C)=O)C3CC3)n2)cc(OC)c1OC ZINC000265995729 1434294216 /nfs/dbraw/zinc/29/42/16/1434294216.db2.gz HPEGQOVMVHJWMV-UHFFFAOYSA-N 0 0 391.493 3.321 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccncc3)CC2)cc1 ZINC000268700124 1434548329 /nfs/dbraw/zinc/54/83/29/1434548329.db2.gz FBCIABKAARAZMC-UHFFFAOYSA-N 0 0 378.432 3.016 10 10 GGCERN c1nc(SCc2nnc3n2CCOC3)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000280524477 1435673309 /nfs/dbraw/zinc/67/33/09/1435673309.db2.gz GCIDPYISDKSKLR-MRXNPFEDSA-N 0 0 397.504 3.143 10 10 GGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282396158 1435845688 /nfs/dbraw/zinc/84/56/88/1435845688.db2.gz DILSZKUYLYXYTG-RJQBWVTCSA-N 0 0 396.462 3.010 10 10 GGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000282396152 1435845689 /nfs/dbraw/zinc/84/56/89/1435845689.db2.gz DILSZKUYLYXYTG-HMUBQBSKSA-N 0 0 396.462 3.010 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccccc3Oc3cnn(C)c3)CC2)cc1 ZINC000282476030 1435848537 /nfs/dbraw/zinc/84/85/37/1435848537.db2.gz BYGPACRZOVKQRN-UHFFFAOYSA-N 0 0 392.459 3.183 10 10 GGCERN CN(C)c1cc(F)c(C[NH2+][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1F ZINC000864506323 1126112952 /nfs/dbraw/zinc/11/29/52/1126112952.db2.gz MRDFNWUMBQAGQJ-SFHVURJKSA-N 0 0 391.393 3.437 10 10 GGCERN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756382005 1126108248 /nfs/dbraw/zinc/10/82/48/1126108248.db2.gz XWCLUTZLCLTMBE-LJQANCHMSA-N 0 0 392.858 3.101 10 10 GGCERN O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904029963 1126132270 /nfs/dbraw/zinc/13/22/70/1126132270.db2.gz AZGRALYZPXOVFL-FQEVSTJZSA-N 0 0 393.512 3.491 10 10 GGCERN O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904029965 1126132303 /nfs/dbraw/zinc/13/23/03/1126132303.db2.gz AZGRALYZPXOVFL-HXUWFJFHSA-N 0 0 393.512 3.491 10 10 GGCERN CCN(C(=O)[O-])c1cc2c(c(N)[nH+]1)N=C(CN(C)c1ccc(OC)cc1)[C@H](C)N2 ZINC000090449874 209114284 /nfs/dbraw/zinc/11/42/84/209114284.db2.gz PENKHHJSYLDYBD-LBPRGKRZSA-N 0 0 398.467 3.200 10 10 GGCERN COc1cccc(C(=O)NN2C(=O)/C(=C/c3cc(C)[nH]c3C)SC2=S)c1 ZINC000096861805 206302487 /nfs/dbraw/zinc/30/24/87/206302487.db2.gz DVFIJBZSRWLJKB-DHDCSXOGSA-N 0 0 387.486 3.186 10 10 GGCERN NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)CC1 ZINC000001165243 206362274 /nfs/dbraw/zinc/36/22/74/206362274.db2.gz OFLRTEVPMRNJKS-QPEQYQDCSA-N 0 0 384.288 3.161 10 10 GGCERN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000002635185 206423726 /nfs/dbraw/zinc/42/37/26/206423726.db2.gz NPLWSQSHTUVETC-UHFFFAOYSA-N 0 0 382.441 3.431 10 10 GGCERN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)n3cnc4ccccc43)ccc21 ZINC000004323121 206514790 /nfs/dbraw/zinc/51/47/90/206514790.db2.gz MEJJJPLJYIBPBN-UHFFFAOYSA-N 0 0 388.404 3.049 10 10 GGCERN O=C(CCCOc1ccccc1)NC1=N[C@H](c2ccc(Cl)cc2)CC(=O)N1 ZINC000006869107 206687661 /nfs/dbraw/zinc/68/76/61/206687661.db2.gz NNFFEVITYCGUOV-KRWDZBQOSA-N 0 0 385.851 3.232 10 10 GGCERN CCOc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000012638356 206922042 /nfs/dbraw/zinc/92/20/42/206922042.db2.gz UWGUJYFAGHGQNR-UHFFFAOYSA-N 0 0 384.476 3.203 10 10 GGCERN CO[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC(=O)N(Cc2ccccc2)C1 ZINC000014749885 207030323 /nfs/dbraw/zinc/03/03/23/207030323.db2.gz ULDPRWNAPOSING-KXOMFBTKSA-N 0 0 393.531 3.125 10 10 GGCERN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCCCC3)=NN21 ZINC000020356473 207189585 /nfs/dbraw/zinc/18/95/85/207189585.db2.gz AOTDTDJUAPEWQS-NIIVYLOLSA-N 0 0 378.461 3.230 10 10 GGCERN COc1ccc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 ZINC000020356716 207190462 /nfs/dbraw/zinc/19/04/62/207190462.db2.gz PCQHMGASTGODEI-UMWCEBECSA-N 0 0 383.477 3.004 10 10 GGCERN Cc1cccc(C(=O)NC2=N[C@@H](c3ccc(Br)cc3)CC(=O)N2)c1 ZINC000020924521 207219517 /nfs/dbraw/zinc/21/95/17/207219517.db2.gz FXBAYXJYECIBHT-OAHLLOKOSA-N 0 0 386.249 3.105 10 10 GGCERN CCc1ccc([C@@H]2CC(=O)NC(NC(=O)CCCOc3ccccc3)=N2)cc1 ZINC000020924480 207219891 /nfs/dbraw/zinc/21/98/91/207219891.db2.gz LESJXPNCDPFMJG-IBGZPJMESA-N 0 0 379.460 3.141 10 10 GGCERN Cc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)c(C)c1 ZINC000021537330 207230982 /nfs/dbraw/zinc/23/09/82/207230982.db2.gz YTHRCZFQYTXEJD-UHFFFAOYSA-N 0 0 395.444 3.025 10 10 GGCERN O=S(=O)(c1cccs1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000025719057 207305882 /nfs/dbraw/zinc/30/58/82/207305882.db2.gz GZHGVLPAASHJNN-UHFFFAOYSA-N 0 0 388.514 3.113 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000027520513 207325564 /nfs/dbraw/zinc/32/55/64/207325564.db2.gz NZTKQLNJOKJXQK-AQTBWJFISA-N 0 0 380.404 3.441 10 10 GGCERN CNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2)C1 ZINC000033264604 207446742 /nfs/dbraw/zinc/44/67/42/207446742.db2.gz ZITWACAAWVNUPS-FQEVSTJZSA-N 0 0 394.519 3.201 10 10 GGCERN O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccn1 ZINC000033331151 207455035 /nfs/dbraw/zinc/45/50/35/207455035.db2.gz UJESOKFXSZJUBX-UJHPFZFGSA-N 0 0 381.482 3.478 10 10 GGCERN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOC(C)=O ZINC000033457770 207459494 /nfs/dbraw/zinc/45/94/94/207459494.db2.gz KFRNRNVDTSUAKJ-CPNJWEJPSA-N 0 0 394.427 3.443 10 10 GGCERN O=C(NC1CCCCCC1)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239716 207847745 /nfs/dbraw/zinc/84/77/45/207847745.db2.gz OQFKYCNZHKNDDO-UHFFFAOYSA-N 0 0 378.469 3.264 10 10 GGCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)cc1 ZINC000065330770 207864838 /nfs/dbraw/zinc/86/48/38/207864838.db2.gz NWACUBCVMBDJQX-MRXNPFEDSA-N 0 0 395.532 3.290 10 10 GGCERN O=C1CN(Cc2ccc(Br)cc2)[C@@H](c2cc(O)c(O)c(Cl)c2)N1 ZINC000084398242 208091844 /nfs/dbraw/zinc/09/18/44/208091844.db2.gz RRUSVWGLYFONOM-INIZCTEOSA-N 0 0 397.656 3.144 10 10 GGCERN Cc1cc(C(=O)NCc2noc(C3CC3)n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000095449673 208182780 /nfs/dbraw/zinc/18/27/80/208182780.db2.gz IIYGYLKWAZGRIK-UHFFFAOYSA-N 0 0 394.431 3.056 10 10 GGCERN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1cccnc1 ZINC000095946358 208242903 /nfs/dbraw/zinc/24/29/03/208242903.db2.gz XWXKSOUCNGDAFZ-IBGZPJMESA-N 0 0 379.441 3.327 10 10 GGCERN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000096879160 208324613 /nfs/dbraw/zinc/32/46/13/208324613.db2.gz AGENZQQSWQZNMN-GHXNOFRVSA-N 0 0 381.520 3.161 10 10 GGCERN CCN1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 ZINC000100712936 208379712 /nfs/dbraw/zinc/37/97/12/208379712.db2.gz IAIBUKMRSWZUFT-NVWMPKGRSA-N 0 0 391.475 3.371 10 10 GGCERN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(F)cc1 ZINC000101842500 208397502 /nfs/dbraw/zinc/39/75/02/208397502.db2.gz YGQZLKIEZNKRKA-DEDYPNTBSA-N 0 0 397.406 3.486 10 10 GGCERN COCCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 ZINC000101842604 208397513 /nfs/dbraw/zinc/39/75/13/208397513.db2.gz VNLQVMROITYDLE-CAPFRKAQSA-N 0 0 379.460 3.346 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1nc2ccccc2o1 ZINC000012553819 221205936 /nfs/dbraw/zinc/20/59/36/221205936.db2.gz GMFDQNIIJWJMLL-ZHACJKMWSA-N 0 0 377.444 3.336 10 10 GGCERN O=C1CN(c2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CCN1 ZINC000040091269 132395384 /nfs/dbraw/zinc/39/53/84/132395384.db2.gz KUZQEYISKCYUAI-UHFFFAOYSA-N 0 0 384.789 3.302 10 10 GGCERN CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)Nc1nncs1 ZINC000058050756 136154301 /nfs/dbraw/zinc/15/43/01/136154301.db2.gz UBGWVRBNQWVUCK-UHFFFAOYSA-N 0 0 375.498 3.207 10 10 GGCERN COc1ccc(N2CCN([C@@H](CNC(=O)C(C)(C)C)c3cccnc3)CC2)cc1 ZINC000058133924 136154573 /nfs/dbraw/zinc/15/45/73/136154573.db2.gz MKOBLDIBGQQWLO-NRFANRHFSA-N 0 0 396.535 3.116 10 10 GGCERN CN1CCCc2cc(/C=C/C(=O)OCC(=O)Nc3cccnc3Cl)ccc21 ZINC000064184104 136156719 /nfs/dbraw/zinc/15/67/19/136156719.db2.gz LCCIEOHFWBVTAU-VQHVLOKHSA-N 0 0 385.851 3.313 10 10 GGCERN O=C(C1=CN(c2ccccc2F)c2cc(F)ccc2S1(=O)=O)N1CCCC1 ZINC000065096272 136159074 /nfs/dbraw/zinc/15/90/74/136159074.db2.gz SCSZZBINGDQQEI-UHFFFAOYSA-N 0 0 390.411 3.354 10 10 GGCERN CCN(CC)c1cc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000065270046 136162260 /nfs/dbraw/zinc/16/22/60/136162260.db2.gz ZIDMCFPRLSHHCL-UHFFFAOYSA-N 0 0 396.535 3.013 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000096932174 136188003 /nfs/dbraw/zinc/18/80/03/136188003.db2.gz ISTALJAQEHWJQC-UITAMQMPSA-N 0 0 378.472 3.130 10 10 GGCERN Cc1nn(C)c(C)c1/C=C\C(=O)N1CCCc2c(C(=O)NC(C)C)cccc21 ZINC000096937017 136188022 /nfs/dbraw/zinc/18/80/22/136188022.db2.gz AGESINDNLMLPJT-QXMHVHEDSA-N 0 0 380.492 3.168 10 10 GGCERN COc1ccc(N2CCN(c3nc(C(=O)NC4CCCC4)cs3)CC2)cc1 ZINC000065211516 536702303 /nfs/dbraw/zinc/70/23/03/536702303.db2.gz IKOKIXLYQZCQHE-UHFFFAOYSA-N 0 0 386.521 3.151 10 10 GGCERN O=C1C(=O)c2cc(Br)cc([N+](=O)[O-])c2-c2ccc([N+](=O)[O-])cc21 ZINC000004867026 564208260 /nfs/dbraw/zinc/20/82/60/564208260.db2.gz IPJXDCYQYIWPAF-UHFFFAOYSA-N 0 0 377.106 3.312 10 10 GGCERN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)SC1=S ZINC000005807199 564219489 /nfs/dbraw/zinc/21/94/89/564219489.db2.gz KHFBCAUVPWAPCZ-RIYZIHGNSA-N 0 0 375.475 3.315 10 10 GGCERN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C(=N)N12 ZINC000032945423 564407378 /nfs/dbraw/zinc/40/73/78/564407378.db2.gz CKUZMWHMRXMYIM-WAVHHOPUSA-N 0 0 379.423 3.154 10 10 GGCERN Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)(=O)[C@H](C)C2)cs1 ZINC000122320510 564409072 /nfs/dbraw/zinc/40/90/72/564409072.db2.gz CEDOHMKGZFTJRA-GFCCVEGCSA-N 0 0 396.559 3.003 10 10 GGCERN O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1cccnc1 ZINC000033306078 564413298 /nfs/dbraw/zinc/41/32/98/564413298.db2.gz JSQPWNVDEYPGIU-MDWZMJQESA-N 0 0 375.862 3.281 10 10 GGCERN C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000369321376 565087015 /nfs/dbraw/zinc/08/70/15/565087015.db2.gz IFCTYKYZRFWPDH-FJHFEUQMSA-N 0 0 386.279 3.070 10 10 GGCERN O=C(Cc1cscc1Br)NCc1ccc(N2CCOCC2)cc1 ZINC000292797923 565134102 /nfs/dbraw/zinc/13/41/02/565134102.db2.gz RZQQQJBUVAWJQZ-UHFFFAOYSA-N 0 0 395.322 3.206 10 10 GGCERN C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000185023600 565172452 /nfs/dbraw/zinc/17/24/52/565172452.db2.gz MXMRDMRCAOXDTH-LLVKDONJSA-N 0 0 395.276 3.403 10 10 GGCERN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)cc(F)c1[O-] ZINC000185025564 565173232 /nfs/dbraw/zinc/17/32/32/565173232.db2.gz HQXRGJITPLPXKN-JTQLQIEISA-N 0 0 392.232 3.120 10 10 GGCERN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185072757 565176749 /nfs/dbraw/zinc/17/67/49/565176749.db2.gz AJTVHDFZBHPKHZ-UHFFFAOYSA-N 0 0 386.254 3.360 10 10 GGCERN C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186051114 565237336 /nfs/dbraw/zinc/23/73/36/565237336.db2.gz LSJFAGHEYBWCNE-DGCLKSJQSA-N 0 0 395.276 3.403 10 10 GGCERN Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC000160403946 565244311 /nfs/dbraw/zinc/24/43/11/565244311.db2.gz KZGOVMMEJDKABW-INIZCTEOSA-N 0 0 388.265 3.275 10 10 GGCERN Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc1 ZINC000160403825 565244456 /nfs/dbraw/zinc/24/44/56/565244456.db2.gz KZGOVMMEJDKABW-MRXNPFEDSA-N 0 0 388.265 3.275 10 10 GGCERN C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273457891 565321028 /nfs/dbraw/zinc/32/10/28/565321028.db2.gz HIVMTBWCDNFIOV-BMIGLBTASA-N 0 0 381.226 3.447 10 10 GGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000273447739 565321205 /nfs/dbraw/zinc/32/12/05/565321205.db2.gz FJPZSFYJXMNYFP-BZNIZROVSA-N 0 0 394.265 3.326 10 10 GGCERN C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273457898 565321756 /nfs/dbraw/zinc/32/17/56/565321756.db2.gz HIVMTBWCDNFIOV-ZUZCIYMTSA-N 0 0 381.226 3.447 10 10 GGCERN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](c1nccs1)C(F)(F)F ZINC000296783180 565336591 /nfs/dbraw/zinc/33/65/91/565336591.db2.gz GLZDTXVMNMOMRT-PRHODGIISA-N 0 0 375.372 3.088 10 10 GGCERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(Br)ccc1O ZINC000375258267 565378152 /nfs/dbraw/zinc/37/81/52/565378152.db2.gz MGTCAQPPZDJWGN-HNNXBMFYSA-N 0 0 380.286 3.079 10 10 GGCERN CCN1C(=O)/C(=C\c2cccc(Cl)c2S(=O)(=O)CC)SC1=S ZINC000274730265 565378386 /nfs/dbraw/zinc/37/83/86/565378386.db2.gz CNQVKARVWWICSN-DHZHZOJOSA-N 0 0 375.924 3.355 10 10 GGCERN CN(C)c1ccc(CNC(=O)CSc2nnc(C(F)(F)F)s2)cc1 ZINC000188155393 565383543 /nfs/dbraw/zinc/38/35/43/565383543.db2.gz ALLYXTLKJZEXDU-UHFFFAOYSA-N 0 0 376.429 3.031 10 10 GGCERN COc1cc(Br)cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000188451399 565402382 /nfs/dbraw/zinc/40/23/82/565402382.db2.gz ROSWAYGAROMYEH-NSHDSACASA-N 0 0 395.301 3.455 10 10 GGCERN CO[C@@H](C)[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000276087683 565435408 /nfs/dbraw/zinc/43/54/08/565435408.db2.gz JMQPHPASYATAPV-XOYZKQBYSA-N 0 0 398.575 3.269 10 10 GGCERN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000277506399 565502528 /nfs/dbraw/zinc/50/25/28/565502528.db2.gz OIITXQFUEYPAED-QPUJVOFHSA-N 0 0 379.092 3.432 10 10 GGCERN CSCCCN1C(=O)/C(=C/c2c(Br)cnn2C)SC1=S ZINC000278192988 565543883 /nfs/dbraw/zinc/54/38/83/565543883.db2.gz GFSAHAZSAYFJHS-POHAHGRESA-N 0 0 392.369 3.137 10 10 GGCERN COc1ccc(N2CCCN(C(=O)c3coc(Br)c3)CC2)cc1 ZINC000193520451 565758875 /nfs/dbraw/zinc/75/88/75/565758875.db2.gz MCUMNTJMIHIEAV-UHFFFAOYSA-N 0 0 379.254 3.403 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nnc(OC)s1 ZINC000282976163 565805330 /nfs/dbraw/zinc/80/53/30/565805330.db2.gz ZIYLLAROYHWCKB-UHFFFAOYSA-N 0 0 387.259 3.069 10 10 GGCERN C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1 ZINC000285401606 565905667 /nfs/dbraw/zinc/90/56/67/565905667.db2.gz IJKLIRWUQNTCCH-INIZCTEOSA-N 0 0 381.226 3.060 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ncsc1Br ZINC000288580922 566080096 /nfs/dbraw/zinc/08/00/96/566080096.db2.gz HHDLWSPPPMBOBJ-UHFFFAOYSA-N 0 0 396.310 3.014 10 10 GGCERN Oc1ccc(Br)cc1CN1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180721283 566084669 /nfs/dbraw/zinc/08/46/69/566084669.db2.gz SFBIQTOAIQQBLB-ZBFHGGJFSA-N 0 0 382.254 3.072 10 10 GGCERN CO[C@@H](C)[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000291413899 566218899 /nfs/dbraw/zinc/21/88/99/566218899.db2.gz JMQPHPASYATAPV-YXEYPHJZSA-N 0 0 398.575 3.269 10 10 GGCERN CO[C@H](C)[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000291413897 566219035 /nfs/dbraw/zinc/21/90/35/566219035.db2.gz JMQPHPASYATAPV-QUVKRXKVSA-N 0 0 398.575 3.269 10 10 GGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(F)cncc1Br ZINC000631559272 566809347 /nfs/dbraw/zinc/80/93/47/566809347.db2.gz FPIXZYKDXSSYFD-UHFFFAOYSA-N 0 0 380.217 3.088 10 10 GGCERN O=C(c1ccnc2c1CC(=O)N2)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000614026975 567078829 /nfs/dbraw/zinc/07/88/29/567078829.db2.gz ISSFLECCTOHNQS-UHFFFAOYSA-N 0 0 398.260 3.421 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)Cn1ccc(C(F)F)n1 ZINC000528834421 567461645 /nfs/dbraw/zinc/46/16/45/567461645.db2.gz VNVFTPHFOGOALR-UHFFFAOYSA-N 0 0 388.212 3.338 10 10 GGCERN O=C1CN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CCN1 ZINC000048287646 570228124 /nfs/dbraw/zinc/22/81/24/570228124.db2.gz SLPRMHNWRKQCJB-UHFFFAOYSA-N 0 0 394.353 3.162 10 10 GGCERN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=C1C(=O)OC(C)(C)OC1=O ZINC000012893162 570286552 /nfs/dbraw/zinc/28/65/52/570286552.db2.gz VBNXTAFTDGZALK-UHFFFAOYSA-N 0 0 381.432 3.000 10 10 GGCERN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCC(C)C ZINC000103521884 570295593 /nfs/dbraw/zinc/29/55/93/570295593.db2.gz WBCNLYFIJKWQRW-SFQUDFHCSA-N 0 0 386.477 3.082 10 10 GGCERN O=C(c1ccco1)N(C[C@@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691991 570296388 /nfs/dbraw/zinc/29/63/88/570296388.db2.gz KMMHIYOMQWPDBA-IBGZPJMESA-N 0 0 384.476 3.271 10 10 GGCERN CCOC(CSc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O)OCC ZINC000004908493 570361643 /nfs/dbraw/zinc/36/16/43/570361643.db2.gz KFHPRUOICQXNQR-UHFFFAOYSA-N 0 0 388.441 3.364 10 10 GGCERN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=CSC3=NC2=O)o1 ZINC000005025807 570399473 /nfs/dbraw/zinc/39/94/73/570399473.db2.gz LOEZZEXQAFUFHN-WQCCMBDISA-N 0 0 381.373 3.412 10 10 GGCERN COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NC2CCCC2)C1=O ZINC000035638554 570405143 /nfs/dbraw/zinc/40/51/43/570405143.db2.gz GGMKAKJAEQCZDK-FOWTUZBSSA-N 0 0 390.530 3.345 10 10 GGCERN Cc1c(N2C(=O)/C(=C\c3ccco3)SC2=S)c(=O)n(-c2ccccc2)n1C ZINC000005171684 570430712 /nfs/dbraw/zinc/43/07/12/570430712.db2.gz AZYGZPXAGORTFJ-RVDMUPIBSA-N 0 0 397.481 3.483 10 10 GGCERN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000006477151 570446922 /nfs/dbraw/zinc/44/69/22/570446922.db2.gz ODLIYGSTGXRCIV-UHFFFAOYSA-N 0 0 395.371 3.388 10 10 GGCERN Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035960632 570488276 /nfs/dbraw/zinc/48/82/76/570488276.db2.gz WUPPQGSYGJTMKB-HXUWFJFHSA-N 0 0 395.507 3.061 10 10 GGCERN Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)NC(C)C)cc1 ZINC000035960631 570488323 /nfs/dbraw/zinc/48/83/23/570488323.db2.gz WUPPQGSYGJTMKB-FQEVSTJZSA-N 0 0 395.507 3.061 10 10 GGCERN Cc1ccc([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1 ZINC000035960334 570488708 /nfs/dbraw/zinc/48/87/08/570488708.db2.gz JSGQFPJCWPMSNF-OAQYLSRUSA-N 0 0 392.503 3.270 10 10 GGCERN CC(=O)N1CCN([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000034872561 570546253 /nfs/dbraw/zinc/54/62/53/570546253.db2.gz BNMZBHYHQLVSGG-INIZCTEOSA-N 0 0 387.911 3.483 10 10 GGCERN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1-n1nnc2cccnc21 ZINC000064896574 570583924 /nfs/dbraw/zinc/58/39/24/570583924.db2.gz SUJKATPBMBAJAX-UHFFFAOYSA-N 0 0 386.459 3.120 10 10 GGCERN CCOC(=O)c1c(C)c(CCC(=O)NCc2ccc(N(C)C)cc2)n(C)c1C ZINC000064970605 570620829 /nfs/dbraw/zinc/62/08/29/570620829.db2.gz JMVGPMUGTGEWMT-UHFFFAOYSA-N 0 0 385.508 3.134 10 10 GGCERN COc1ccc(Cl)cc1-n1c(C)cc(C(=O)N2CCN(C(C)=O)CC2)c1C ZINC000033023656 570651502 /nfs/dbraw/zinc/65/15/02/570651502.db2.gz WECSLLZILQZWAN-UHFFFAOYSA-N 0 0 389.883 3.060 10 10 GGCERN CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])[C@@H](CN=[N+]=[N-])O[C@@H]1OCc1ccccc1 ZINC000048546869 570659749 /nfs/dbraw/zinc/65/97/49/570659749.db2.gz NHAQKEYPUCFXEJ-FQKPHLNHSA-N 0 0 386.376 3.101 10 10 GGCERN Cc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1F ZINC000058046108 570707855 /nfs/dbraw/zinc/70/78/55/570707855.db2.gz BXBDQZGRQBSTQG-YESZJQIVSA-N 0 0 387.499 3.461 10 10 GGCERN Cc1cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1F ZINC000058046099 570707956 /nfs/dbraw/zinc/70/79/56/570707956.db2.gz BXBDQZGRQBSTQG-ZACQAIPSSA-N 0 0 387.499 3.461 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000058157674 570711662 /nfs/dbraw/zinc/71/16/62/570711662.db2.gz NFPFFCMQZSSWAL-NRFANRHFSA-N 0 0 397.500 3.013 10 10 GGCERN Cn1cc(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065170703 570719786 /nfs/dbraw/zinc/71/97/86/570719786.db2.gz VKKSPZHFVHAMBW-UHFFFAOYSA-N 0 0 375.472 3.459 10 10 GGCERN Cc1cccc(CNC(=O)C2=C3CCCN3c3ccc(F)cc3S2(=O)=O)c1 ZINC000065239758 570744557 /nfs/dbraw/zinc/74/45/57/570744557.db2.gz PQDDJJVTQRLYPH-UHFFFAOYSA-N 0 0 386.448 3.050 10 10 GGCERN CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 ZINC000007113445 570790784 /nfs/dbraw/zinc/79/07/84/570790784.db2.gz VZVGYIGTCONSCW-KRWDZBQOSA-N 0 0 379.382 3.244 10 10 GGCERN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)cc1 ZINC000065330771 570801340 /nfs/dbraw/zinc/80/13/40/570801340.db2.gz NWACUBCVMBDJQX-INIZCTEOSA-N 0 0 395.532 3.290 10 10 GGCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nnc(-c2cccs2)n1 ZINC000032772568 570805881 /nfs/dbraw/zinc/80/58/81/570805881.db2.gz LZSWPZOADIHGKJ-UHFFFAOYSA-N 0 0 396.520 3.051 10 10 GGCERN CN(C)c1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000007361699 570833727 /nfs/dbraw/zinc/83/37/27/570833727.db2.gz YGWJDNDSKOITAA-UHFFFAOYSA-N 0 0 398.898 3.057 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc(-c4noc(C)n4)cc3)CC2)cc1 ZINC000033254175 570862309 /nfs/dbraw/zinc/86/23/09/570862309.db2.gz ORESGBUFDDDVTQ-UHFFFAOYSA-N 0 0 378.432 3.016 10 10 GGCERN Cc1cc(C(=O)CN(C)S(=O)(=O)c2cccs2)c(C)n1-c1ccccn1 ZINC000012596117 570884624 /nfs/dbraw/zinc/88/46/24/570884624.db2.gz NVCHBVBXAPIXBD-UHFFFAOYSA-N 0 0 389.502 3.054 10 10 GGCERN Cc1nn(-c2ccccn2)c2ncc(C(=O)NCc3ccc(N(C)C)cc3)cc12 ZINC000032921984 570933932 /nfs/dbraw/zinc/93/39/32/570933932.db2.gz YBTACINIHGEVMF-UHFFFAOYSA-N 0 0 386.459 3.120 10 10 GGCERN CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccc(N(C)C)cc3)no2)cc1 ZINC000033283563 570958198 /nfs/dbraw/zinc/95/81/98/570958198.db2.gz DGWCMFVCZLNAGO-UHFFFAOYSA-N 0 0 393.491 3.118 10 10 GGCERN CN1CCN(C(=O)CCCN2C(=O)S/C(=C\c3ccccc3)C2=S)CC1 ZINC000033326808 570980999 /nfs/dbraw/zinc/98/09/99/570980999.db2.gz OZLCENYHWDQJRW-PEZBUJJGSA-N 0 0 389.546 3.078 10 10 GGCERN COc1cc(C=C2SC(NC3CCCC3)=NC2=O)c([N+](=O)[O-])cc1OC ZINC000208251299 570986774 /nfs/dbraw/zinc/98/67/74/570986774.db2.gz KCSAUDPKHPACHV-OVCLIPMQSA-N 0 0 377.422 3.115 10 10 GGCERN Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2ccccc2O)nn1-c1ccccc1F ZINC000084072158 570995118 /nfs/dbraw/zinc/99/51/18/570995118.db2.gz MMGLEMSXUPVEEU-CQSZACIVSA-N 0 0 381.407 3.219 10 10 GGCERN CCOC(=O)c1nc2ccccc2nc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000045901036 570999519 /nfs/dbraw/zinc/99/95/19/570999519.db2.gz VVGNTZNLDFPUKO-UHFFFAOYSA-N 0 0 392.459 3.142 10 10 GGCERN COc1ccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000008028564 1398793276 /nfs/dbraw/zinc/79/32/76/1398793276.db2.gz FCLQPSLHXNEMPN-ONNFQVAWSA-N 0 0 394.471 3.219 10 10 GGCERN Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccc(F)cc1 ZINC000008189232 1398812239 /nfs/dbraw/zinc/81/22/39/1398812239.db2.gz UPSUJHVMWULRNA-UHFFFAOYSA-N 0 0 391.406 3.471 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H]2CCCCN32)cc1 ZINC000008609718 1398841903 /nfs/dbraw/zinc/84/19/03/1398841903.db2.gz AZXMEKFLWDOGOL-FQEVSTJZSA-N 0 0 392.503 3.018 10 10 GGCERN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000008719945 1398844684 /nfs/dbraw/zinc/84/46/84/1398844684.db2.gz PHBIQOPEQWLCIU-UHFFFAOYSA-N 0 0 386.498 3.466 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1-c1ccccn1 ZINC000009338589 1398856733 /nfs/dbraw/zinc/85/67/33/1398856733.db2.gz PXIQAGGJPILXQM-UHFFFAOYSA-N 0 0 379.460 3.381 10 10 GGCERN CCc1ccccc1OCCSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000009641403 1398861784 /nfs/dbraw/zinc/86/17/84/1398861784.db2.gz LLQTTXGKVHQONV-UHFFFAOYSA-N 0 0 382.445 3.411 10 10 GGCERN CN(C)c1ccc(CNC(=O)c2cccc(NC(=O)C3=CSCCO3)c2)cc1 ZINC000009738689 1398865168 /nfs/dbraw/zinc/86/51/68/1398865168.db2.gz OYVWFQPQDOZMHQ-UHFFFAOYSA-N 0 0 397.500 3.226 10 10 GGCERN CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2c(C[NH+](C)C)c1[O-] ZINC000010037806 1398873616 /nfs/dbraw/zinc/87/36/16/1398873616.db2.gz BMDCSRQGMLNDDS-UHFFFAOYSA-N 0 0 390.443 3.370 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000043574186 1403787208 /nfs/dbraw/zinc/78/72/08/1403787208.db2.gz CBTLFFWNXPHBIS-UHFFFAOYSA-N 0 0 394.475 3.176 10 10 GGCERN COc1ccc(N2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000045348723 1404104294 /nfs/dbraw/zinc/10/42/94/1404104294.db2.gz DVLROUSUWPDMRJ-UHFFFAOYSA-N 0 0 383.883 3.252 10 10 GGCERN COCCOc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1 ZINC000047760583 1404928329 /nfs/dbraw/zinc/92/83/29/1404928329.db2.gz CDNONZOWPSHJTC-UHFFFAOYSA-N 0 0 399.491 3.383 10 10 GGCERN COC(=O)COc1cccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000048307879 1405138711 /nfs/dbraw/zinc/13/87/11/1405138711.db2.gz BSZMDHLFTBRLFM-UHFFFAOYSA-N 0 0 383.448 3.160 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(C)c(NC(C)=O)c3)CC2)cc1 ZINC000048370630 1405166759 /nfs/dbraw/zinc/16/67/59/1405166759.db2.gz FIJHMGBLWYIHCJ-UHFFFAOYSA-N 0 0 382.464 3.316 10 10 GGCERN CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccsc2)C(=O)N(C)C1=O ZINC000079068432 1409955199 /nfs/dbraw/zinc/95/51/99/1409955199.db2.gz LYFWWFAUQCXRIC-UHFFFAOYSA-N 0 0 392.440 3.035 10 10 GGCERN CCOc1ccc(O)c(CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000092590054 1410178191 /nfs/dbraw/zinc/17/81/91/1410178191.db2.gz AZRPNSUWVITIFN-UHFFFAOYSA-N 0 0 376.403 3.027 10 10 GGCERN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCn2c(cnc2C(F)(F)F)C1 ZINC000095993238 1410319729 /nfs/dbraw/zinc/31/97/29/1410319729.db2.gz VDACARJYBMAAQT-ZDUSSCGKSA-N 0 0 393.409 3.365 10 10 GGCERN COCCN1C(=O)/C(=C/c2cccc(OC)c2OC(F)F)SC1=S ZINC000096019575 1410322888 /nfs/dbraw/zinc/32/28/88/1410322888.db2.gz CTUNTGXCDGFBDA-FLIBITNWSA-N 0 0 375.418 3.144 10 10 GGCERN CN(C)c1ccc(/C=C\C(=O)N2CCN(C(=O)/C=C\c3cccs3)CC2)cc1 ZINC000098007842 1410394173 /nfs/dbraw/zinc/39/41/73/1410394173.db2.gz LGUBVDWFNQSGKA-QVOAAWBYSA-N 0 0 395.528 3.212 10 10 GGCERN O=C1/C(=C\c2cccc3cccnc23)SC(=S)N1CCCN1CCOCC1 ZINC000102722119 1410711391 /nfs/dbraw/zinc/71/13/91/1410711391.db2.gz QPPPDAOSARYALU-SAPNQHFASA-N 0 0 399.541 3.158 10 10 GGCERN COc1cccc(CNC(=O)c2ccc(C)c(I)c2)c1O ZINC000105649936 1411094712 /nfs/dbraw/zinc/09/47/12/1411094712.db2.gz AXSMUTQMNWUODK-UHFFFAOYSA-N 0 0 397.212 3.244 10 10 GGCERN O=C(NCCCSc1nccs1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000114374625 1412421182 /nfs/dbraw/zinc/42/11/82/1412421182.db2.gz GQQUBEDOKFHONX-HUUCEWRRSA-N 0 0 381.567 3.170 10 10 GGCERN COc1cc(Br)cc(CN2CCN(c3cccc(O)c3)CC2)c1O ZINC000121624731 1414204739 /nfs/dbraw/zinc/20/47/39/1414204739.db2.gz BWTMCIJCHXKGBC-UHFFFAOYSA-N 0 0 393.281 3.191 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccccc3-c3nnc(C)o3)CC2)cc1 ZINC000178001830 1428926252 /nfs/dbraw/zinc/92/62/52/1428926252.db2.gz FBGHBXPRGQOMNG-UHFFFAOYSA-N 0 0 378.432 3.016 10 10 GGCERN CCOc1ccc(O)c(CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000160352507 1424597657 /nfs/dbraw/zinc/59/76/57/1424597657.db2.gz BOHVLVQRAYJGQW-UHFFFAOYSA-N 0 0 393.487 3.159 10 10 GGCERN COc1ccc(N2CCN(C(=O)C[C@@H](C)C(=O)c3cccc(F)c3)CC2)cc1 ZINC000173617170 1426797768 /nfs/dbraw/zinc/79/77/68/1426797768.db2.gz GJGLGLZTEJEUQB-MRXNPFEDSA-N 0 0 384.451 3.392 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000176123092 1428097181 /nfs/dbraw/zinc/09/71/81/1428097181.db2.gz FOYUCMLQPZMJCN-UHFFFAOYSA-N 0 0 380.423 3.187 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cccc(NC(C)=O)c3C)CC2)cc1 ZINC000192945747 1432911344 /nfs/dbraw/zinc/91/13/44/1432911344.db2.gz FNKXUCFBTUJBKE-UHFFFAOYSA-N 0 0 382.464 3.316 10 10 GGCERN COc1cc(N(C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc(OC)c1OC ZINC000225414239 1433366865 /nfs/dbraw/zinc/36/68/65/1433366865.db2.gz FMEVFQFNHPCMSD-UHFFFAOYSA-N 0 0 385.416 3.469 10 10 GGCERN COc1ccc(N2CCN(c3ccnc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000242433088 1433446409 /nfs/dbraw/zinc/44/64/09/1433446409.db2.gz BKHGJGQVGUPZHU-UHFFFAOYSA-N 0 0 380.492 3.043 10 10 GGCERN CCOC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000242972000 1433448016 /nfs/dbraw/zinc/44/80/16/1433448016.db2.gz HNNZQMAKGIYZQM-UHFFFAOYSA-N 0 0 383.448 3.226 10 10 GGCERN CN(C)c1ccc(C=c2sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000252669315 1433864263 /nfs/dbraw/zinc/86/42/63/1433864263.db2.gz HCZXVJAKQGGMGJ-UHFFFAOYSA-N 0 0 382.876 3.085 10 10 GGCERN Cc1ccc(NC(=O)COC(=O)c2ccccc2N=NN(C)C)cc1[N+](=O)[O-] ZINC000254293389 1433870839 /nfs/dbraw/zinc/87/08/39/1433870839.db2.gz VJMQSUFGWHQFAR-UHFFFAOYSA-N 0 0 385.380 3.259 10 10 GGCERN COc1ccc(N2CCN(CCNC(=O)c3sccc3SC)CC2)cc1 ZINC000264344028 1434099677 /nfs/dbraw/zinc/09/96/77/1434099677.db2.gz BNEDENSSZOSUEH-UHFFFAOYSA-N 0 0 391.562 3.031 10 10 GGCERN COc1ccc(-c2noc(CN(C)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000265985769 1434292700 /nfs/dbraw/zinc/29/27/00/1434292700.db2.gz HGJXKOAVRLLZLM-UHFFFAOYSA-N 0 0 385.420 3.407 10 10 GGCERN CCc1c(C(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)[nH]c(C)c1C(C)=O ZINC000267905351 1434475576 /nfs/dbraw/zinc/47/55/76/1434475576.db2.gz CZILMLHEILBNBZ-UHFFFAOYSA-N 0 0 388.464 3.433 10 10 GGCERN C[C@@H]1CN(c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000267913401 1434476372 /nfs/dbraw/zinc/47/63/72/1434476372.db2.gz GBDLRVZNTQMSIM-HUUCEWRRSA-N 0 0 385.464 3.076 10 10 GGCERN COc1cc(N(C)C[C@H](O)COc2cccc3[nH]ccc32)cc(OC)c1OC ZINC000268409013 1434520020 /nfs/dbraw/zinc/52/00/20/1434520020.db2.gz AGSZEIJSAZVHRB-HNNXBMFYSA-N 0 0 386.448 3.070 10 10 GGCERN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc(Cl)c3)c2)CC1 ZINC000275389766 1435136108 /nfs/dbraw/zinc/13/61/08/1435136108.db2.gz BDZDTNAHRSKKKG-UHFFFAOYSA-N 0 0 375.831 3.400 10 10 GGCERN Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(C)ccc3O)C2=O)o1 ZINC000016922425 210199086 /nfs/dbraw/zinc/19/90/86/210199086.db2.gz PYJJYVZXAYWAHV-NVNXTCNLSA-N 0 0 388.470 3.442 10 10 GGCERN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cc(Cl)ccc1O ZINC000016922338 210198917 /nfs/dbraw/zinc/19/89/17/210198917.db2.gz DNEHESCKSZMXOI-QPEQYQDCSA-N 0 0 394.861 3.479 10 10 GGCERN CCc1ccc(OCCSc2nc(-c3ccco3)nc3cc(=O)[nH]n32)cc1 ZINC000015732585 210166084 /nfs/dbraw/zinc/16/60/84/210166084.db2.gz WBYFOTJRZXTEIZ-UHFFFAOYSA-N 0 0 382.445 3.411 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3noc4c3CCc3sccc3-4)CC2)cc1 ZINC000015733190 210165592 /nfs/dbraw/zinc/16/55/92/210165592.db2.gz PNNAPUKIZLFVJI-UHFFFAOYSA-N 0 0 395.484 3.473 10 10 GGCERN Cc1cc(C(=O)CN2CCN(c3ncccn3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000012634840 209988929 /nfs/dbraw/zinc/98/89/29/209988929.db2.gz XBCSGUZVYLOPLE-UHFFFAOYSA-N 0 0 389.503 3.197 10 10 GGCERN C=C1C(NCc2ccc(N(C)C)cc2)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009251793 209821377 /nfs/dbraw/zinc/82/13/77/209821377.db2.gz SJVJFTLTDHVFEA-UHFFFAOYSA-N 0 0 385.489 3.024 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C(N)=O)cc3)c2C)cc1 ZINC000006290081 209642355 /nfs/dbraw/zinc/64/23/55/209642355.db2.gz KRRLEOJOWFTOOU-UHFFFAOYSA-N 0 0 378.428 3.463 10 10 GGCERN CCc1nn2c(nc(CSc3ncc(-c4ccccc4)n3C)cc2=O)s1 ZINC000005117952 209570227 /nfs/dbraw/zinc/57/02/27/209570227.db2.gz BNLUTISCNIQGBV-UHFFFAOYSA-N 0 0 383.502 3.406 10 10 GGCERN Cc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000004297660 209477539 /nfs/dbraw/zinc/47/75/39/209477539.db2.gz GIMYEQQPBYWWOW-UHFFFAOYSA-N 0 0 397.475 3.328 10 10 GGCERN COCCN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S ZINC000096930795 209241766 /nfs/dbraw/zinc/24/17/66/209241766.db2.gz WYDNJBPJEVSTFT-XFFZJAGNSA-N 0 0 376.272 3.436 10 10 GGCERN CN1CCc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccc(Cl)c3)ccc21 ZINC000225387859 209186664 /nfs/dbraw/zinc/18/66/64/209186664.db2.gz IKCUPPXBYJVJQB-RXVVDRJESA-N 0 0 397.906 3.168 10 10 GGCERN COc1cc(OC)c(OC)cc1/C=C1/SC(N2CCC[C@H](C)C2)=NC1=O ZINC000033563780 211947533 /nfs/dbraw/zinc/94/75/33/211947533.db2.gz OORGEFKJKYQRFI-UWONZBIMSA-N 0 0 376.478 3.415 10 10 GGCERN CCCC1=NN2C(=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=N)S1 ZINC000033332224 211945679 /nfs/dbraw/zinc/94/56/79/211945679.db2.gz QTCGOSFTLCSXBC-DHIYZDIGSA-N 0 0 388.449 3.132 10 10 GGCERN Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000035286743 210679378 /nfs/dbraw/zinc/67/93/78/210679378.db2.gz VMPBHZGPCVQSLJ-UHFFFAOYSA-N 0 0 379.504 3.139 10 10 GGCERN COc1cccc(-n2c(C)cc(C(=O)NCCc3nnc4ccccn43)c2C)c1 ZINC000032425484 210575008 /nfs/dbraw/zinc/57/50/08/210575008.db2.gz LKSNKKAVXSHXOY-UHFFFAOYSA-N 0 0 389.459 3.118 10 10 GGCERN Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000021670532 210388626 /nfs/dbraw/zinc/38/86/26/210388626.db2.gz MCIBPGSIHNDNIK-HZPDHXFCSA-N 0 0 384.476 3.157 10 10 GGCERN COc1ccc(N2CCN(c3nc(-c4ccc(OC)c(OC)c4)no3)CC2)cc1 ZINC000020930954 210371001 /nfs/dbraw/zinc/37/10/01/210371001.db2.gz LPNGIOCDTNWVQW-UHFFFAOYSA-N 0 0 396.447 3.089 10 10 GGCERN CCc1nnc2c3ccccc3nc(N3CCN(c4ccc(OC)cc4)CC3)n12 ZINC000020943035 210371053 /nfs/dbraw/zinc/37/10/53/210371053.db2.gz KNJPOUHQUIDNEC-UHFFFAOYSA-N 0 0 388.475 3.175 10 10 GGCERN CCc1ccc([C@H]2CC(=O)NC(NC(=O)CCCOc3ccccc3)=N2)cc1 ZINC000020924486 210368832 /nfs/dbraw/zinc/36/88/32/210368832.db2.gz LESJXPNCDPFMJG-LJQANCHMSA-N 0 0 379.460 3.141 10 10 GGCERN CCOC(=O)CCNC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000020860423 210364510 /nfs/dbraw/zinc/36/45/10/210364510.db2.gz ASNGNHFJFAAGMN-UHFFFAOYSA-N 0 0 377.872 3.500 10 10 GGCERN Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C ZINC000020603911 210351017 /nfs/dbraw/zinc/35/10/17/210351017.db2.gz KSGASSFAMZDLRM-JOCHJYFZSA-N 0 0 381.520 3.173 10 10 GGCERN Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 ZINC000020603856 210350385 /nfs/dbraw/zinc/35/03/85/210350385.db2.gz GXGFFMACMFOLGL-QFIPXVFZSA-N 0 0 381.520 3.173 10 10 GGCERN COC(=O)c1cnc(N2CCN(c3ccc(OC)cc3)CC2)c2ccccc12 ZINC000020604770 210350342 /nfs/dbraw/zinc/35/03/42/210350342.db2.gz PAVAHWOBRSNSLE-UHFFFAOYSA-N 0 0 377.444 3.357 10 10 GGCERN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000020603881 210350348 /nfs/dbraw/zinc/35/03/48/210350348.db2.gz ZEQJYBJQPBGEID-FQEVSTJZSA-N 0 0 387.911 3.209 10 10 GGCERN Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C ZINC000020603914 210350157 /nfs/dbraw/zinc/35/01/57/210350157.db2.gz KSGASSFAMZDLRM-QFIPXVFZSA-N 0 0 381.520 3.173 10 10 GGCERN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCOCC2)cc1 ZINC000020603775 210349860 /nfs/dbraw/zinc/34/98/60/210349860.db2.gz MDZDFOKZEMVOIW-FQEVSTJZSA-N 0 0 387.911 3.209 10 10 GGCERN CC1CCN(C2=NN3C(=NC(=O)/C(=C/c4ccc(N(C)C)cc4)C3=N)S2)CC1 ZINC000020356714 210328439 /nfs/dbraw/zinc/32/84/39/210328439.db2.gz ZPOQTOSGHJAFTM-PZNVHLGOSA-N 0 0 396.520 3.061 10 10 GGCERN COc1ccc(-c2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)o2)c([N+](=O)[O-])c1 ZINC000020238657 210324996 /nfs/dbraw/zinc/32/49/96/210324996.db2.gz SKCHWJQSVSRRQQ-DFRCNRDPSA-N 0 0 397.372 3.112 10 10 GGCERN COc1cccc(OCCn2cccc2/C=C2/C(=N)N3OC(C)=CC3=NC2=O)c1 ZINC000020236973 210324524 /nfs/dbraw/zinc/32/45/24/210324524.db2.gz VURACSLXVPCCIZ-OUCYFQBSSA-N 0 0 392.415 3.026 10 10 GGCERN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N2O1 ZINC000020236579 210323543 /nfs/dbraw/zinc/32/35/43/210323543.db2.gz RGGXRWUCBWLLFL-MQIWZSEOSA-N 0 0 391.358 3.495 10 10 GGCERN Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)n1 ZINC000058243946 136155172 /nfs/dbraw/zinc/15/51/72/136155172.db2.gz MKLXESPUUADUFA-UHFFFAOYSA-N 0 0 379.439 3.435 10 10 GGCERN CCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1 ZINC000065269936 136162245 /nfs/dbraw/zinc/16/22/45/136162245.db2.gz LLVGCMXLVBPJHL-UHFFFAOYSA-N 0 0 396.535 3.218 10 10 GGCERN CC(=O)N1CCN(c2ccc(CNc3ncnc4c(C)cccc34)cc2)CC1 ZINC000170604537 136199035 /nfs/dbraw/zinc/19/90/35/136199035.db2.gz LDNZAEFWJLSFKJ-UHFFFAOYSA-N 0 0 375.476 3.219 10 10 GGCERN COc1ccc(N2CCN(C(=O)/C=C\c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000096557638 536675061 /nfs/dbraw/zinc/67/50/61/536675061.db2.gz FCLQPSLHXNEMPN-WMZJFQQLSA-N 0 0 394.471 3.219 10 10 GGCERN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000057547810 536701057 /nfs/dbraw/zinc/70/10/57/536701057.db2.gz ANNHOWLPPJDSTI-INIZCTEOSA-N 0 0 381.476 3.047 10 10 GGCERN CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1O ZINC000004825857 564207455 /nfs/dbraw/zinc/20/74/55/564207455.db2.gz VLEAKKUHCJSBFR-XQVAPKGHSA-N 0 0 376.463 3.121 10 10 GGCERN C[C@@H]1SCCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)[C@H]1C ZINC000118289857 564238530 /nfs/dbraw/zinc/23/85/30/564238530.db2.gz UVFUNBJXSPWQTI-GJZGRUSLSA-N 0 0 378.563 3.367 10 10 GGCERN COc1cc(Br)cc(CN2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457603 564886856 /nfs/dbraw/zinc/88/68/56/564886856.db2.gz FTRKKFCNETUCSS-QGZVFWFLSA-N 0 0 394.265 3.442 10 10 GGCERN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000369321378 565086601 /nfs/dbraw/zinc/08/66/01/565086601.db2.gz IFCTYKYZRFWPDH-YAXFVEMYSA-N 0 0 386.279 3.070 10 10 GGCERN COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185775361 565219920 /nfs/dbraw/zinc/21/99/20/565219920.db2.gz YAXINCWIAXGRQH-NOZJJQNGSA-N 0 0 399.264 3.217 10 10 GGCERN C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000186051097 565237431 /nfs/dbraw/zinc/23/74/31/565237431.db2.gz LSJFAGHEYBWCNE-WCQYABFASA-N 0 0 395.276 3.403 10 10 GGCERN COC(=O)c1cnc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)s1 ZINC000295152114 565248455 /nfs/dbraw/zinc/24/84/55/565248455.db2.gz FJWQHSMIHXRXGD-MNOVXSKESA-N 0 0 380.491 3.296 10 10 GGCERN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Br)cc1O ZINC000186262686 565250484 /nfs/dbraw/zinc/25/04/84/565250484.db2.gz DYGONXAUNIYUMW-LBPRGKRZSA-N 0 0 390.281 3.264 10 10 GGCERN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000273447737 565321214 /nfs/dbraw/zinc/32/12/14/565321214.db2.gz FJPZSFYJXMNYFP-BDJLRTHQSA-N 0 0 394.265 3.326 10 10 GGCERN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000273447741 565321272 /nfs/dbraw/zinc/32/12/72/565321272.db2.gz FJPZSFYJXMNYFP-MEDUHNTESA-N 0 0 394.265 3.326 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188681557 565417197 /nfs/dbraw/zinc/41/71/97/565417197.db2.gz WZZOXHKUBRVIBB-FMKPAKJESA-N 0 0 383.286 3.254 10 10 GGCERN CO[C@H](C)[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000276087678 565434872 /nfs/dbraw/zinc/43/48/72/565434872.db2.gz JMQPHPASYATAPV-BKATZTBISA-N 0 0 398.575 3.269 10 10 GGCERN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000277506396 565501946 /nfs/dbraw/zinc/50/19/46/565501946.db2.gz OIITXQFUEYPAED-PRHODGIISA-N 0 0 379.092 3.432 10 10 GGCERN Cc1noc([C@@H](C)N2CCN(Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000180100753 566032479 /nfs/dbraw/zinc/03/24/79/566032479.db2.gz HJKZVSBKSSIODI-GFCCVEGCSA-N 0 0 395.301 3.033 10 10 GGCERN Oc1ccc(Br)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180721270 566083938 /nfs/dbraw/zinc/08/39/38/566083938.db2.gz SFBIQTOAIQQBLB-GDBMZVCRSA-N 0 0 382.254 3.072 10 10 GGCERN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000367703061 566212266 /nfs/dbraw/zinc/21/22/66/566212266.db2.gz MUIWIIFXBVMGBW-UHFFFAOYSA-N 0 0 387.292 3.401 10 10 GGCERN Cc1nccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1Br ZINC000525848207 567269274 /nfs/dbraw/zinc/26/92/74/567269274.db2.gz HGSNAHRVJQQNKC-UHFFFAOYSA-N 0 0 391.269 3.071 10 10 GGCERN CN(C)c1ccc2c(c1)OCCN2C(=O)C(=O)c1ccc(Br)cc1 ZINC000437021875 567475021 /nfs/dbraw/zinc/47/50/21/567475021.db2.gz SVHSFHWIJBUDEZ-UHFFFAOYSA-N 0 0 389.249 3.123 10 10 GGCERN O=C(c1ccco1)N(C[C@H]1CN(Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691992 570296590 /nfs/dbraw/zinc/29/65/90/570296590.db2.gz KMMHIYOMQWPDBA-LJQANCHMSA-N 0 0 384.476 3.271 10 10 GGCERN CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000022921837 570335853 /nfs/dbraw/zinc/33/58/53/570335853.db2.gz VJYLCONKZIUKLL-UHFFFAOYSA-N 0 0 393.487 3.082 10 10 GGCERN COc1ccc(N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 ZINC000035388270 570347991 /nfs/dbraw/zinc/34/79/91/570347991.db2.gz BNSCOMBYGCWAQL-JOCHJYFZSA-N 0 0 379.504 3.181 10 10 GGCERN COc1ccccc1-n1cccc1/C=C1/C(=N)N2C(SC)=NSC2=NC1=O ZINC000004909273 570362173 /nfs/dbraw/zinc/36/21/73/570362173.db2.gz OQMXQEQFRAVMGB-FYEDGOFPSA-N 0 0 397.485 3.426 10 10 GGCERN CO[C@H]1C=C[C@](CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)(OC)O1 ZINC000004930793 570372700 /nfs/dbraw/zinc/37/27/00/570372700.db2.gz NEADSKJHMHAFGD-UZLBHIALSA-N 0 0 399.472 3.003 10 10 GGCERN COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)o2)cc1 ZINC000005013472 570395915 /nfs/dbraw/zinc/39/59/15/570395915.db2.gz ACJUSPDPEHTBST-AHSZANDNSA-N 0 0 377.356 3.184 10 10 GGCERN CC1=CC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N2O1 ZINC000005013800 570396015 /nfs/dbraw/zinc/39/60/15/570396015.db2.gz XDHXKNGRRSQFPP-IUUVDYQKSA-N 0 0 379.397 3.418 10 10 GGCERN CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccccc3C)C(=N)N2O1 ZINC000005013901 570396291 /nfs/dbraw/zinc/39/62/91/570396291.db2.gz WZIBIITYIIVRJQ-RPAYCJQNSA-N 0 0 376.416 3.326 10 10 GGCERN COc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000005129388 570422379 /nfs/dbraw/zinc/42/23/79/570422379.db2.gz NNDZHWUBLMXNCT-LJQANCHMSA-N 0 0 380.448 3.028 10 10 GGCERN Cc1cc(C(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccccc1F ZINC000043506696 570423956 /nfs/dbraw/zinc/42/39/56/570423956.db2.gz WIVLRYHYRNGGFC-UHFFFAOYSA-N 0 0 383.467 3.364 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc1C ZINC000005394422 570437250 /nfs/dbraw/zinc/43/72/50/570437250.db2.gz JBNSPOAEDLTUGT-AEJDSFAJSA-N 0 0 385.464 3.187 10 10 GGCERN COc1ncccc1CNC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000030304096 570487885 /nfs/dbraw/zinc/48/78/85/570487885.db2.gz ZLAYOCNJLWHDOH-UHFFFAOYSA-N 0 0 393.443 3.199 10 10 GGCERN Cc1ccc([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1 ZINC000035960333 570488815 /nfs/dbraw/zinc/48/88/15/570488815.db2.gz JSGQFPJCWPMSNF-NRFANRHFSA-N 0 0 392.503 3.270 10 10 GGCERN CCN(CC)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 ZINC000031792522 570506423 /nfs/dbraw/zinc/50/64/23/570506423.db2.gz WJLSUMKZPXUAKY-JOCHJYFZSA-N 0 0 384.476 3.389 10 10 GGCERN Cc1nn(C)cc1NC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000369878482 570512896 /nfs/dbraw/zinc/51/28/96/570512896.db2.gz RLHNFBPSFIVNRN-CYBMUJFWSA-N 0 0 397.401 3.275 10 10 GGCERN CCOC(=O)c1cc2ccsc2n1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000064659418 570513089 /nfs/dbraw/zinc/51/30/89/570513089.db2.gz IBWYFXOBCFOGOO-UHFFFAOYSA-N 0 0 385.489 3.262 10 10 GGCERN CCc1nc2oc(C)c(C)c2c(OCC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000032996916 570517441 /nfs/dbraw/zinc/51/74/41/570517441.db2.gz QYNQYTJMMAAWMP-UHFFFAOYSA-N 0 0 382.464 3.163 10 10 GGCERN Cc1cc(C(=O)CN2CCN(Cc3ccon3)CC2)c(C)n1-c1cccc(C)c1 ZINC000072305205 570517475 /nfs/dbraw/zinc/51/74/75/570517475.db2.gz ZJGFNZVIYWUZEA-UHFFFAOYSA-N 0 0 392.503 3.391 10 10 GGCERN CC(=O)N1CCN([C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000034872559 570546064 /nfs/dbraw/zinc/54/60/64/570546064.db2.gz BNMZBHYHQLVSGG-MRXNPFEDSA-N 0 0 387.911 3.483 10 10 GGCERN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)cccc1-n1nnc2cccnc21 ZINC000064925833 570594639 /nfs/dbraw/zinc/59/46/39/570594639.db2.gz UETUKAKAUGUFRZ-UHFFFAOYSA-N 0 0 386.459 3.120 10 10 GGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000229434506 570664495 /nfs/dbraw/zinc/66/44/95/570664495.db2.gz DLFYMRZIBBFWMR-OKZBNKHCSA-N 0 0 384.476 3.275 10 10 GGCERN Cc1ccc(Cn2cccc2C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000065084437 570689575 /nfs/dbraw/zinc/68/95/75/570689575.db2.gz QZKBBXVBWWNFQS-UHFFFAOYSA-N 0 0 375.472 3.410 10 10 GGCERN CCOc1cccc(CN(C)Cc2nnc(SCc3ccncc3)n2C)c1O ZINC000055568652 570697306 /nfs/dbraw/zinc/69/73/06/570697306.db2.gz KVIVNEALOMIIFL-UHFFFAOYSA-N 0 0 399.520 3.239 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000058157675 570711751 /nfs/dbraw/zinc/71/17/51/570711751.db2.gz NFPFFCMQZSSWAL-OAQYLSRUSA-N 0 0 397.500 3.013 10 10 GGCERN Cc1ccc(CNC(=O)C2=C3CCCN3c3ccc(F)cc3S2(=O)=O)cc1 ZINC000065239718 570744479 /nfs/dbraw/zinc/74/44/79/570744479.db2.gz WTWLZZKLEXFPIM-UHFFFAOYSA-N 0 0 386.448 3.050 10 10 GGCERN CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112769 570792231 /nfs/dbraw/zinc/79/22/31/570792231.db2.gz GZJGMEQUNYFMHR-OAQYLSRUSA-N 0 0 377.444 3.475 10 10 GGCERN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1 ZINC000005903636 570803227 /nfs/dbraw/zinc/80/32/27/570803227.db2.gz JJATXYLDXPQFQQ-UHFFFAOYSA-N 0 0 391.423 3.068 10 10 GGCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1 ZINC000033071902 570803826 /nfs/dbraw/zinc/80/38/26/570803826.db2.gz FXLMXOXYLNSVQK-QGZVFWFLSA-N 0 0 377.492 3.162 10 10 GGCERN Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000004507770 570823950 /nfs/dbraw/zinc/82/39/50/570823950.db2.gz GQOONIJYUDLXAQ-UHFFFAOYSA-N 0 0 388.474 3.232 10 10 GGCERN Cc1[nH]c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2[nH+]1 ZINC000101536409 570826473 /nfs/dbraw/zinc/82/64/73/570826473.db2.gz DTXDJKLZPQPXLV-NTEUORMPSA-N 0 0 395.806 3.104 10 10 GGCERN Cc1noc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 ZINC000065547625 570832845 /nfs/dbraw/zinc/83/28/45/570832845.db2.gz MSKHORWAEREJCS-GFCCVEGCSA-N 0 0 382.420 3.048 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2C)cc1 ZINC000102373785 570847610 /nfs/dbraw/zinc/84/76/10/570847610.db2.gz UFNRULWFTDSZAI-KDURUIRLSA-N 0 0 392.455 3.237 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)cc1 ZINC000102373784 570847759 /nfs/dbraw/zinc/84/77/59/570847759.db2.gz UFNRULWFTDSZAI-OALUTQOASA-N 0 0 392.455 3.237 10 10 GGCERN COc1ccc(N2CCN(C(=O)CN3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000007492795 570855117 /nfs/dbraw/zinc/85/51/17/570855117.db2.gz CPRBKUPDPVREBW-UHFFFAOYSA-N 0 0 391.515 3.133 10 10 GGCERN CN1CCc2cc(CNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccc21 ZINC000170599180 570857295 /nfs/dbraw/zinc/85/72/95/570857295.db2.gz IKCUPPXBYJVJQB-GHTZIAJQSA-N 0 0 397.906 3.168 10 10 GGCERN CN1CCc2cc(CNC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccc(Cl)c3)ccc21 ZINC000170599179 570857357 /nfs/dbraw/zinc/85/73/57/570857357.db2.gz IKCUPPXBYJVJQB-WIYYLYMNSA-N 0 0 397.906 3.168 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 ZINC000104914999 570908057 /nfs/dbraw/zinc/90/80/57/570908057.db2.gz IUIAWRXJWWCSTD-GGAORHGYSA-N 0 0 391.515 3.089 10 10 GGCERN Cc1cc(C)nc(NN2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)n1 ZINC000033294571 570961560 /nfs/dbraw/zinc/96/15/60/570961560.db2.gz RHKQJQFNACORCP-XNTDXEJSSA-N 0 0 385.518 3.388 10 10 GGCERN Cc1noc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000084022884 570990970 /nfs/dbraw/zinc/99/09/70/570990970.db2.gz DILIYKHFLDECEL-ZDUSSCGKSA-N 0 0 383.370 3.446 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000053267735 1406348939 /nfs/dbraw/zinc/34/89/39/1406348939.db2.gz DDAQYQFEJLXPAX-UHFFFAOYSA-N 0 0 387.461 3.288 10 10 GGCERN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000055370069 1406941607 /nfs/dbraw/zinc/94/16/07/1406941607.db2.gz DQNBLFRHYATERR-LFYBBSHMSA-N 0 0 379.460 3.016 10 10 GGCERN CN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)C(=O)N(c2ccccc2)C1=S ZINC000001133478 1398301549 /nfs/dbraw/zinc/30/15/49/1398301549.db2.gz RFAWLGAXJDASET-PDGQHHTCSA-N 0 0 388.452 3.046 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)COc3ccccc3C(N)=O)c2C)cc1 ZINC000003357986 1398337069 /nfs/dbraw/zinc/33/70/69/1398337069.db2.gz UHUQJKNSSZKJSU-UHFFFAOYSA-N 0 0 378.428 3.463 10 10 GGCERN Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000003477142 1398353366 /nfs/dbraw/zinc/35/33/66/1398353366.db2.gz ZSKKTOUJVFKILH-UHFFFAOYSA-N 0 0 376.391 3.221 10 10 GGCERN Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000008344063 1398824718 /nfs/dbraw/zinc/82/47/18/1398824718.db2.gz GUTMMLLAMIIZRZ-UHFFFAOYSA-N 0 0 397.460 3.119 10 10 GGCERN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000009118109 1398854197 /nfs/dbraw/zinc/85/41/97/1398854197.db2.gz AGENZQQSWQZNMN-KPKJPENVSA-N 0 0 381.520 3.161 10 10 GGCERN COc1cc(C)ccc1OCCSc1nc(-c2ccco2)nc2cc(=O)[nH]n21 ZINC000009641399 1398861772 /nfs/dbraw/zinc/86/17/72/1398861772.db2.gz DQMOAJSHQKCQGG-UHFFFAOYSA-N 0 0 398.444 3.166 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(C)n1-c1ccccn1 ZINC000009683447 1398863507 /nfs/dbraw/zinc/86/35/07/1398863507.db2.gz FXZBVLVORIOGCS-UHFFFAOYSA-N 0 0 394.475 3.317 10 10 GGCERN CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000027520548 1400050584 /nfs/dbraw/zinc/05/05/84/1400050584.db2.gz WMORWMOFCGDPIB-WJDWOHSUSA-N 0 0 397.387 3.392 10 10 GGCERN COC(=O)N(C)c1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000056790063 1407434247 /nfs/dbraw/zinc/43/42/47/1407434247.db2.gz HZLUUYQHIRMWLI-UHFFFAOYSA-N 0 0 398.463 3.252 10 10 GGCERN CNC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000063260204 1408325506 /nfs/dbraw/zinc/32/55/06/1408325506.db2.gz HRMANSUWWIQJHF-UHFFFAOYSA-N 0 0 383.492 3.137 10 10 GGCERN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067560727 1409162571 /nfs/dbraw/zinc/16/25/71/1409162571.db2.gz DTCXCQZFLQYVAG-FGZHOGPDSA-N 0 0 397.494 3.390 10 10 GGCERN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cccc2ccccc21 ZINC000176658759 1428394317 /nfs/dbraw/zinc/39/43/17/1428394317.db2.gz VNAYCJUCDQYJMZ-UHFFFAOYSA-N 0 0 396.512 3.497 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4F)c3)CC2)cc1 ZINC000176695418 1428414552 /nfs/dbraw/zinc/41/45/52/1428414552.db2.gz ICIXQAIKCAWYLB-UHFFFAOYSA-N 0 0 395.438 3.374 10 10 GGCERN O=C(C1CCCCC1)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000092539359 1410171458 /nfs/dbraw/zinc/17/14/58/1410171458.db2.gz POPHPCJWSQRMGO-UHFFFAOYSA-N 0 0 381.314 3.379 10 10 GGCERN O=C1N=C(NC2CCCCC2)SC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000095351127 1410310138 /nfs/dbraw/zinc/31/01/38/1410310138.db2.gz WQSTWEBAANQXBC-VIZOYTHASA-N 0 0 375.406 3.216 10 10 GGCERN COC(=O)/C=C\c1ccc(N2CCC[C@H](c3nncn3C(C)C)C2)c([N+](=O)[O-])c1 ZINC000098052753 1410403899 /nfs/dbraw/zinc/40/38/99/1410403899.db2.gz PRCQOGYRWGEFBQ-GQSKFBFOSA-N 0 0 399.451 3.337 10 10 GGCERN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000115894785 1412812226 /nfs/dbraw/zinc/81/22/26/1412812226.db2.gz ICMVHXZMVHTRQE-UHFFFAOYSA-N 0 0 394.519 3.306 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000115998221 1412820875 /nfs/dbraw/zinc/82/08/75/1412820875.db2.gz GDTCDXLATWMPIT-CABCVRRESA-N 0 0 390.405 3.360 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)ccc3Cl)CC2)cc1 ZINC000130368094 1416366207 /nfs/dbraw/zinc/36/62/07/1416366207.db2.gz HOYHWGFZKRIRRI-UHFFFAOYSA-N 0 0 387.867 3.269 10 10 GGCERN Cc1cc(C(=O)N2CCCN(Cc3cscn3)CC2)c(C)n1-c1ccccn1 ZINC000171021429 1425441344 /nfs/dbraw/zinc/44/13/44/1425441344.db2.gz CLEMOLUIYKZCIV-UHFFFAOYSA-N 0 0 395.532 3.294 10 10 GGCERN CC(C)c1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000172991089 1426298474 /nfs/dbraw/zinc/29/84/74/1426298474.db2.gz HLWHIMRADMADER-UHFFFAOYSA-N 0 0 388.533 3.467 10 10 GGCERN COc1ccc(N2CCCN(C(=O)Nc3ccc4c(c3)N(C)CCO4)CC2)cc1 ZINC000175082300 1427536974 /nfs/dbraw/zinc/53/69/74/1427536974.db2.gz DHWQLVLRXHUQFM-UHFFFAOYSA-N 0 0 396.491 3.268 10 10 GGCERN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000181120854 1430217568 /nfs/dbraw/zinc/21/75/68/1430217568.db2.gz AGQRKNHWTXRQAZ-HZPDHXFCSA-N 0 0 383.492 3.226 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc(-c4nc(C)no4)cc3)CC2)cc1 ZINC000247994330 1433761889 /nfs/dbraw/zinc/76/18/89/1433761889.db2.gz CBZNKDJMMZRRQS-UHFFFAOYSA-N 0 0 378.432 3.016 10 10 GGCERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249121071 1433836214 /nfs/dbraw/zinc/83/62/14/1433836214.db2.gz WRBZRSPQLVLQPB-UWJYYQICSA-N 0 0 392.565 3.300 10 10 GGCERN Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000254746440 1433871877 /nfs/dbraw/zinc/87/18/77/1433871877.db2.gz DYGLYJSNAZJJCB-UHFFFAOYSA-N 0 0 389.368 3.018 10 10 GGCERN CN1CCOc2ccc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21 ZINC000266941124 1434390999 /nfs/dbraw/zinc/39/09/99/1434390999.db2.gz HYIGKNLEZHXZLR-SFHVURJKSA-N 0 0 397.475 3.434 10 10 GGCERN C[C@H]1CN(c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267913397 1434476325 /nfs/dbraw/zinc/47/63/25/1434476325.db2.gz GBDLRVZNTQMSIM-GJZGRUSLSA-N 0 0 385.464 3.076 10 10 GGCERN O=C(NCc1ccc(N2CCOC2=O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000272909662 1434940422 /nfs/dbraw/zinc/94/04/22/1434940422.db2.gz DGIKIOFPYIOBHW-UHFFFAOYSA-N 0 0 395.459 3.227 10 10 GGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000282396165 1435845761 /nfs/dbraw/zinc/84/57/61/1435845761.db2.gz DILSZKUYLYXYTG-ZUJPCKDCSA-N 0 0 396.462 3.010 10 10 GGCERN O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)c1cnccn1 ZINC000283851498 1435936765 /nfs/dbraw/zinc/93/67/65/1435936765.db2.gz HHWSVTNOHHTASN-INIZCTEOSA-N 0 0 380.473 3.494 10 10 GGCERN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1F ZINC000864506322 1126113062 /nfs/dbraw/zinc/11/30/62/1126113062.db2.gz MRDFNWUMBQAGQJ-GOSISDBHSA-N 0 0 391.393 3.437 10 10 GGCERN CO[C@@H]1C=C[C@](CNC(=O)c2sc3nc(-c4ccccc4)cn3c2C)(OC)O1 ZINC000004930799 220794642 /nfs/dbraw/zinc/79/46/42/220794642.db2.gz NEADSKJHMHAFGD-JXFKEZNVSA-N 0 0 399.472 3.003 10 10 GGCERN COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000005129390 220832497 /nfs/dbraw/zinc/83/24/97/220832497.db2.gz FPXUSCPYKAGNDV-IBGZPJMESA-N 0 0 396.516 3.193 10 10 GGCERN COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000005482520 220873955 /nfs/dbraw/zinc/87/39/55/220873955.db2.gz PYIVAQIHFMFTAY-LJQANCHMSA-N 0 0 396.516 3.193 10 10 GGCERN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=N)S1 ZINC000006203042 220923676 /nfs/dbraw/zinc/92/36/76/220923676.db2.gz XHMVZUHCNHDOOD-XQVAPKGHSA-N 0 0 393.266 3.487 10 10 GGCERN O=C(CCCOc1ccccc1)NC1=N[C@@H](c2ccc(Cl)cc2)CC(=O)N1 ZINC000006869174 220972959 /nfs/dbraw/zinc/97/29/59/220972959.db2.gz NNFFEVITYCGUOV-QGZVFWFLSA-N 0 0 385.851 3.232 10 10 GGCERN COc1cccc(C(=O)NN2C(=O)/C(=C\c3cc(C)[nH]c3C)SC2=S)c1 ZINC000007978675 221017622 /nfs/dbraw/zinc/01/76/22/221017622.db2.gz DVFIJBZSRWLJKB-OQLLNIDSSA-N 0 0 387.486 3.186 10 10 GGCERN COc1ccc(-n2c(C)cc(C(=O)Cn3nc4n(c3=O)CCCCC4)c2C)cc1 ZINC000009417860 221079979 /nfs/dbraw/zinc/07/99/79/221079979.db2.gz VHDLVYPUQRUKFK-UHFFFAOYSA-N 0 0 394.475 3.070 10 10 GGCERN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCCc2c(C(=O)NC(C)C)cccc21 ZINC000011076934 221109921 /nfs/dbraw/zinc/10/99/21/221109921.db2.gz AGESINDNLMLPJT-VAWYXSNFSA-N 0 0 380.492 3.168 10 10 GGCERN Cc1ccc2oc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc(=O)c2c1 ZINC000010907378 221108085 /nfs/dbraw/zinc/10/80/85/221108085.db2.gz FTCDQXXEHYGSNH-UHFFFAOYSA-N 0 0 392.455 3.210 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1-c1ccccn1 ZINC000009610157 221087883 /nfs/dbraw/zinc/08/78/83/221087883.db2.gz VYDDADNSZQBWNX-UHFFFAOYSA-N 0 0 394.475 3.173 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1 ZINC000009728315 221091263 /nfs/dbraw/zinc/09/12/63/221091263.db2.gz RUZKRFABCUOSDR-UHFFFAOYSA-N 0 0 388.471 3.146 10 10 GGCERN CCn1cc2c3c1cccc3[C@H]1C[C@@H](NC(=O)n3nc(C)cc3C)CN(C)[C@@H]1C2 ZINC000011726225 221123672 /nfs/dbraw/zinc/12/36/72/221123672.db2.gz ZSJNNQSQILSGMP-YFVAEKQCSA-N 0 0 391.519 3.445 10 10 in-man GGCERN Cc1c(S(=O)(=O)c2cccc(C(F)(F)F)c2)nnn1-c1ccc(N)cc1 ZINC000011730790 221122838 /nfs/dbraw/zinc/12/28/38/221122838.db2.gz PATRDCQUFIUNHS-UHFFFAOYSA-N 0 0 382.367 3.010 10 10 GGCERN COCCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S ZINC000012778327 221230398 /nfs/dbraw/zinc/23/03/98/221230398.db2.gz WYDNJBPJEVSTFT-YRNVUSSQSA-N 0 0 376.272 3.436 10 10 GGCERN Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000013113342 221261703 /nfs/dbraw/zinc/26/17/03/221261703.db2.gz WLMCCWUYPAXSNJ-UHFFFAOYSA-N 0 0 382.489 3.351 10 10 GGCERN COc1cc(/C=C2/C(C)=NN(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O ZINC000013914978 221293088 /nfs/dbraw/zinc/29/30/88/221293088.db2.gz IISXCDAWBYBLQE-SXGWCWSVSA-N 0 0 399.834 3.019 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(C)=O)CC2)cc1 ZINC000015727956 221341105 /nfs/dbraw/zinc/34/11/05/221341105.db2.gz ZJQIYTVTZJENIW-UHFFFAOYSA-N 0 0 393.443 3.362 10 10 GGCERN COC(=O)C1=CN(c2cc(Cl)ccc2OC)c2cc(F)ccc2S1(=O)=O ZINC000064979215 136158445 /nfs/dbraw/zinc/15/84/45/136158445.db2.gz XXOVQTUERACQBO-UHFFFAOYSA-N 0 0 397.811 3.428 10 10 GGCERN COC(=O)C1=CN(c2ccc(OC)c(Cl)c2)c2ccccc2S1(=O)=O ZINC000064979168 136158493 /nfs/dbraw/zinc/15/84/93/136158493.db2.gz WZUZOEAELDJIMK-UHFFFAOYSA-N 0 0 379.821 3.288 10 10 GGCERN COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(OCC(N)=O)c3)c2C)c1 ZINC000024434551 221613463 /nfs/dbraw/zinc/61/34/63/221613463.db2.gz TVBCJSFIOOCKAL-UHFFFAOYSA-N 0 0 393.443 3.219 10 10 GGCERN CCN1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)NC1=S ZINC000033922925 221796696 /nfs/dbraw/zinc/79/66/96/221796696.db2.gz GLCLOBFGCUYLJI-WZUFQYTHSA-N 0 0 378.251 3.417 10 10 GGCERN CCOC(=O)N1CCC(NC(=O)c2cc(C)n(-c3cccc(OC)c3)c2C)CC1 ZINC000036393591 221857569 /nfs/dbraw/zinc/85/75/69/221857569.db2.gz ARSVIELXJBHKKD-UHFFFAOYSA-N 0 0 399.491 3.453 10 10 GGCERN Cc1ccc(C)n1-c1ccc(C(=O)O[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048314813 221986278 /nfs/dbraw/zinc/98/62/78/221986278.db2.gz DLFYMRZIBBFWMR-KSZLIROESA-N 0 0 384.476 3.275 10 10 GGCERN Cc1ccccc1CNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239747 222115397 /nfs/dbraw/zinc/11/53/97/222115397.db2.gz XYHMPMQUWWFZLX-UHFFFAOYSA-N 0 0 386.448 3.050 10 10 GGCERN Cc1noc([C@H](C)NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 ZINC000065547621 222133822 /nfs/dbraw/zinc/13/38/22/222133822.db2.gz MSKHORWAEREJCS-LBPRGKRZSA-N 0 0 382.420 3.048 10 10 GGCERN Cc1cc(/C=C\C(=O)N(C)CC(=O)NCc2ccco2)c(C)n1-c1ccccc1 ZINC000096861024 222426659 /nfs/dbraw/zinc/42/66/59/222426659.db2.gz KVIZJAVFLIWNOR-QXMHVHEDSA-N 0 0 391.471 3.475 10 10 GGCERN CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1Cl ZINC000097004646 222434488 /nfs/dbraw/zinc/43/44/88/222434488.db2.gz DLZLEARXCXYXFO-KTKRTIGZSA-N 0 0 386.882 3.124 10 10 GGCERN COCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000101842626 222476945 /nfs/dbraw/zinc/47/69/45/222476945.db2.gz XRSHDVXBTPTUET-XMHGGMMESA-N 0 0 383.423 3.095 10 10 GGCERN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000002640390 528413431 /nfs/dbraw/zinc/41/34/31/528413431.db2.gz COKGTUKELYGCKF-OAHLLOKOSA-N 0 0 381.428 3.070 10 10 GGCERN CC(C)c1cc(C(=O)N2Cc3ccc(N4CCOCC4)cc3C2)c(O)cc1O ZINC000058581518 535359014 /nfs/dbraw/zinc/35/90/14/535359014.db2.gz LUCGOGCKXFESLJ-UHFFFAOYSA-N 0 0 382.460 3.214 10 10 GGCERN CCOc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)CO2 ZINC000040128918 535430525 /nfs/dbraw/zinc/43/05/25/535430525.db2.gz PVJHCXKKSBDZKP-UHFFFAOYSA-N 0 0 394.471 3.219 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3csc(-c4cccnc4)n3)CC2)cc1 ZINC000062634824 536691729 /nfs/dbraw/zinc/69/17/29/536691729.db2.gz QNNDOPXSLNPSIM-UHFFFAOYSA-N 0 0 380.473 3.176 10 10 GGCERN CC(C)CSC1=NSC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)C(=N)N12 ZINC000004825893 564207057 /nfs/dbraw/zinc/20/70/57/564207057.db2.gz HDUOIKUCSNPPDX-SPHOJFBGSA-N 0 0 376.463 3.064 10 10 GGCERN C[C@H]1SCCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)[C@H]1C ZINC000118289861 564238663 /nfs/dbraw/zinc/23/86/63/564238663.db2.gz UVFUNBJXSPWQTI-LSDHHAIUSA-N 0 0 378.563 3.367 10 10 GGCERN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000118289855 564238781 /nfs/dbraw/zinc/23/87/81/564238781.db2.gz UVFUNBJXSPWQTI-CABCVRRESA-N 0 0 378.563 3.367 10 10 GGCERN Cc1ccc(C(=O)NC2=N[C@@H](c3ccc(Br)cc3)CC(=O)N2)cc1 ZINC000020530700 564306328 /nfs/dbraw/zinc/30/63/28/564306328.db2.gz BZKHTBHHNHPBNK-OAHLLOKOSA-N 0 0 386.249 3.105 10 10 GGCERN Cc1cc(-c2csc(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)on1 ZINC000033290270 564413134 /nfs/dbraw/zinc/41/31/34/564413134.db2.gz HWQNTJGBFZNPTQ-UHFFFAOYSA-N 0 0 377.491 3.256 10 10 GGCERN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1C ZINC000055668486 564628181 /nfs/dbraw/zinc/62/81/81/564628181.db2.gz GFSSCSNEYAFNAQ-UHFFFAOYSA-N 0 0 388.536 3.236 10 10 GGCERN CCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3O)C2=N)S1 ZINC000096551526 564902172 /nfs/dbraw/zinc/90/21/72/564902172.db2.gz RPYFVQGSITXYCC-NJCCHOHYSA-N 0 0 379.239 3.184 10 10 GGCERN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000293504617 565171416 /nfs/dbraw/zinc/17/14/16/565171416.db2.gz ADQVOWDOQJGCPM-LLVKDONJSA-N 0 0 386.876 3.286 10 10 GGCERN COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185775380 565220463 /nfs/dbraw/zinc/22/04/63/565220463.db2.gz YAXINCWIAXGRQH-ZANVPECISA-N 0 0 399.264 3.217 10 10 GGCERN COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000185775399 565220670 /nfs/dbraw/zinc/22/06/70/565220670.db2.gz YAXINCWIAXGRQH-RNCFNFMXSA-N 0 0 399.264 3.217 10 10 GGCERN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271122648 565238983 /nfs/dbraw/zinc/23/89/83/565238983.db2.gz SMEJITZJAACXNC-UHFFFAOYSA-N 0 0 380.535 3.268 10 10 GGCERN O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1cccc(Br)c1O ZINC000296059647 565300142 /nfs/dbraw/zinc/30/01/42/565300142.db2.gz GDXOBUAHOQJIIQ-JTQLQIEISA-N 0 0 384.242 3.010 10 10 GGCERN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](c1nccs1)C(F)(F)F ZINC000296783190 565336794 /nfs/dbraw/zinc/33/67/94/565336794.db2.gz GLZDTXVMNMOMRT-UFBFGSQYSA-N 0 0 375.372 3.088 10 10 GGCERN CN(C)c1ccc(CNC(=O)N[C@H](c2nccs2)C(F)(F)F)cc1F ZINC000297007583 565350436 /nfs/dbraw/zinc/35/04/36/565350436.db2.gz PMCNEUCIJFUFMK-GFCCVEGCSA-N 0 0 376.379 3.451 10 10 GGCERN O=C1/C(=C/c2ccc(Cl)cc2F)SC(=S)N1CCN1CCOCC1 ZINC000187762361 565353667 /nfs/dbraw/zinc/35/36/67/565353667.db2.gz XXSGKGCDKWYWAV-ZROIWOOFSA-N 0 0 386.901 3.013 10 10 GGCERN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188681510 565417023 /nfs/dbraw/zinc/41/70/23/565417023.db2.gz WZZOXHKUBRVIBB-IIAWOOMASA-N 0 0 383.286 3.254 10 10 GGCERN O=C(NCc1cccc(Br)c1O)c1cnn(CCC(F)(F)F)c1 ZINC000277404731 565494503 /nfs/dbraw/zinc/49/45/03/565494503.db2.gz BQSZSYCKFKBCAT-UHFFFAOYSA-N 0 0 392.175 3.234 10 10 GGCERN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277475929 565500249 /nfs/dbraw/zinc/50/02/49/565500249.db2.gz WITGGIAJNFYVDK-INIZCTEOSA-N 0 0 376.250 3.170 10 10 GGCERN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277475938 565500329 /nfs/dbraw/zinc/50/03/29/565500329.db2.gz WITGGIAJNFYVDK-MRXNPFEDSA-N 0 0 376.250 3.170 10 10 GGCERN CN(Cc1ccc(Br)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301669422 565503670 /nfs/dbraw/zinc/50/36/70/565503670.db2.gz DSBWWALEPGYZFB-UHFFFAOYSA-N 0 0 392.209 3.325 10 10 GGCERN CN(Cc1ccc(Br)s1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301682231 565504560 /nfs/dbraw/zinc/50/45/60/565504560.db2.gz KDVJNKSQPCIQDV-UHFFFAOYSA-N 0 0 398.238 3.386 10 10 GGCERN CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000625027929 566268427 /nfs/dbraw/zinc/26/84/27/566268427.db2.gz SCWMCTOUUAIJHK-UHFFFAOYSA-N 0 0 376.469 3.353 10 10 GGCERN Cc1c(Br)cncc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000611657756 566932013 /nfs/dbraw/zinc/93/20/13/566932013.db2.gz NTBDQTYRLBBUNX-UHFFFAOYSA-N 0 0 376.254 3.258 10 10 GGCERN Oc1cc2c(cc1CN1CCc3ccc(F)c(Br)c3C1)[C@H](O)CO2 ZINC000527614864 567349579 /nfs/dbraw/zinc/34/95/79/567349579.db2.gz DTGQOHOOMRGTGS-MRXNPFEDSA-N 0 0 394.240 3.278 10 10 GGCERN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1 ZINC000527806086 567374695 /nfs/dbraw/zinc/37/46/95/567374695.db2.gz KYAFRYJZTYELRP-INIZCTEOSA-N 0 0 375.266 3.380 10 10 GGCERN Cc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)n1[C@@H]1CCOC1 ZINC000529389058 567511238 /nfs/dbraw/zinc/51/12/38/567511238.db2.gz QIJGLHCSZIQBDX-OAHLLOKOSA-N 0 0 393.281 3.464 10 10 GGCERN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(N2CCOCC2)cc1 ZINC000001044422 570237894 /nfs/dbraw/zinc/23/78/94/570237894.db2.gz JGLZAXBQNBTZOF-UWHSVAFCSA-N 0 0 389.499 3.160 10 10 GGCERN CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 ZINC000020356250 570253176 /nfs/dbraw/zinc/25/31/76/570253176.db2.gz XIVNFQYWBHBKHX-ZPFXCLEBSA-N 0 0 396.520 3.205 10 10 GGCERN COCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 ZINC000101834340 570285440 /nfs/dbraw/zinc/28/54/40/570285440.db2.gz DTXIAPCYVQZCBI-CAPFRKAQSA-N 0 0 379.460 3.346 10 10 GGCERN Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000021670542 570294209 /nfs/dbraw/zinc/29/42/09/570294209.db2.gz MCIBPGSIHNDNIK-HOTGVXAUSA-N 0 0 384.476 3.157 10 10 GGCERN COc1ccc(N2CCN(Cc3cccc(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000034684242 570301279 /nfs/dbraw/zinc/30/12/79/570301279.db2.gz QQLMEMUCFLSTHM-UHFFFAOYSA-N 0 0 379.504 3.253 10 10 GGCERN CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21 ZINC000023078272 570343047 /nfs/dbraw/zinc/34/30/47/570343047.db2.gz RJZJPUPSGQBVNX-ZHACJKMWSA-N 0 0 375.388 3.034 10 10 GGCERN CN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CC1 ZINC000035962130 570345375 /nfs/dbraw/zinc/34/53/75/570345375.db2.gz SKYISYGEOYCCSC-LJQANCHMSA-N 0 0 398.894 3.225 10 10 GGCERN COc1cc(OC)c(OC)cc1/C=C1/SC(N2CCC[C@@H](C)C2)=NC1=O ZINC000033563779 570376610 /nfs/dbraw/zinc/37/66/10/570376610.db2.gz OORGEFKJKYQRFI-UDPFGDFPSA-N 0 0 376.478 3.415 10 10 GGCERN CCOC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000035544388 570391917 /nfs/dbraw/zinc/39/19/17/570391917.db2.gz WCGJUCKQVCBASK-UHFFFAOYSA-N 0 0 387.455 3.190 10 10 GGCERN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)c(O)c1 ZINC000006351138 570397793 /nfs/dbraw/zinc/39/77/93/570397793.db2.gz XZGWGTAAVWYVST-LJQANCHMSA-N 0 0 397.431 3.066 10 10 GGCERN COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)N4CCCC4)[C@H]3C2)cc1 ZINC000248126051 570442217 /nfs/dbraw/zinc/44/22/17/570442217.db2.gz HTTYYJMZUFLXAN-FYYLOGMGSA-N 0 0 391.515 3.185 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1C ZINC000253495549 570483620 /nfs/dbraw/zinc/48/36/20/570483620.db2.gz JBNSPOAEDLTUGT-AHTJYVLASA-N 0 0 385.464 3.187 10 10 GGCERN Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1C ZINC000020394480 570489878 /nfs/dbraw/zinc/48/98/78/570489878.db2.gz JBNSPOAEDLTUGT-KNGBHITLSA-N 0 0 385.464 3.187 10 10 GGCERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 ZINC000072304338 570515106 /nfs/dbraw/zinc/51/51/06/570515106.db2.gz QGWTUOBZKOEHMO-LJQANCHMSA-N 0 0 382.485 3.390 10 10 GGCERN O=C(CSc1nc2ccccc2s1)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000008561620 570534512 /nfs/dbraw/zinc/53/45/12/570534512.db2.gz GROKGBQHUHRZQR-UHFFFAOYSA-N 0 0 382.470 3.255 10 10 GGCERN CC1=NN2C(=NC(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=N)S1 ZINC000032964054 570547353 /nfs/dbraw/zinc/54/73/53/570547353.db2.gz KOJLZPVSRBMOCT-CBMDOVLYSA-N 0 0 380.389 3.025 10 10 GGCERN Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)on1 ZINC000005279129 570548330 /nfs/dbraw/zinc/54/83/30/570548330.db2.gz YNKBNFQFKSIJSR-UHFFFAOYSA-N 0 0 382.372 3.159 10 10 GGCERN Cc1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(C)n1-c1ccccc1 ZINC000006831497 570634924 /nfs/dbraw/zinc/63/49/24/570634924.db2.gz QRRWWNRSOKEZLY-UHFFFAOYSA-N 0 0 383.448 3.019 10 10 GGCERN Cc1ccc(NC(=O)c2nnc(C(=O)NCc3ccc(N(C)C)cc3)s2)cc1 ZINC000033061100 570747895 /nfs/dbraw/zinc/74/78/95/570747895.db2.gz VNUQVEONZWLNAO-UHFFFAOYSA-N 0 0 395.488 3.095 10 10 GGCERN CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 ZINC000007113440 570790868 /nfs/dbraw/zinc/79/08/68/570790868.db2.gz VZVGYIGTCONSCW-QGZVFWFLSA-N 0 0 379.382 3.244 10 10 GGCERN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1cccc(OC)c1O ZINC000005864996 570799033 /nfs/dbraw/zinc/79/90/33/570799033.db2.gz JDACAXRPSCLJLQ-GZTJUZNOSA-N 0 0 395.411 3.287 10 10 GGCERN CCOC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000004669354 570813592 /nfs/dbraw/zinc/81/35/92/570813592.db2.gz VDPHIGMYFGVAGP-UHFFFAOYSA-N 0 0 385.420 3.107 10 10 GGCERN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nn1c(C)nc2ccccc2c1=O ZINC000103246718 570880055 /nfs/dbraw/zinc/88/00/55/570880055.db2.gz AQKZHWVIZRRYFI-GZTJUZNOSA-N 0 0 393.834 3.208 10 10 GGCERN CCN(CC)c1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1 ZINC000252515225 570983175 /nfs/dbraw/zinc/98/31/75/570983175.db2.gz HXDSACRPMXTHAP-UHFFFAOYSA-N 0 0 376.485 3.212 10 10 GGCERN Cc1noc(C)c1C(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000084022887 570990746 /nfs/dbraw/zinc/99/07/46/570990746.db2.gz DILIYKHFLDECEL-CYBMUJFWSA-N 0 0 383.370 3.446 10 10 GGCERN CCNc1nc2nnc(SCC(=O)c3ccccc3Cl)n2c(NCC)n1 ZINC000003220947 1398328505 /nfs/dbraw/zinc/32/85/05/1398328505.db2.gz SLEUGDZLTNYVMO-UHFFFAOYSA-N 0 0 391.888 3.011 10 10 GGCERN Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccccc1F ZINC000003303588 1398333333 /nfs/dbraw/zinc/33/33/33/1398333333.db2.gz UIFVDCHRXIUYTE-QGZVFWFLSA-N 0 0 385.439 3.382 10 10 GGCERN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 ZINC000004189207 1398382435 /nfs/dbraw/zinc/38/24/35/1398382435.db2.gz MWSTXGUFKKXGFQ-SFHVURJKSA-N 0 0 384.480 3.323 10 10 GGCERN CN(C)c1ccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1 ZINC000007367898 1398661064 /nfs/dbraw/zinc/66/10/64/1398661064.db2.gz YACWZSCWHRWWQN-RGEXLXHISA-N 0 0 375.428 3.224 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c(OC)c1 ZINC000008675182 1398843701 /nfs/dbraw/zinc/84/37/01/1398843701.db2.gz CXQMSFNICMWNAB-UHFFFAOYSA-N 0 0 377.391 3.336 10 10 GGCERN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCCCC1 ZINC000012914626 1399065083 /nfs/dbraw/zinc/06/50/83/1399065083.db2.gz KFLQLKLTHJAKCM-QINSGFPZSA-N 0 0 378.494 3.430 10 10 GGCERN COc1ccc(C2=NC3(CCN(C(C)=O)CC3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000015830323 1399196404 /nfs/dbraw/zinc/19/64/04/1399196404.db2.gz UDASNTSJPRSYNX-OAQYLSRUSA-N 0 0 393.487 3.263 10 10 GGCERN COc1cccc([C@H]2CC(c3cccs3)=NC3(CCN(C(C)=O)CC3)N2)c1O ZINC000015830396 1399196420 /nfs/dbraw/zinc/19/64/20/1399196420.db2.gz SOGSYCHCXWCHOD-MRXNPFEDSA-N 0 0 399.516 3.325 10 10 GGCERN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000020603930 1399350104 /nfs/dbraw/zinc/35/01/04/1399350104.db2.gz OQIZSDZUYLWNSD-HXUWFJFHSA-N 0 0 387.911 3.209 10 10 GGCERN Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 ZINC000020603854 1399350192 /nfs/dbraw/zinc/35/01/92/1399350192.db2.gz GXGFFMACMFOLGL-JOCHJYFZSA-N 0 0 381.520 3.173 10 10 GGCERN CCOC(=O)CCNC(=O)NCc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000020860305 1399354986 /nfs/dbraw/zinc/35/49/86/1399354986.db2.gz WPPWQPAEIBIVCS-UHFFFAOYSA-N 0 0 377.872 3.500 10 10 GGCERN Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCOCC3)cc1)CCCC2 ZINC000020927704 1399357427 /nfs/dbraw/zinc/35/74/27/1399357427.db2.gz XDUKVTJQZWKKLP-UHFFFAOYSA-N 0 0 381.520 3.117 10 10 GGCERN CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(OC)c1OC ZINC000027520832 1400050208 /nfs/dbraw/zinc/05/02/08/1400050208.db2.gz MBGRCESQTJOQAH-LGMDPLHJSA-N 0 0 394.427 3.443 10 10 GGCERN COc1ccc(N2CCN(C(=O)Nc3cc(NC(C)=O)ccc3C)CC2)cc1 ZINC000048280068 1405126049 /nfs/dbraw/zinc/12/60/49/1405126049.db2.gz DELZFDZNLGBPTE-UHFFFAOYSA-N 0 0 382.464 3.316 10 10 GGCERN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c(OC)c1 ZINC000049740497 1405403785 /nfs/dbraw/zinc/40/37/85/1405403785.db2.gz KCHVQHANAPJFAQ-UHFFFAOYSA-N 0 0 390.505 3.173 10 10 GGCERN COc1ccc(N2CCN(CCNC(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000056965708 1407490080 /nfs/dbraw/zinc/49/00/80/1407490080.db2.gz GVQVMIWBGMGAOC-UHFFFAOYSA-N 0 0 381.520 3.172 10 10 GGCERN COc1ccc(N2CCN(C(=O)Cc3csc(-c4cccnc4)n3)CC2)cc1 ZINC000057810070 1407723554 /nfs/dbraw/zinc/72/35/54/1407723554.db2.gz DDRKYJQGTMMDPR-UHFFFAOYSA-N 0 0 394.500 3.105 10 10 GGCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067561154 1409163433 /nfs/dbraw/zinc/16/34/33/1409163433.db2.gz AQIYCEQKSXOSSS-IEBWSBKVSA-N 0 0 387.430 3.157 10 10 GGCERN COc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cc1Br ZINC000070330255 1409745762 /nfs/dbraw/zinc/74/57/62/1409745762.db2.gz ZFYJANZGMHZRMH-UHFFFAOYSA-N 0 0 376.203 3.103 10 10 GGCERN CC(C)C(=O)N1CCc2ccccc2[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000096396590 1410330972 /nfs/dbraw/zinc/33/09/72/1410330972.db2.gz FRBROHJQYGSMSJ-NRFANRHFSA-N 0 0 379.504 3.151 10 10 GGCERN Cc1cc(/C=C\C(=O)N2CCN(C(=O)C3CC3)CC2)c(C)n1-c1ccc(C)cc1 ZINC000096851383 1410336689 /nfs/dbraw/zinc/33/66/89/1410336689.db2.gz BEZPOGNDRWVJLE-FLIBITNWSA-N 0 0 391.515 3.497 10 10 GGCERN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000103512652 1410865106 /nfs/dbraw/zinc/86/51/06/1410865106.db2.gz BXFBLDKXHNZACY-OAHLLOKOSA-N 0 0 380.448 3.206 10 10 GGCERN O=C(NCCCSc1nccs1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000114374621 1412421533 /nfs/dbraw/zinc/42/15/33/1412421533.db2.gz GQQUBEDOKFHONX-CABCVRRESA-N 0 0 381.567 3.170 10 10 GGCERN O=C(NCCCSc1nccs1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000114374627 1412421855 /nfs/dbraw/zinc/42/18/55/1412421855.db2.gz GQQUBEDOKFHONX-LSDHHAIUSA-N 0 0 381.567 3.170 10 10 GGCERN COc1ccc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000117568684 1413052780 /nfs/dbraw/zinc/05/27/80/1413052780.db2.gz GUYIUDABQKYDHH-UHFFFAOYSA-N 0 0 389.839 3.148 10 10 GGCERN CCOc1ccc(O)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000119418303 1413440957 /nfs/dbraw/zinc/44/09/57/1413440957.db2.gz GRIBQNPSFVCZHV-UHFFFAOYSA-N 0 0 397.519 3.164 10 10 GGCERN COc1cc(N(C)CC(=O)NC2(c3ccccc3)CCC2)cc(OC)c1OC ZINC000125703030 1415258176 /nfs/dbraw/zinc/25/81/76/1415258176.db2.gz GNDWEAHMMOPCBQ-UHFFFAOYSA-N 0 0 384.476 3.344 10 10 GGCERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000127103067 1415661453 /nfs/dbraw/zinc/66/14/53/1415661453.db2.gz BKTVITITHNAZRJ-GOSISDBHSA-N 0 0 379.464 3.097 10 10 GGCERN Nc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000171531793 1425720045 /nfs/dbraw/zinc/72/00/45/1425720045.db2.gz UBTDVVRXJXMKSX-UHFFFAOYSA-N 0 0 378.803 3.462 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)cc1 ZINC000186394026 1431399523 /nfs/dbraw/zinc/39/95/23/1431399523.db2.gz HMARSFBFBCZNQT-UHFFFAOYSA-N 0 0 392.434 3.254 10 10 GGCERN COc1ccc(N2CCN(CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000248093980 1433769307 /nfs/dbraw/zinc/76/93/07/1433769307.db2.gz GBNJQECFNIHGTE-QGZVFWFLSA-N 0 0 385.483 3.176 10 10 GGCERN Cc1cc2nc3sc(=Cc4ccc(N(C)C)c([N+](=O)[O-])c4)c(=O)n3c2cc1C ZINC000252670428 1433864203 /nfs/dbraw/zinc/86/42/03/1433864203.db2.gz KNWXMDPQHZKIQP-UHFFFAOYSA-N 0 0 394.456 3.048 10 10 GGCERN COc1ccc(N2CCN(C(=O)c3ccc(-c4nnc(C)o4)cc3)CC2)cc1 ZINC000266745358 1434370305 /nfs/dbraw/zinc/37/03/05/1434370305.db2.gz ASKYIYLCXGENNM-UHFFFAOYSA-N 0 0 378.432 3.016 10 10 GGCERN CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278629562 1435407559 /nfs/dbraw/zinc/40/75/59/1435407559.db2.gz GSHBPESZNSUVFS-UHFFFAOYSA-N 0 0 376.409 3.396 10 10 GGCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282396143 1435845677 /nfs/dbraw/zinc/84/56/77/1435845677.db2.gz DILSZKUYLYXYTG-GOQZIQLPSA-N 0 0 396.462 3.010 10 10 GGCERN