smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4cccs4)c4ccccc34)C(=O)[N-]C2=S)cc1C ZINC000000622465 551502951 /nfs/dbraw/zinc/50/29/51/551502951.db2.gz ZPAVGHWBDVQFDE-YDZHTSKRSA-N -1 0 528.659 4.467 50 10 KICARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000000637452 551506350 /nfs/dbraw/zinc/50/63/50/551506350.db2.gz ORFLCKBQYNPZCU-DJKKODMXSA-N -1 0 524.396 4.417 50 10 KICARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O ZINC000000653670 551513097 /nfs/dbraw/zinc/51/30/97/551513097.db2.gz RQZDRTVZZYZJCP-ONNFQVAWSA-N -1 0 502.173 4.301 50 10 KICARM CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000658741 551514583 /nfs/dbraw/zinc/51/45/83/551514583.db2.gz FDIBJYGNCBKAJR-DZZSIBQASA-N -1 0 554.381 4.448 50 10 KICARM CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000658744 551514655 /nfs/dbraw/zinc/51/46/55/551514655.db2.gz FDIBJYGNCBKAJR-PFSWGADMSA-N -1 0 554.381 4.448 50 10 KICARM COc1ccc(O)c([C@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccc(Br)o2)c1 ZINC000000668644 551518116 /nfs/dbraw/zinc/51/81/16/551518116.db2.gz GVQNKKJSNKXPRG-SFHVURJKSA-N -1 0 537.164 4.430 50 10 KICARM COc1ccc(O)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccc(Br)o2)c1 ZINC000000668646 551518149 /nfs/dbraw/zinc/51/81/49/551518149.db2.gz GVQNKKJSNKXPRG-GOSISDBHSA-N -1 0 537.164 4.430 50 10 KICARM CCOc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O ZINC000000669333 551518531 /nfs/dbraw/zinc/51/85/31/551518531.db2.gz DKBNRQQMONMAKD-WUXMJOGZSA-N -1 0 516.573 4.431 50 10 KICARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O ZINC000000669337 551518591 /nfs/dbraw/zinc/51/85/91/551518591.db2.gz KQUVPCYWWBSJFT-KPKJPENVSA-N -1 0 516.573 4.431 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)NCc1ccccc1 ZINC000000671114 551519150 /nfs/dbraw/zinc/51/91/50/551519150.db2.gz YXMYUMJLCLUPHZ-XKZIYDEJSA-N -1 0 533.968 4.100 50 10 KICARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000000693779 551527753 /nfs/dbraw/zinc/52/77/53/551527753.db2.gz QEPKYEHQVBQYAG-DHZHZOJOSA-N -1 0 531.215 4.017 50 10 KICARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000000852839 551549870 /nfs/dbraw/zinc/54/98/70/551549870.db2.gz YRPBJUJIYQKHIT-RIYZIHGNSA-N -1 0 509.223 4.109 50 10 KICARM CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000000852851 551549858 /nfs/dbraw/zinc/54/98/58/551549858.db2.gz QPNRQSQHSHHCSX-VGOFMYFVSA-N -1 0 587.233 4.292 50 10 KICARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O ZINC000000852853 551549784 /nfs/dbraw/zinc/54/97/84/551549784.db2.gz BZZQXEUJXNAGBS-LFYBBSHMSA-N -1 0 563.598 4.244 50 10 KICARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000000910348 551570545 /nfs/dbraw/zinc/57/05/45/551570545.db2.gz ZOKKOVKAINSRMZ-WUXMJOGZSA-N -1 0 516.971 4.141 50 10 KICARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1 ZINC000000977326 551591387 /nfs/dbraw/zinc/59/13/87/551591387.db2.gz DCNDBXFJHSOILO-RIYZIHGNSA-N -1 0 552.321 4.310 50 10 KICARM O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl ZINC000000996474 551594865 /nfs/dbraw/zinc/59/48/65/551594865.db2.gz VELYBJMVDULBAO-NDENLUEZSA-N -1 0 535.343 4.368 50 10 KICARM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000000997868 551595108 /nfs/dbraw/zinc/59/51/08/551595108.db2.gz PBGYHHIKHIRCDP-WQRHYEAKSA-N -1 0 502.287 4.436 50 10 KICARM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cc(I)c3O)C(=O)[N-]C2=S)cc1C ZINC000001092771 551607221 /nfs/dbraw/zinc/60/72/21/551607221.db2.gz MLADWLCXBCSSBJ-VGOFMYFVSA-N -1 0 557.207 4.207 50 10 KICARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000001170585 551620131 /nfs/dbraw/zinc/62/01/31/551620131.db2.gz GWJZEGRJIVYBJU-VCHYOVAHSA-N -1 0 509.272 4.211 50 10 KICARM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 ZINC000001185373 551621067 /nfs/dbraw/zinc/62/10/67/551621067.db2.gz XGBBBFMBNYGWAW-KGENOOAVSA-N -1 0 535.350 4.481 50 10 KICARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c([N+](=O)[O-])cc1OC ZINC000001203541 551623849 /nfs/dbraw/zinc/62/38/49/551623849.db2.gz GDXLRKUWQDZVPB-NTUHNPAUSA-N -1 0 506.334 4.355 50 10 KICARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000001204511 551624226 /nfs/dbraw/zinc/62/42/26/551624226.db2.gz PDZGMSGWKKUDPJ-BOPFTXTBSA-N -1 0 512.272 4.292 50 10 KICARM COC(=O)COc1cc(Br)c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000001214291 551626070 /nfs/dbraw/zinc/62/60/70/551626070.db2.gz PLQLSPFIDYLNIR-LZYBPNLTSA-N -1 0 517.332 4.133 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001273464 551635338 /nfs/dbraw/zinc/63/53/38/551635338.db2.gz YCTUEAJBEPAVGM-LPYMAVHISA-N -1 0 525.517 4.002 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000001295081 551637343 /nfs/dbraw/zinc/63/73/43/551637343.db2.gz UESXRTPKKXHHLM-LPYMAVHISA-N -1 0 541.585 4.480 50 10 KICARM CCOC(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)=C2[O-])cc1 ZINC000001440502 551672897 /nfs/dbraw/zinc/67/28/97/551672897.db2.gz FUHIUOJBVQGWJX-PBXDPIQXSA-N -1 0 500.985 4.050 50 10 KICARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2)nc(C)n1 ZINC000001770352 551696093 /nfs/dbraw/zinc/69/60/93/551696093.db2.gz BYEFPUXSXQNOAP-UHFFFAOYSA-N -1 0 514.563 4.212 50 10 KICARM O=C([O-])c1cc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)ccc1O ZINC000001792498 551701882 /nfs/dbraw/zinc/70/18/82/551701882.db2.gz RQYHENFZDHWVHO-SXGWCWSVSA-N -1 0 507.387 4.083 50 10 KICARM O=C1Sc2c3c1cccc3c(S(=O)(=O)Nc1ccc(O)cc1)cc2S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000001795682 551702645 /nfs/dbraw/zinc/70/26/45/551702645.db2.gz CLBCQYRZNKJNMZ-UHFFFAOYSA-N -1 0 528.589 4.099 50 10 KICARM O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S ZINC000001830180 551711188 /nfs/dbraw/zinc/71/11/88/551711188.db2.gz WFFWLSYVMGOWTN-ZCXUNETKSA-N -1 0 503.399 4.042 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000001835474 551712332 /nfs/dbraw/zinc/71/23/32/551712332.db2.gz IMDCCYCMKMXIMB-HYARGMPZSA-N -1 0 511.559 4.471 50 10 KICARM O=c1[nH]c2ccccc2nc1-c1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002024007 551736448 /nfs/dbraw/zinc/73/64/48/551736448.db2.gz WVUXENJZVVFLOR-UHFFFAOYSA-N -1 0 514.386 4.158 50 10 KICARM O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl ZINC000002071138 551747100 /nfs/dbraw/zinc/74/71/00/551747100.db2.gz ZOUNHZKYWFQBES-NDENLUEZSA-N -1 0 535.343 4.368 50 10 KICARM CCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000002086134 551756022 /nfs/dbraw/zinc/75/60/22/551756022.db2.gz RMHLKOKKEOHJFB-BOPFTXTBSA-N -1 0 503.349 4.312 50 10 KICARM COc1ccc2c3ccc(O[C@@H](C)C(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3oc(=O)c2c1 ZINC000002133546 551773263 /nfs/dbraw/zinc/77/32/63/551773263.db2.gz XNBXGCIVUNNXBI-OWJWWREXSA-N -1 0 530.533 4.030 50 10 biogenic KICARM COc1ccc2c3ccc(O[C@H](C)C(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3oc(=O)c2c1 ZINC000002133547 551773292 /nfs/dbraw/zinc/77/32/92/551773292.db2.gz XNBXGCIVUNNXBI-MYYSRTQBSA-N -1 0 530.533 4.030 50 10 biogenic KICARM COc1ccc2c3ccc(O[C@@H](C)C(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3oc(=O)c2c1 ZINC000002133550 551773264 /nfs/dbraw/zinc/77/32/64/551773264.db2.gz XNBXGCIVUNNXBI-IZHWHUGBSA-N -1 0 530.533 4.030 50 10 biogenic KICARM COc1ccc2c3ccc(O[C@H](C)C(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3oc(=O)c2c1 ZINC000002133552 551773259 /nfs/dbraw/zinc/77/32/59/551773259.db2.gz XNBXGCIVUNNXBI-OYLFLEFRSA-N -1 0 530.533 4.030 50 10 biogenic KICARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 ZINC000002143982 551775562 /nfs/dbraw/zinc/77/55/62/551775562.db2.gz FIWPCYWFRBHSDE-UFFVCSGVSA-N -1 0 506.492 4.357 50 10 KICARM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000002174776 551783085 /nfs/dbraw/zinc/78/30/85/551783085.db2.gz AXOCZHSFXYHHPJ-BUVRLJJBSA-N -1 0 514.651 4.348 50 10 KICARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 ZINC000002210634 552081280 /nfs/dbraw/zinc/08/12/80/552081280.db2.gz KBALPLIRWLOKDC-MOSHPQCFSA-N -1 0 510.930 4.370 50 10 KICARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000002211720 551794227 /nfs/dbraw/zinc/79/42/27/551794227.db2.gz DIXXQXURYHRFFL-STZFKDTASA-N -1 0 510.930 4.452 50 10 KICARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000002221110 551795986 /nfs/dbraw/zinc/79/59/86/551795986.db2.gz NGBPLXIEXQEMGU-HAHDFKILSA-N -1 0 504.539 4.415 50 10 KICARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cc(C)ccc1C ZINC000002240245 551799026 /nfs/dbraw/zinc/79/90/26/551799026.db2.gz JYSYKFDTEKMOCX-JCMHNJIXSA-N -1 0 504.539 4.415 50 10 KICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000002246675 551800056 /nfs/dbraw/zinc/80/00/56/551800056.db2.gz GZBVZNPBRVBKJR-BUVRLJJBSA-N -1 0 539.613 4.446 50 10 KICARM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc(OC)c1OC ZINC000002276280 552086598 /nfs/dbraw/zinc/08/65/98/552086598.db2.gz OLPTYBMXKOCIAR-LPYMAVHISA-N -1 0 511.534 4.382 50 10 KICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000002277173 551805597 /nfs/dbraw/zinc/80/55/97/551805597.db2.gz VEWDSCCFHHFZMY-UCQKPKSFSA-N -1 0 519.554 4.203 50 10 KICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000002277329 551805580 /nfs/dbraw/zinc/80/55/80/551805580.db2.gz KDKDSNJGRPWSPB-QRVIBDJDSA-N -1 0 519.554 4.203 50 10 KICARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)cc1 ZINC000002286286 552087551 /nfs/dbraw/zinc/08/75/51/552087551.db2.gz SCHXYAFIRWDUPT-PCLIKHOPSA-N -1 0 545.617 4.463 50 10 KICARM COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)[N-]C2=S)cc1 ZINC000002286615 552087578 /nfs/dbraw/zinc/08/75/78/552087578.db2.gz INTKOVBIRKRGRJ-HYARGMPZSA-N -1 0 527.558 4.172 50 10 KICARM O=C(Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000002298117 552089804 /nfs/dbraw/zinc/08/98/04/552089804.db2.gz UKGDDVQIKJTJKF-MOSHPQCFSA-N -1 0 516.529 4.390 50 10 KICARM CCOC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000002298189 552089842 /nfs/dbraw/zinc/08/98/42/552089842.db2.gz OHNYAZPKPWWAJZ-GDNBJRDFSA-N -1 0 502.379 4.343 50 10 KICARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCc3ccccc3C2)SC1=S ZINC000002345648 552098831 /nfs/dbraw/zinc/09/88/31/552098831.db2.gz RSFLQMLIWNFVFR-PGMHBOJBSA-N -1 0 534.663 4.103 50 10 KICARM O=C([O-])c1cc(NC(=O)CCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)ccc1O ZINC000002454629 552124683 /nfs/dbraw/zinc/12/46/83/552124683.db2.gz FDPTVQBQJFRKTO-SXGWCWSVSA-N -1 0 507.387 4.083 50 10 KICARM CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000002532931 552127845 /nfs/dbraw/zinc/12/78/45/552127845.db2.gz LBGGIESGOLRAPE-QNGOZBTKSA-N -1 0 529.665 4.417 50 10 KICARM O=c1oc2ccc(Br)cc2cc1-c1csc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000002616194 552136806 /nfs/dbraw/zinc/13/68/06/552136806.db2.gz IVKHJYLFJVJXGF-UHFFFAOYSA-N -1 0 521.370 4.251 50 10 KICARM CCOc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 ZINC000002740737 552171724 /nfs/dbraw/zinc/17/17/24/552171724.db2.gz ZSZNEHBDSBAXJL-JCMHNJIXSA-N -1 0 540.985 4.118 50 10 KICARM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 ZINC000002821424 552197198 /nfs/dbraw/zinc/19/71/98/552197198.db2.gz RSBLWYIQASPWRE-LPYMAVHISA-N -1 0 500.467 4.427 50 10 KICARM COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)CC2)cc1 ZINC000002885062 552209379 /nfs/dbraw/zinc/20/93/79/552209379.db2.gz UQSMERQWAIRGSI-UHFFFAOYSA-N -1 0 500.020 4.420 50 10 KICARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000002915723 552216692 /nfs/dbraw/zinc/21/66/92/552216692.db2.gz JUNHKXWZWRSOPJ-RISWYLRJSA-N -1 0 592.073 4.476 50 10 KICARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000002915726 552216728 /nfs/dbraw/zinc/21/67/28/552216728.db2.gz JUNHKXWZWRSOPJ-LMSRTUJASA-N -1 0 592.073 4.476 50 10 KICARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 ZINC000002916456 552217461 /nfs/dbraw/zinc/21/74/61/552217461.db2.gz OIVPQGGFIRBYKY-XCVCLJGOSA-N -1 0 500.157 4.316 50 10 KICARM COc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1OC ZINC000002921349 552220781 /nfs/dbraw/zinc/22/07/81/552220781.db2.gz XBNSOXTZDNXBOO-DEOSSOPVSA-N -1 0 549.536 4.411 50 10 KICARM 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COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000013775560 553489989 /nfs/dbraw/zinc/48/99/89/553489989.db2.gz DLKJRZKNJOOEBG-IWIPYMOSSA-N -1 0 523.545 4.486 50 10 KICARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 ZINC000013809921 553492098 /nfs/dbraw/zinc/49/20/98/553492098.db2.gz RVIHCYPBBOOAFP-ZHZULCJRSA-N -1 0 509.356 4.377 50 10 KICARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1 ZINC000013881075 553493954 /nfs/dbraw/zinc/49/39/54/553493954.db2.gz SYVRCXMNSMZPFZ-XQNSMLJCSA-N -1 0 517.563 4.030 50 10 KICARM COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)c(Br)c(Br)c1O ZINC000013914911 553495572 /nfs/dbraw/zinc/49/55/72/553495572.db2.gz XYTFISFUQOCNLV-QPEQYQDCSA-N -1 0 510.138 4.430 50 10 KICARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 ZINC000013941864 553496653 /nfs/dbraw/zinc/49/66/53/553496653.db2.gz JOLNVMLRWCYAJQ-XIEYBQDHSA-N -1 0 502.567 4.248 50 10 KICARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S ZINC000013943799 553497112 /nfs/dbraw/zinc/49/71/12/553497112.db2.gz FBGWFENTOJKARQ-YVLHZVERSA-N -1 0 510.515 4.399 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000015219888 553528887 /nfs/dbraw/zinc/52/88/87/553528887.db2.gz ZOSZYAQXZWMUNP-STZFKDTASA-N -1 0 503.536 4.404 50 10 KICARM Cc1ccc2nc(NCc3ccco3)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000015230300 553529889 /nfs/dbraw/zinc/52/98/89/553529889.db2.gz HLAOUQAQTYIYEI-PDGQHHTCSA-N -1 0 512.613 4.054 50 10 KICARM CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)NCCCC(=O)[O-])cc1 ZINC000015767497 553536085 /nfs/dbraw/zinc/53/60/85/553536085.db2.gz WSXIOUOCUMJBOS-LTGZKZEYSA-N -1 0 502.409 4.047 50 10 KICARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 ZINC000015985758 553549046 /nfs/dbraw/zinc/54/90/46/553549046.db2.gz FIHXOZCALBDGQK-FBHDLOMBSA-N -1 0 506.492 4.357 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O ZINC000016161651 553555716 /nfs/dbraw/zinc/55/57/16/553555716.db2.gz ZRCOGZDXPHRBTI-ZROIWOOFSA-N -1 0 510.182 4.340 50 10 KICARM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000016225982 553557006 /nfs/dbraw/zinc/55/70/06/553557006.db2.gz PJMQMLDZMNJDEA-HYARGMPZSA-N -1 0 500.467 4.427 50 10 KICARM Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000016226003 553557001 /nfs/dbraw/zinc/55/70/01/553557001.db2.gz MZQFDZLHWZNDRX-KGENOOAVSA-N -1 0 500.467 4.427 50 10 KICARM Cc1ccccc1NC(=O)CN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c2ccccc21 ZINC000016731962 553577279 /nfs/dbraw/zinc/57/72/79/553577279.db2.gz BRKKGGBWSHDEDH-FCQUAONHSA-N -1 0 523.636 4.197 50 10 KICARM O=C([O-])CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC1=S ZINC000016735719 553578826 /nfs/dbraw/zinc/57/88/26/553578826.db2.gz LQLWOGMKRYFJFA-STZFKDTASA-N -1 0 507.593 4.377 50 10 KICARM Cc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000016805226 553582893 /nfs/dbraw/zinc/58/28/93/553582893.db2.gz PNMDZCKFRHUQQS-FCQUAONHSA-N -1 0 523.636 4.197 50 10 KICARM COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c1C)CCCC2 ZINC000016994906 553586147 /nfs/dbraw/zinc/58/61/47/553586147.db2.gz AZSJQQJUVVTXOW-XDHOZWIPSA-N -1 0 507.568 4.280 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017014444 553586545 /nfs/dbraw/zinc/58/65/45/553586545.db2.gz NHJRWMDLLWCHDF-UCQKPKSFSA-N -1 0 523.545 4.287 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017028210 553586805 /nfs/dbraw/zinc/58/68/05/553586805.db2.gz MVYNCGYIGQPFFL-CPNJWEJPSA-N -1 0 515.522 4.302 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017028563 553586835 /nfs/dbraw/zinc/58/68/35/553586835.db2.gz ISDXCABXGYHZSL-CIAFOILYSA-N -1 0 515.522 4.302 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000017042955 553587153 /nfs/dbraw/zinc/58/71/53/553587153.db2.gz VOHWKGJOVFVRRK-KQWNVCNZSA-N -1 0 509.518 4.036 50 10 KICARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1 ZINC000017155058 553589359 /nfs/dbraw/zinc/58/93/59/553589359.db2.gz FIWPCYWFRBHSDE-FBHDLOMBSA-N -1 0 506.492 4.357 50 10 KICARM CCOC(=O)N(C)CCc1cc2c(c(OC)c1C=C1C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2 ZINC000017195646 553590234 /nfs/dbraw/zinc/59/02/34/553590234.db2.gz AWSFOPDADFZTAQ-DEDYPNTBSA-N -1 0 523.542 4.178 50 10 KICARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000017466111 553596493 /nfs/dbraw/zinc/59/64/93/553596493.db2.gz FLPRHUCJGALWQU-UHFFFAOYSA-N -1 0 553.525 4.009 50 10 KICARM O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000019800508 553617562 /nfs/dbraw/zinc/61/75/62/553617562.db2.gz VFKFCXZLDLEWAH-LDADJPATSA-N -1 0 506.030 4.282 50 10 KICARM CCOC(=O)c1oc2c(cc(CC)c([O-])c2CN2CCN(C)CC2)c(=O)c1-c1nc2ccccc2s1 ZINC000020057838 553671437 /nfs/dbraw/zinc/67/14/37/553671437.db2.gz DHBTXDFKTCGMAA-UHFFFAOYSA-N -1 0 507.612 4.262 50 10 KICARM CCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCN(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000020392181 553645403 /nfs/dbraw/zinc/64/54/03/553645403.db2.gz NLQXZNUSCUTBCM-UHFFFAOYSA-N -1 0 506.477 4.234 50 10 KICARM Cc1cc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C ZINC000022015557 553722974 /nfs/dbraw/zinc/72/29/74/553722974.db2.gz YSTVFDAKLDMYCR-NDEPHWFRSA-N -1 0 508.622 4.476 50 10 in-vitro KICARM COc1ccccc1OCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000022146079 553727104 /nfs/dbraw/zinc/72/71/04/553727104.db2.gz LXBBCWVJBHUIQF-SILNSSARSA-N -1 0 502.523 4.136 50 10 KICARM COc1ccc(N2CCN([C@H](c3sc4nc(C)nn4c3[O-])c3cccc(Br)c3)CC2)cc1 ZINC000022627286 553748528 /nfs/dbraw/zinc/74/85/28/553748528.db2.gz SEJAAQDCDKMXKG-FQEVSTJZSA-N -1 0 514.449 4.488 50 10 KICARM COc1ccc(N2CCN([C@@H](c3sc4nc(C)nn4c3[O-])c3cccc(Br)c3)CC2)cc1 ZINC000022627290 553748403 /nfs/dbraw/zinc/74/84/03/553748403.db2.gz SEJAAQDCDKMXKG-HXUWFJFHSA-N -1 0 514.449 4.488 50 10 KICARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(OC)cc3)CC2)cc1OC ZINC000022627339 553748455 /nfs/dbraw/zinc/74/84/55/553748455.db2.gz LICFXDFIZVXHDV-HSZRJFAPSA-N -1 0 509.632 4.132 50 10 KICARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(OC)cc3)CC2)cc1OC ZINC000022627342 553748736 /nfs/dbraw/zinc/74/87/36/553748736.db2.gz LICFXDFIZVXHDV-QHCPKHFHSA-N -1 0 509.632 4.132 50 10 KICARM COc1ccc(N2CCN([C@H](c3sc4nc(C)nn4c3[O-])c3ccc(Br)cc3)CC2)cc1 ZINC000023157064 553771057 /nfs/dbraw/zinc/77/10/57/553771057.db2.gz SSZPFZIZZWCBDY-FQEVSTJZSA-N -1 0 514.449 4.488 50 10 KICARM COc1ccc(N2CCN([C@@H](c3sc4nc(C)nn4c3[O-])c3ccc(Br)cc3)CC2)cc1 ZINC000023157066 553770955 /nfs/dbraw/zinc/77/09/55/553770955.db2.gz SSZPFZIZZWCBDY-HXUWFJFHSA-N -1 0 514.449 4.488 50 10 KICARM Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c3ccccc32)c1 ZINC000025581033 553811488 /nfs/dbraw/zinc/81/14/88/553811488.db2.gz VDMSZXYXQVXOPW-FCQUAONHSA-N -1 0 523.636 4.197 50 10 KICARM O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000026967571 553822891 /nfs/dbraw/zinc/82/28/91/553822891.db2.gz VFKFCXZLDLEWAH-PDGQHHTCSA-N -1 0 506.030 4.282 50 10 KICARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 ZINC000027531840 553832030 /nfs/dbraw/zinc/83/20/30/553832030.db2.gz ZXJLIXBZIIZRLN-NCELDCMTSA-N -1 0 502.567 4.330 50 10 KICARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000027532435 553831993 /nfs/dbraw/zinc/83/19/93/553831993.db2.gz UDRVJUBGXCLCTJ-UHFFFAOYSA-N -1 0 512.687 4.122 50 10 KICARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)NC[C@@H]4CCCO4)c4ccccc34)C2=O)c1C ZINC000027549095 553833610 /nfs/dbraw/zinc/83/36/10/553833610.db2.gz AWCACUCUBZQGLB-BOURKTIISA-N -1 0 500.555 4.060 50 10 KICARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)NC[C@H]4CCCO4)c4ccccc34)C2=O)c1C ZINC000027549098 553833576 /nfs/dbraw/zinc/83/35/76/553833576.db2.gz AWCACUCUBZQGLB-CCULFSDZSA-N -1 0 500.555 4.060 50 10 KICARM Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1 ZINC000028117708 553837724 /nfs/dbraw/zinc/83/77/24/553837724.db2.gz YOYKMQBOLMEHSU-RGEXLXHISA-N -1 0 544.705 4.482 50 10 KICARM O=C([O-])CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S ZINC000028863697 553843963 /nfs/dbraw/zinc/84/39/63/553843963.db2.gz BEXMTSMKZLWVEP-HNENSFHCSA-N -1 0 517.426 4.432 50 10 KICARM O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCC(Cc3ccccc3)CC2)SC1=S ZINC000029747431 553847320 /nfs/dbraw/zinc/84/73/20/553847320.db2.gz UIAYUHPQABFRMO-PYCFMQQDSA-N -1 0 548.690 4.220 50 10 KICARM CCCCCCn1c(=O)[nH]c2nc3cc(NC=C4C(=O)[N-]C(=O)N(Cc5ccccc5)C4=O)ccc3nc2c1=O ZINC000029749800 553852888 /nfs/dbraw/zinc/85/28/88/553852888.db2.gz VHIHCDFLPOGUID-CYVLTUHYSA-N -1 0 541.568 4.040 50 10 KICARM O=C(c1c2ccccc2[nH]c1-c1ccccc1)c1cc(CN2CCOCC2)c([O-])c(CN2CCOCC2)c1 ZINC000033285871 553920373 /nfs/dbraw/zinc/92/03/73/553920373.db2.gz MVEOVXOGZPWVHN-UHFFFAOYSA-N -1 0 511.622 4.436 50 10 KICARM CCOC(=O)c1ccc2c(c1)N(CCCS(=O)(=O)[O-])/C(=C\C=C/c1n(CC)c3ccc(C(=O)OCC)cc3[n+]1CCCS(=O)(=O)[O-])N2CC ZINC000033353422 553925011 /nfs/dbraw/zinc/92/50/11/553925011.db2.gz RTVZLFKMGHUGGR-UHFFFAOYSA-O -1 0 719.859 4.059 50 10 KICARM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1 ZINC000033455799 553960805 /nfs/dbraw/zinc/96/08/05/553960805.db2.gz PJMQMLDZMNJDEA-HMAPJEAMSA-N -1 0 500.467 4.427 50 10 KICARM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(SC)c1 ZINC000033827567 553974679 /nfs/dbraw/zinc/97/46/79/553974679.db2.gz MQZABCREJJWVEH-GRSHGNNSSA-N -1 0 518.638 4.111 50 10 KICARM O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036083047 554175023 /nfs/dbraw/zinc/17/50/23/554175023.db2.gz QAKHQEFGXNJFIB-CXUHLZMHSA-N -1 0 508.375 4.293 50 10 KICARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2=O)cc1 ZINC000041585065 554296535 /nfs/dbraw/zinc/29/65/35/554296535.db2.gz URLHMNKQUXVUKM-UHFFFAOYSA-N -1 0 500.551 4.221 50 10 KICARM COCCN(CCOC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21 ZINC000054201926 554349121 /nfs/dbraw/zinc/34/91/21/554349121.db2.gz VVOZKHBMHARLFO-UHFFFAOYSA-N -1 0 511.493 4.296 50 10 biogenic KICARM CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c1 ZINC000058993057 554371566 /nfs/dbraw/zinc/37/15/66/554371566.db2.gz RSKPGVNRZFSJCJ-QNGOZBTKSA-N -1 0 529.665 4.417 50 10 KICARM COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1[O-] ZINC000064819834 554517702 /nfs/dbraw/zinc/51/77/02/554517702.db2.gz VCRBJJOFEZKHNY-DEOSSOPVSA-N -1 0 510.890 4.454 50 10 KICARM COc1cc([N+](=O)[O-])cc([C@H]2OC(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)=NN2C(C)=O)c1[O-] ZINC000064819835 554517718 /nfs/dbraw/zinc/51/77/18/554517718.db2.gz VCRBJJOFEZKHNY-XMMPIXPASA-N -1 0 510.890 4.454 50 10 KICARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 ZINC000070671990 553601393 /nfs/dbraw/zinc/60/13/93/553601393.db2.gz OQKQYKQKHAJTHR-JCMHNJIXSA-N -1 0 561.978 4.058 50 10 biogenic KICARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C1=O)OCO2 ZINC000070672107 553601718 /nfs/dbraw/zinc/60/17/18/553601718.db2.gz MLRJRMGAKHVCDL-JLPGSUDCSA-N -1 0 569.614 4.330 50 10 biogenic KICARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1/C=C1/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)OCO2 ZINC000070672204 553601893 /nfs/dbraw/zinc/60/18/93/553601893.db2.gz RMVYECNSHIISHT-JCMHNJIXSA-N -1 0 606.429 4.168 50 10 biogenic KICARM COc1ccc(CN(CC(=O)[O-])C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1 ZINC000071788155 553638004 /nfs/dbraw/zinc/63/80/04/553638004.db2.gz XDJHXXOYIQLAEM-MHZLTWQESA-N -1 0 604.656 4.453 50 10 KICARM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000083330033 553676936 /nfs/dbraw/zinc/67/69/36/553676936.db2.gz PBGYHHIKHIRCDP-WOJGMQOQSA-N -1 0 502.287 4.436 50 10 KICARM COc1ccc2cc([C@@H]3CC(=O)Oc4c(O)c([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1 ZINC000096114027 553724739 /nfs/dbraw/zinc/72/47/39/553724739.db2.gz SXEXCPUTCYLNKF-KRWDZBQOSA-N -1 0 511.486 4.173 50 10 biogenic KICARM COc1ccc2cc([C@H]3CC(=O)Oc4c(O)c([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)n(C)c2c1 ZINC000096114028 553724681 /nfs/dbraw/zinc/72/46/81/553724681.db2.gz SXEXCPUTCYLNKF-QGZVFWFLSA-N -1 0 511.486 4.173 50 10 biogenic KICARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096114040 553724750 /nfs/dbraw/zinc/72/47/50/553724750.db2.gz QVAIQTXCQZTXTG-QGZVFWFLSA-N -1 0 522.506 4.470 50 10 biogenic KICARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096114041 553724727 /nfs/dbraw/zinc/72/47/27/553724727.db2.gz QVAIQTXCQZTXTG-KRWDZBQOSA-N -1 0 522.506 4.470 50 10 biogenic KICARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC ZINC000096114399 553725007 /nfs/dbraw/zinc/72/50/07/553725007.db2.gz WDQVONXNYRWPGM-AWEZNQCLSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c(OC)c1OC ZINC000096114400 553724990 /nfs/dbraw/zinc/72/49/90/553724990.db2.gz WDQVONXNYRWPGM-CQSZACIVSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COC(=O)C[C@@H](c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2)C1=Cc2ccccc2OC1 ZINC000096114555 553724905 /nfs/dbraw/zinc/72/49/05/553724905.db2.gz LICMPEMHTKCXTF-MRXNPFEDSA-N -1 0 518.474 4.111 50 10 biogenic KICARM COC(=O)C[C@H](c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2)C1=Cc2ccccc2OC1 ZINC000096114556 553724983 /nfs/dbraw/zinc/72/49/83/553724983.db2.gz LICMPEMHTKCXTF-INIZCTEOSA-N -1 0 518.474 4.111 50 10 biogenic KICARM COc1cc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc(OC)c1OC(C)=O ZINC000096114652 553725305 /nfs/dbraw/zinc/72/53/05/553725305.db2.gz JGMRDGJDRDLWCL-INIZCTEOSA-N -1 0 518.474 4.255 50 10 biogenic KICARM COc1cc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc(OC)c1OC(C)=O ZINC000096114653 553725398 /nfs/dbraw/zinc/72/53/98/553725398.db2.gz JGMRDGJDRDLWCL-MRXNPFEDSA-N -1 0 518.474 4.255 50 10 biogenic KICARM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC ZINC000096115098 553725694 /nfs/dbraw/zinc/72/56/94/553725694.db2.gz FHDNUTSUWGSOGF-AWEZNQCLSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COc1cc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC ZINC000096115099 553725778 /nfs/dbraw/zinc/72/57/78/553725778.db2.gz FHDNUTSUWGSOGF-CQSZACIVSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC ZINC000096115164 553725658 /nfs/dbraw/zinc/72/56/58/553725658.db2.gz BUOFDUVLHVPTGD-AWEZNQCLSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc(OC)c1OC ZINC000096115165 553725650 /nfs/dbraw/zinc/72/56/50/553725650.db2.gz BUOFDUVLHVPTGD-CQSZACIVSA-N -1 0 506.463 4.044 50 10 biogenic KICARM COc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000096116053 553726603 /nfs/dbraw/zinc/72/66/03/553726603.db2.gz YPRRJTZRQUHFRY-AWEZNQCLSA-N -1 0 514.442 4.133 50 10 biogenic KICARM COc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000096116054 553726559 /nfs/dbraw/zinc/72/65/59/553726559.db2.gz YPRRJTZRQUHFRY-CQSZACIVSA-N -1 0 514.442 4.133 50 10 biogenic KICARM COC(=O)C[C@@H](c1cccc2cccnc21)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096116157 553726732 /nfs/dbraw/zinc/72/67/32/553726732.db2.gz CWYXUSHRWPIGDL-INIZCTEOSA-N -1 0 515.474 4.231 50 10 biogenic KICARM COC(=O)C[C@H](c1cccc2cccnc21)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096116158 553726893 /nfs/dbraw/zinc/72/68/93/553726893.db2.gz CWYXUSHRWPIGDL-MRXNPFEDSA-N -1 0 515.474 4.231 50 10 biogenic KICARM COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220845 553730228 /nfs/dbraw/zinc/73/02/28/553730228.db2.gz WLUIPSIQPSRYFY-MRXNPFEDSA-N -1 0 520.490 4.052 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220847 553730239 /nfs/dbraw/zinc/73/02/39/553730239.db2.gz WLUIPSIQPSRYFY-INIZCTEOSA-N -1 0 520.490 4.052 50 10 biogenic KICARM O=C1C[C@@H](c2ccccc2Br)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096221058 553730149 /nfs/dbraw/zinc/73/01/49/553730149.db2.gz OZTYHYCCVVRPNN-LBPRGKRZSA-N -1 0 511.280 4.486 50 10 biogenic KICARM O=C1C[C@H](c2ccccc2Br)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096221059 553730291 /nfs/dbraw/zinc/73/02/91/553730291.db2.gz OZTYHYCCVVRPNN-GFCCVEGCSA-N -1 0 511.280 4.486 50 10 biogenic KICARM CCOc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC ZINC000096221249 553730140 /nfs/dbraw/zinc/73/01/40/553730140.db2.gz BQDKHCWSLSLVJH-AWEZNQCLSA-N -1 0 506.463 4.131 50 10 biogenic KICARM CCOc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1OC ZINC000096221251 553730204 /nfs/dbraw/zinc/73/02/04/553730204.db2.gz BQDKHCWSLSLVJH-CQSZACIVSA-N -1 0 506.463 4.131 50 10 biogenic KICARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221400 553730647 /nfs/dbraw/zinc/73/06/47/553730647.db2.gz XVBHJHSLASYAHQ-MRXNPFEDSA-N -1 0 522.506 4.298 50 10 biogenic KICARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221401 553730705 /nfs/dbraw/zinc/73/07/05/553730705.db2.gz XVBHJHSLASYAHQ-INIZCTEOSA-N -1 0 522.506 4.298 50 10 biogenic KICARM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221615 553730596 /nfs/dbraw/zinc/73/05/96/553730596.db2.gz FJUUYOHQHMARPT-OAHLLOKOSA-N -1 0 506.463 4.009 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221616 553730741 /nfs/dbraw/zinc/73/07/41/553730741.db2.gz FJUUYOHQHMARPT-HNNXBMFYSA-N -1 0 506.463 4.009 50 10 biogenic KICARM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221655 553730665 /nfs/dbraw/zinc/73/06/65/553730665.db2.gz XJXIEABGQBHTMS-MRXNPFEDSA-N -1 0 522.506 4.298 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221656 553730508 /nfs/dbraw/zinc/73/05/08/553730508.db2.gz XJXIEABGQBHTMS-INIZCTEOSA-N -1 0 522.506 4.298 50 10 biogenic KICARM COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221850 553730886 /nfs/dbraw/zinc/73/08/86/553730886.db2.gz WYFIZZSODLYELW-INIZCTEOSA-N -1 0 500.459 4.378 50 10 biogenic KICARM COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221851 553730967 /nfs/dbraw/zinc/73/09/67/553730967.db2.gz WYFIZZSODLYELW-MRXNPFEDSA-N -1 0 500.459 4.378 50 10 biogenic KICARM Cc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000096221856 553730946 /nfs/dbraw/zinc/73/09/46/553730946.db2.gz ZNKNNZWUSIVXIK-ZDUSSCGKSA-N -1 0 514.442 4.138 50 10 biogenic KICARM Cc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c43)c(=O)c2c1 ZINC000096221857 553730933 /nfs/dbraw/zinc/73/09/33/553730933.db2.gz ZNKNNZWUSIVXIK-CYBMUJFWSA-N -1 0 514.442 4.138 50 10 biogenic KICARM O=C1C[C@@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096222163 553731004 /nfs/dbraw/zinc/73/10/04/553731004.db2.gz WNWNCYFHHCFZIW-NSHDSACASA-N -1 0 510.838 4.106 50 10 biogenic KICARM O=C1C[C@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000096222165 553731014 /nfs/dbraw/zinc/73/10/14/553731014.db2.gz WNWNCYFHHCFZIW-LLVKDONJSA-N -1 0 510.838 4.106 50 10 biogenic KICARM COC(=O)C[C@@H](c1ccnc2ccccc21)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C(=O)C=C1[O-] ZINC000096222516 553731289 /nfs/dbraw/zinc/73/12/89/553731289.db2.gz JAIJLTALXAQIJH-INIZCTEOSA-N -1 0 515.474 4.231 50 10 biogenic KICARM COC(=O)C[C@H](c1ccnc2ccccc21)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C(=O)C=C1[O-] ZINC000096222517 553731244 /nfs/dbraw/zinc/73/12/44/553731244.db2.gz JAIJLTALXAQIJH-MRXNPFEDSA-N -1 0 515.474 4.231 50 10 biogenic KICARM CCOc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000096222619 553731267 /nfs/dbraw/zinc/73/12/67/553731267.db2.gz NVTDXTQTGOWOPS-AWEZNQCLSA-N -1 0 506.463 4.131 50 10 biogenic KICARM CCOc1c(OC)cccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000096222620 553731239 /nfs/dbraw/zinc/73/12/39/553731239.db2.gz NVTDXTQTGOWOPS-CQSZACIVSA-N -1 0 506.463 4.131 50 10 biogenic KICARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096222811 553731248 /nfs/dbraw/zinc/73/12/48/553731248.db2.gz BEFSJYDSBLFNQS-INIZCTEOSA-N -1 0 515.474 4.231 50 10 biogenic KICARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000096222812 553731280 /nfs/dbraw/zinc/73/12/80/553731280.db2.gz BEFSJYDSBLFNQS-MRXNPFEDSA-N -1 0 515.474 4.231 50 10 biogenic KICARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222913 553731745 /nfs/dbraw/zinc/73/17/45/553731745.db2.gz ZGPFHESDMPHHKL-MRXNPFEDSA-N -1 0 522.506 4.298 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222915 553731658 /nfs/dbraw/zinc/73/16/58/553731658.db2.gz ZGPFHESDMPHHKL-INIZCTEOSA-N -1 0 522.506 4.298 50 10 biogenic KICARM Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCCCC4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000096234391 553731542 /nfs/dbraw/zinc/73/15/42/553731542.db2.gz MDTMZJHAXVNWQL-HZHRSRAPSA-N -1 0 500.624 4.102 50 10 KICARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000097944459 553769658 /nfs/dbraw/zinc/76/96/58/553769658.db2.gz XEFSEOPFNSXFCZ-YBEGLDIGSA-N -1 0 539.729 4.364 50 10 KICARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000097946888 553782091 /nfs/dbraw/zinc/78/20/91/553782091.db2.gz VFAYVPLPQHMXJU-NKFKGCMQSA-N -1 0 595.722 4.315 50 10 KICARM O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000097947756 553788672 /nfs/dbraw/zinc/78/86/72/553788672.db2.gz YWAXALCWOCNRPE-QGOAFFKASA-N -1 0 548.668 4.313 50 10 KICARM COc1cccc(OCCOc2c(Br)cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2OC)c1 ZINC000097958638 553856513 /nfs/dbraw/zinc/85/65/13/553856513.db2.gz UUZPHSARPARIPT-FYJGNVAPSA-N -1 0 539.382 4.386 50 10 KICARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1 ZINC000097960531 553872268 /nfs/dbraw/zinc/87/22/68/553872268.db2.gz DCNDBXFJHSOILO-ZSOIEALJSA-N -1 0 552.321 4.310 50 10 KICARM CCOC(=O)COc1c(I)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000097960536 553872309 /nfs/dbraw/zinc/87/23/09/553872309.db2.gz HDTSLBGIQUCEHM-YVLHZVERSA-N -1 0 578.359 4.447 50 10 KICARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 ZINC000097960547 553872344 /nfs/dbraw/zinc/87/23/44/553872344.db2.gz GGUOXERWCLEHDA-ZROIWOOFSA-N -1 0 525.153 4.148 50 10 KICARM COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000097960563 553872723 /nfs/dbraw/zinc/87/27/23/553872723.db2.gz AXKVJBKBFQNTJK-YBFXNURJSA-N -1 0 533.468 4.087 50 10 KICARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1O ZINC000097960883 553874113 /nfs/dbraw/zinc/87/41/13/553874113.db2.gz VLVWPHRILRJZTF-ZSOIEALJSA-N -1 0 524.336 4.076 50 10 KICARM CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000097960897 553874004 /nfs/dbraw/zinc/87/40/04/553874004.db2.gz FHSRYIKKRJDMNL-YBEGLDIGSA-N -1 0 519.373 4.071 50 10 KICARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000097960905 553874046 /nfs/dbraw/zinc/87/40/46/553874046.db2.gz XIEWIAHDQUIKGM-JAIQZWGSSA-N -1 0 559.467 4.176 50 10 KICARM CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000097960907 553873992 /nfs/dbraw/zinc/87/39/92/553873992.db2.gz CUVKNBMYIMBFQC-OVCLIPMQSA-N -1 0 519.373 4.222 50 10 KICARM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000097961093 553875120 /nfs/dbraw/zinc/87/51/20/553875120.db2.gz JZOHETBJVXEMLL-RGEXLXHISA-N -1 0 540.985 4.037 50 10 KICARM COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000097961974 553881868 /nfs/dbraw/zinc/88/18/68/553881868.db2.gz XRZSGDCQUUWYJH-DEDYPNTBSA-N -1 0 525.633 4.320 50 10 KICARM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000097961977 553881975 /nfs/dbraw/zinc/88/19/75/553881975.db2.gz OTVHWNSCSGQYHV-DEDYPNTBSA-N -1 0 525.633 4.320 50 10 KICARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Br)cc3Cl)cc2)SC1=S ZINC000097962706 553885128 /nfs/dbraw/zinc/88/51/28/553885128.db2.gz XQKQOIABTHGZKY-FRKPEAEDSA-N -1 0 541.832 4.406 50 10 KICARM Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000097962709 553885175 /nfs/dbraw/zinc/88/51/75/553885175.db2.gz SACMQGBZTLZCOD-RQZCQDPDSA-N -1 0 535.441 4.369 50 10 KICARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Br)c1OC(=O)c1cccs1 ZINC000097964134 553896584 /nfs/dbraw/zinc/89/65/84/553896584.db2.gz CHLXZUXMNQOVCH-NTUHNPAUSA-N -1 0 514.400 4.024 50 10 KICARM COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)[N-]C2=S)c1 ZINC000097966953 553912257 /nfs/dbraw/zinc/91/22/57/553912257.db2.gz HICQWKKACYAACV-BKUYFWCQSA-N -1 0 557.584 4.180 50 10 KICARM COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O ZINC000097966968 553912341 /nfs/dbraw/zinc/91/23/41/553912341.db2.gz NSUPYGWEVUTKAS-OQLLNIDSSA-N -1 0 526.156 4.064 50 10 KICARM COc1c2c(cc(CCN(C)C(=O)c3ccccc3)c1C=C1C(=O)[N-]C(=O)N(c3ccc(I)cc3)C1=O)OCO2 ZINC000097967054 553913447 /nfs/dbraw/zinc/91/34/47/553913447.db2.gz VJWAXWHIWJUVMB-JCMHNJIXSA-N -1 0 653.429 4.214 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000097967267 553916376 /nfs/dbraw/zinc/91/63/76/553916376.db2.gz UYSNGBZFJCENHN-CIAFOILYSA-N -1 0 590.386 4.133 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097967330 553917240 /nfs/dbraw/zinc/91/72/40/553917240.db2.gz WBJDQWLBWYVRNM-QRVIBDJDSA-N -1 0 575.574 4.129 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000097967547 553920209 /nfs/dbraw/zinc/92/02/09/553920209.db2.gz OPRYQQXZDARNBK-BKUYFWCQSA-N -1 0 560.360 4.125 50 10 KICARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(N2CCOCC2)o1 ZINC000097968444 553932476 /nfs/dbraw/zinc/93/24/76/553932476.db2.gz FMWVABSHXWRTLS-ZROIWOOFSA-N -1 0 541.221 4.313 50 10 KICARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097968473 553932792 /nfs/dbraw/zinc/93/27/92/553932792.db2.gz QIXRLGZQLKNCBA-PCLIKHOPSA-N -1 0 531.540 4.076 50 10 KICARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O ZINC000097968489 553932886 /nfs/dbraw/zinc/93/28/86/553932886.db2.gz RMEGPUVYXQNHTJ-SDQBBNPISA-N -1 0 514.728 4.330 50 10 KICARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000097968490 553932901 /nfs/dbraw/zinc/93/29/01/553932901.db2.gz VDEPCABGRNCBRM-ZHZULCJRSA-N -1 0 527.558 4.172 50 10 KICARM COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O ZINC000097968827 553934583 /nfs/dbraw/zinc/93/45/83/553934583.db2.gz JBJLCKKRGZERTK-RGEXLXHISA-N -1 0 560.704 4.183 50 10 KICARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2c(CCN(C)C(=S)NCc3ccccc3)cc3c(c2OC)OCO3)C1=O ZINC000097968984 553935597 /nfs/dbraw/zinc/93/55/97/553935597.db2.gz GYJDDDZDXRZZHL-HAVVHWLPSA-N -1 0 580.707 4.015 50 10 KICARM COc1cccc(N2C(=O)C(=Cc3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(=O)[N-]C2=S)c1 ZINC000097969063 553936209 /nfs/dbraw/zinc/93/62/09/553936209.db2.gz WWAANGUGVIEBFY-XKZIYDEJSA-N -1 0 527.558 4.172 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000097969137 553937107 /nfs/dbraw/zinc/93/71/07/553937107.db2.gz NYDUZEGUNDLYEX-CIAFOILYSA-N -1 0 545.935 4.024 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000097970335 553952981 /nfs/dbraw/zinc/95/29/81/553952981.db2.gz LOWSZAIXAIXHHN-CIAFOILYSA-N -1 0 545.548 4.311 50 10 KICARM COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000097970710 553957775 /nfs/dbraw/zinc/95/77/75/553957775.db2.gz JSTDLNUYRZIXAW-FYJGNVAPSA-N -1 0 527.558 4.172 50 10 KICARM COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971838 553963118 /nfs/dbraw/zinc/96/31/18/553963118.db2.gz BTENIZLVUHQZGI-MRXNPFEDSA-N -1 0 552.532 4.479 50 10 biogenic KICARM COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971839 553963087 /nfs/dbraw/zinc/96/30/87/553963087.db2.gz BTENIZLVUHQZGI-INIZCTEOSA-N -1 0 552.532 4.479 50 10 biogenic KICARM COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971890 553963607 /nfs/dbraw/zinc/96/36/07/553963607.db2.gz CXUMQSSTQASROS-AWEZNQCLSA-N -1 0 530.432 4.284 50 10 biogenic KICARM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971891 553963922 /nfs/dbraw/zinc/96/39/22/553963922.db2.gz CXUMQSSTQASROS-CQSZACIVSA-N -1 0 530.432 4.284 50 10 biogenic KICARM COC(=O)C[C@@H](c1cccc(Br)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971975 553964668 /nfs/dbraw/zinc/96/46/68/553964668.db2.gz RXQLQIBQSKJXCV-AWEZNQCLSA-N -1 0 543.322 4.446 50 10 biogenic KICARM COC(=O)C[C@H](c1cccc(Br)c1)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000097971976 553964601 /nfs/dbraw/zinc/96/46/01/553964601.db2.gz RXQLQIBQSKJXCV-CQSZACIVSA-N -1 0 543.322 4.446 50 10 biogenic KICARM COc1cc(/C=C2/SC(=S)N(CCCCC(=O)[O-])C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097990671 554028795 /nfs/dbraw/zinc/02/87/95/554028795.db2.gz MSYMJUVDHOZRKA-XSFVSMFZSA-N -1 0 521.638 4.227 50 10 KICARM O=C([O-])CCCN1C(=O)/C(=C2/SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000098086296 554176599 /nfs/dbraw/zinc/17/65/99/554176599.db2.gz RYLXGWSDHGJLOD-ISLYRVAYSA-N -1 0 503.399 4.437 50 10 KICARM CCCCN1C(=O)C(=C/C=C\C=C2\Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S ZINC000098207874 554176857 /nfs/dbraw/zinc/17/68/57/554176857.db2.gz SKDUSRXOWAXOCO-VGWMMCCYSA-N -1 0 547.699 4.043 50 10 in-vitro KICARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOCCOc1ccccc1 ZINC000100054517 554195600 /nfs/dbraw/zinc/19/56/00/554195600.db2.gz FVONUUUPEAIIHA-PTGBLXJZSA-N -1 0 523.383 4.385 50 10 KICARM CCOC(=O)c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)=C2[O-])cc1 ZINC000100143767 554229719 /nfs/dbraw/zinc/22/97/19/554229719.db2.gz FUHIUOJBVQGWJX-LVSMMTLPSA-N -1 0 500.985 4.050 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1O ZINC000100164336 554235787 /nfs/dbraw/zinc/23/57/87/554235787.db2.gz KQUVPCYWWBSJFT-GHXNOFRVSA-N -1 0 516.573 4.431 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(Br)c(Br)c1O ZINC000100164555 554235772 /nfs/dbraw/zinc/23/57/72/554235772.db2.gz DKBNRQQMONMAKD-SDQBBNPISA-N -1 0 516.573 4.431 50 10 KICARM CNc1c(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000100192573 554245105 /nfs/dbraw/zinc/24/51/05/554245105.db2.gz DOGSEOOQFSCNJH-VGOFMYFVSA-N -1 0 601.182 4.221 50 10 KICARM CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000100192767 554245088 /nfs/dbraw/zinc/24/50/88/554245088.db2.gz PKZYUCQQTDXKGK-ZSOIEALJSA-N -1 0 526.714 4.018 50 10 KICARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(I)c1O ZINC000100194508 554245710 /nfs/dbraw/zinc/24/57/10/554245710.db2.gz MDLOSUCVSDWXSU-LFYBBSHMSA-N -1 0 608.049 4.353 50 10 KICARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000100194517 554245777 /nfs/dbraw/zinc/24/57/77/554245777.db2.gz VZVKQWQZOSPMTO-BOPFTXTBSA-N -1 0 528.340 4.457 50 10 KICARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000100195236 554245724 /nfs/dbraw/zinc/24/57/24/554245724.db2.gz HVVBVUJITAXNHW-BOPFTXTBSA-N -1 0 528.340 4.457 50 10 KICARM CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC ZINC000100223439 554252434 /nfs/dbraw/zinc/25/24/34/554252434.db2.gz UNSXDZWMXKRNDZ-GXDHUFHOSA-N -1 0 523.394 4.165 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccccc1OC ZINC000100229033 554254482 /nfs/dbraw/zinc/25/44/82/554254482.db2.gz IKPZLUBFSHKLDN-XLNRJJMWSA-N -1 0 532.549 4.227 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100229237 554254622 /nfs/dbraw/zinc/25/46/22/554254622.db2.gz JFZSQRCHYJVIAH-KQWNVCNZSA-N -1 0 531.521 4.426 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100229246 554254573 /nfs/dbraw/zinc/25/45/73/554254573.db2.gz ITYCKYFJUCQUDO-KQWNVCNZSA-N -1 0 531.521 4.426 50 10 KICARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000100229253 554254678 /nfs/dbraw/zinc/25/46/78/554254678.db2.gz BRLJVBDSQLYYDT-KQWNVCNZSA-N -1 0 547.520 4.126 50 10 KICARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)cc1 ZINC000100241274 554260264 /nfs/dbraw/zinc/26/02/64/554260264.db2.gz JSNFVWDUZAZYEC-XYGWBWBKSA-N -1 0 529.549 4.298 50 10 KICARM CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)cc1 ZINC000100241475 554260522 /nfs/dbraw/zinc/26/05/22/554260522.db2.gz SCHXYAFIRWDUPT-XYGWBWBKSA-N -1 0 545.617 4.463 50 10 KICARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(Br)cc1 ZINC000100272914 554270675 /nfs/dbraw/zinc/27/06/75/554270675.db2.gz YQOJKTFMYNMUKF-RCCKNPSSSA-N -1 0 524.327 4.277 50 10 KICARM COc1c(I)cc(I)cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000100282010 554277011 /nfs/dbraw/zinc/27/70/11/554277011.db2.gz HOVRFJDTZZESFP-QPEQYQDCSA-N -1 0 580.547 4.019 50 10 KICARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O ZINC000100282229 554277040 /nfs/dbraw/zinc/27/70/40/554277040.db2.gz ZOKKOVKAINSRMZ-SDQBBNPISA-N -1 0 516.971 4.141 50 10 KICARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000100291831 554284453 /nfs/dbraw/zinc/28/44/53/554284453.db2.gz SZXBEEKUKKUKNR-MTJSOVHGSA-N -1 0 549.461 4.177 50 10 KICARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292582 554284493 /nfs/dbraw/zinc/28/44/93/554284493.db2.gz QIXRLGZQLKNCBA-XYGWBWBKSA-N -1 0 531.540 4.076 50 10 KICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292597 554284607 /nfs/dbraw/zinc/28/46/07/554284607.db2.gz HUWAKLCVVJXFOM-JCMHNJIXSA-N -1 0 531.590 4.073 50 10 KICARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000100292598 554284595 /nfs/dbraw/zinc/28/45/95/554284595.db2.gz HUWAKLCVVJXFOM-PXLXIMEGSA-N -1 0 531.590 4.073 50 10 KICARM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000100340107 554324568 /nfs/dbraw/zinc/32/45/68/554324568.db2.gz IHQWHWLHRJJLFR-LICLKQGHSA-N -1 0 514.566 4.398 50 10 KICARM COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)cc1 ZINC000100345573 554329841 /nfs/dbraw/zinc/32/98/41/554329841.db2.gz JOLLOCWCPNXPBZ-BUVRLJJBSA-N -1 0 531.590 4.073 50 10 KICARM COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)cc1 ZINC000100345577 554329865 /nfs/dbraw/zinc/32/98/65/554329865.db2.gz JOLLOCWCPNXPBZ-IWIPYMOSSA-N -1 0 531.590 4.073 50 10 KICARM COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)c1 ZINC000100369223 554355101 /nfs/dbraw/zinc/35/51/01/554355101.db2.gz VFPYPEPMGMLHQG-ZVHZXABRSA-N -1 0 531.590 4.073 50 10 KICARM COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(=O)[N-]C2=S)c1 ZINC000100369226 554355203 /nfs/dbraw/zinc/35/52/03/554355203.db2.gz VFPYPEPMGMLHQG-OYKKKHCWSA-N -1 0 531.590 4.073 50 10 KICARM [O-]c1c(I)cc(I)cc1CN1CCN(c2ccccc2F)CC1 ZINC000100417890 554385128 /nfs/dbraw/zinc/38/51/28/554385128.db2.gz UATFDGMZJNXMEF-UHFFFAOYSA-N -1 0 538.142 4.063 50 10 KICARM COc1c(I)cc(I)cc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000100464912 554397687 /nfs/dbraw/zinc/39/76/87/554397687.db2.gz SVWIHVJGQHWUJQ-MLPAPPSSSA-N -1 0 580.547 4.019 50 10 KICARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000100658818 554438211 /nfs/dbraw/zinc/43/82/11/554438211.db2.gz NQHNPPGPKRZZEZ-RIYZIHGNSA-N -1 0 526.714 4.018 50 10 KICARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1O ZINC000100713203 554454554 /nfs/dbraw/zinc/45/45/54/554454554.db2.gz SIHQENRKBFCMJS-ONNFQVAWSA-N -1 0 566.657 4.344 50 10 KICARM Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)[O-])C3=O)c3cc(Br)ccc32)cc1 ZINC000100723137 554456190 /nfs/dbraw/zinc/45/61/90/554456190.db2.gz KFJFJBLJFZZKTB-HNENSFHCSA-N -1 0 517.426 4.350 50 10 KICARM Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1 ZINC000100745678 554464191 /nfs/dbraw/zinc/46/41/91/554464191.db2.gz RIBDYOHTAQEBRP-BKUYFWCQSA-N -1 0 537.494 4.485 50 10 biogenic KICARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000100762114 554468152 /nfs/dbraw/zinc/46/81/52/554468152.db2.gz RNTRZOCDTPMLCY-XLNRJJMWSA-N -1 0 548.690 4.138 50 10 KICARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 ZINC000100762273 554468102 /nfs/dbraw/zinc/46/81/02/554468102.db2.gz SSOQKMWYWWLWJQ-PGMHBOJBSA-N -1 0 584.123 4.049 50 10 KICARM Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100762328 554468163 /nfs/dbraw/zinc/46/81/63/554468163.db2.gz ZSJRBRLIBAEOPX-QNGOZBTKSA-N -1 0 584.123 4.049 50 10 KICARM CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100836405 554483535 /nfs/dbraw/zinc/48/35/35/554483535.db2.gz ZNAVETMEESUWTO-VHXPQNKSSA-N -1 0 553.662 4.287 50 10 KICARM CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000100871333 554499014 /nfs/dbraw/zinc/49/90/14/554499014.db2.gz SAGWUEOAJFGARX-VHXPQNKSSA-N -1 0 581.672 4.065 50 10 KICARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000100888939 554510325 /nfs/dbraw/zinc/51/03/25/554510325.db2.gz KYCSWEHJSXHRIS-UHFFFAOYSA-N -1 0 569.455 4.221 50 10 KICARM Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(=O)n2c1 ZINC000100998649 554551497 /nfs/dbraw/zinc/55/14/97/554551497.db2.gz ZEUTWRVPZAKQCX-RGEXLXHISA-N -1 0 532.688 4.076 50 10 KICARM COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000100999777 554552293 /nfs/dbraw/zinc/55/22/93/554552293.db2.gz ZRJWORMANTYFRR-PXLXIMEGSA-N -1 0 583.717 4.133 50 10 KICARM O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000101000074 554552183 /nfs/dbraw/zinc/55/21/83/554552183.db2.gz CMCQLYZXEZDGQX-BOPFTXTBSA-N -1 0 551.096 4.437 50 10 KICARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000101000173 554552233 /nfs/dbraw/zinc/55/22/33/554552233.db2.gz GZBVZNPBRVBKJR-IWIPYMOSSA-N -1 0 539.613 4.446 50 10 KICARM Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c(NCCCOC(C)C)nc12 ZINC000101004173 554553554 /nfs/dbraw/zinc/55/35/54/554553554.db2.gz FEGPJRZZDFXNIQ-CYVLTUHYSA-N -1 0 532.688 4.076 50 10 KICARM COc1ccc(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000101028115 554564294 /nfs/dbraw/zinc/56/42/94/554564294.db2.gz RPOAYPCQMNBHMQ-FQEVSTJZSA-N -1 0 570.498 4.430 50 10 KICARM COc1ccc(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)c(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000101028117 554564325 /nfs/dbraw/zinc/56/43/25/554564325.db2.gz RPOAYPCQMNBHMQ-HXUWFJFHSA-N -1 0 570.498 4.430 50 10 KICARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(OCc4ccccn4)c(OC)c3)C2=O)cc1 ZINC000101090268 554581689 /nfs/dbraw/zinc/58/16/89/554581689.db2.gz WKEBQNFBDCDQQC-YBFXNURJSA-N -1 0 538.354 4.107 50 10 KICARM COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000101090966 554582120 /nfs/dbraw/zinc/58/21/20/554582120.db2.gz JOQLTVVHUHKFOF-OVCLIPMQSA-N -1 0 525.358 4.235 50 10 KICARM Cc1cc(Br)c(NC(=O)COc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2)cc1C ZINC000101094984 554584249 /nfs/dbraw/zinc/58/42/49/554584249.db2.gz APULTUGUIGNVJE-GIJQJNRQSA-N -1 0 535.441 4.369 50 10 KICARM Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000101123927 554644430 /nfs/dbraw/zinc/64/44/30/554644430.db2.gz RNTRZOCDTPMLCY-OQKWZONESA-N -1 0 548.690 4.138 50 10 KICARM COc1ccc(CN2CCN(c3cc(NCCC(=O)[O-])c4c5c3noc5-c3ccccc3C4=O)CC2)c(OC)c1OC ZINC000101218288 554685283 /nfs/dbraw/zinc/68/52/83/554685283.db2.gz GZZDXNMEUANXPL-UHFFFAOYSA-N -1 0 572.618 4.274 50 10 KICARM COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)[n-]c3S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000101291137 554708205 /nfs/dbraw/zinc/70/82/05/554708205.db2.gz XQDGGDAEEDXEGZ-UHFFFAOYSA-N -1 0 548.690 4.359 50 10 KICARM COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000101350246 554738123 /nfs/dbraw/zinc/73/81/23/554738123.db2.gz DVENEPNQGVCFTA-XMHGGMMESA-N -1 0 540.985 4.037 50 10 KICARM CCN(CCc1c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)[nH]c2ccccc21)C(C)=O ZINC000101368789 554744400 /nfs/dbraw/zinc/74/44/00/554744400.db2.gz NUYWYENEAPRYNX-XSFVSMFZSA-N -1 0 523.387 4.008 50 10 KICARM COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000101737855 554833948 /nfs/dbraw/zinc/83/39/48/554833948.db2.gz VZVKQWQZOSPMTO-GZTJUZNOSA-N -1 0 528.340 4.457 50 10 KICARM CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2O)N3)C1 ZINC000102080006 554875765 /nfs/dbraw/zinc/87/57/65/554875765.db2.gz FYRXANGHODKITE-HNNXBMFYSA-N -1 0 547.225 4.053 50 10 KICARM CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2O)N3)C1 ZINC000102080010 554875753 /nfs/dbraw/zinc/87/57/53/554875753.db2.gz FYRXANGHODKITE-OAHLLOKOSA-N -1 0 547.225 4.053 50 10 KICARM O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000102137343 554887781 /nfs/dbraw/zinc/88/77/81/554887781.db2.gz MHILTQZWXCCEAM-UEKVPHQBSA-N -1 0 544.143 4.083 50 10 KICARM O=C1N[C@H](c2cc(Br)cc(Br)c2O)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000102137349 554887794 /nfs/dbraw/zinc/88/77/94/554887794.db2.gz MHILTQZWXCCEAM-FIXISWKDSA-N -1 0 544.143 4.083 50 10 KICARM COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4n3)CC2)cc1 ZINC000102314051 554910169 /nfs/dbraw/zinc/91/01/69/554910169.db2.gz AXTPCTUARDBXEG-UHFFFAOYSA-N -1 0 536.585 4.208 50 10 KICARM COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccc(OC)cc5)ccc4n3)CC2)cc1 ZINC000102314117 554910565 /nfs/dbraw/zinc/91/05/65/554910565.db2.gz PVAJLBPMIONIAF-UHFFFAOYSA-N -1 0 548.621 4.078 50 10 KICARM COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5cccc(F)c5)ccc4n3)CC2)cc1 ZINC000102314545 554910744 /nfs/dbraw/zinc/91/07/44/554910744.db2.gz KRPACWUXXVQKMI-UHFFFAOYSA-N -1 0 536.585 4.208 50 10 KICARM COc1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccccc5C)ccc4n3)CC2)cc1 ZINC000102314608 554911114 /nfs/dbraw/zinc/91/11/14/554911114.db2.gz PLHBNYLCRKBSAR-UHFFFAOYSA-N -1 0 532.622 4.377 50 10 KICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000102452458 554932935 /nfs/dbraw/zinc/93/29/35/554932935.db2.gz VAEMWYNJPPTXLO-FYJGNVAPSA-N -1 0 576.428 4.085 50 10 KICARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)cc2)nn1 ZINC000102579615 554972016 /nfs/dbraw/zinc/97/20/16/554972016.db2.gz GNSDQDOHIGGKQI-RGEXLXHISA-N -1 0 590.108 4.169 50 10 KICARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732190 555024130 /nfs/dbraw/zinc/02/41/30/555024130.db2.gz SEKXHFOHRWWZLY-PCCBWWKXSA-N -1 0 510.300 4.114 50 10 KICARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC ZINC000102756776 555049749 /nfs/dbraw/zinc/04/97/49/555049749.db2.gz NTHYFDFNLKDIOC-UHFFFAOYSA-N -1 0 540.686 4.384 50 10 KICARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000102925329 555149774 /nfs/dbraw/zinc/14/97/74/555149774.db2.gz QPTMTMRZFGMBLV-KRWDZBQOSA-N -1 0 569.595 4.029 50 10 KICARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(N)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000102925333 555149736 /nfs/dbraw/zinc/14/97/36/555149736.db2.gz QPTMTMRZFGMBLV-QGZVFWFLSA-N -1 0 569.595 4.029 50 10 KICARM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000102929474 555155316 /nfs/dbraw/zinc/15/53/16/555155316.db2.gz NZSGZEDSCFJXII-UHFFFAOYSA-N -1 0 524.982 4.248 50 10 KICARM CCCCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000103128583 555296785 /nfs/dbraw/zinc/29/67/85/555296785.db2.gz ANTXHJKQHYHQFI-BOPFTXTBSA-N -1 0 534.350 4.454 50 10 KICARM O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cl ZINC000103247606 555343679 /nfs/dbraw/zinc/34/36/79/555343679.db2.gz VELYBJMVDULBAO-UDWIEESQSA-N -1 0 535.343 4.368 50 10 KICARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000103255444 555345431 /nfs/dbraw/zinc/34/54/31/555345431.db2.gz BQFGMSOEVZXLQY-DEDYPNTBSA-N -1 0 531.377 4.373 50 10 KICARM CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000103704629 555464090 /nfs/dbraw/zinc/46/40/90/555464090.db2.gz DJWJJTVHZRWGMS-OVCLIPMQSA-N -1 0 521.751 4.019 50 10 KICARM CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849767 571364076 /nfs/dbraw/zinc/36/40/76/571364076.db2.gz FDIBJYGNCBKAJR-GFQQVXNGSA-N -1 0 554.381 4.448 50 10 KICARM CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849769 571364329 /nfs/dbraw/zinc/36/43/29/571364329.db2.gz FDIBJYGNCBKAJR-RGZVIEDOSA-N -1 0 554.381 4.448 50 10 KICARM O=C1c2ccccc2C(=O)N1Cc1cc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cl ZINC000103861446 571367574 /nfs/dbraw/zinc/36/75/74/571367574.db2.gz ZOUNHZKYWFQBES-UDWIEESQSA-N -1 0 535.343 4.368 50 10 KICARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 ZINC000103861448 571367530 /nfs/dbraw/zinc/36/75/30/571367530.db2.gz IVXUKXVOMKSHNJ-FYJGNVAPSA-N -1 0 514.925 4.023 50 10 KICARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OC ZINC000104024821 571371342 /nfs/dbraw/zinc/37/13/42/571371342.db2.gz XEXSVARXTKMXII-VGOFMYFVSA-N -1 0 542.782 4.183 50 10 KICARM CCN(C(=O)CN1C(=O)/C(=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)c2ccccc21)c1ccccc1 ZINC000105965239 571409623 /nfs/dbraw/zinc/40/96/23/571409623.db2.gz UPBVCSGZMLGYIT-QURGRASLSA-N -1 0 548.671 4.064 50 10 KICARM CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000107061401 571419647 /nfs/dbraw/zinc/41/96/47/571419647.db2.gz XUUGSURDDRZWJO-WQLSENKSSA-N -1 0 526.714 4.018 50 10 KICARM O=C1C[C@@H](c2cc(Cl)cc3c2OCOC3)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108448004 571424028 /nfs/dbraw/zinc/42/40/28/571424028.db2.gz MFKONQFDLJACHR-ZDUSSCGKSA-N -1 0 524.865 4.243 50 10 biogenic KICARM O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108448007 571424019 /nfs/dbraw/zinc/42/40/19/571424019.db2.gz MFKONQFDLJACHR-CYBMUJFWSA-N -1 0 524.865 4.243 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])c(O)c(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000108448088 571424117 /nfs/dbraw/zinc/42/41/17/571424117.db2.gz TYCOEQFOQHAEHX-SFHVURJKSA-N -1 0 543.528 4.132 50 10 biogenic KICARM COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])c(O)c(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000108448090 571424096 /nfs/dbraw/zinc/42/40/96/571424096.db2.gz TYCOEQFOQHAEHX-GOSISDBHSA-N -1 0 543.528 4.132 50 10 biogenic KICARM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000108448927 571424523 /nfs/dbraw/zinc/42/45/23/571424523.db2.gz SHZQXCLLKGJJEF-DEOSSOPVSA-N -1 0 581.625 4.280 50 10 biogenic KICARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCc1ccccc1 ZINC000108448930 571424482 /nfs/dbraw/zinc/42/44/82/571424482.db2.gz SHZQXCLLKGJJEF-XMMPIXPASA-N -1 0 581.625 4.280 50 10 biogenic KICARM COC(=O)C[C@H](c1cc(Br)cc2c1OCOC2)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449281 571424642 /nfs/dbraw/zinc/42/46/42/571424642.db2.gz YOOQDWZLYWEYTA-CQSZACIVSA-N -1 0 601.358 4.312 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc(Br)cc2c1OCOC2)c1c(=O)cc([O-])c2c(O)c(O)c(-c3ccc(O)c(O)c3)oc1-2 ZINC000108449284 571424737 /nfs/dbraw/zinc/42/47/37/571424737.db2.gz YOOQDWZLYWEYTA-AWEZNQCLSA-N -1 0 601.358 4.312 50 10 biogenic KICARM O=C1C[C@@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108449371 571424751 /nfs/dbraw/zinc/42/47/51/571424751.db2.gz FXSKEQJUZIGCJU-LBPRGKRZSA-N -1 0 534.860 4.483 50 10 biogenic KICARM O=C1C[C@H](c2coc3ccc(Cl)cc3c2=O)c2c(cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc32)O1 ZINC000108449373 571424697 /nfs/dbraw/zinc/42/46/97/571424697.db2.gz FXSKEQJUZIGCJU-GFCCVEGCSA-N -1 0 534.860 4.483 50 10 biogenic KICARM COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450038 571424969 /nfs/dbraw/zinc/42/49/69/571424969.db2.gz DVXMNYBYTPCUMQ-QGZVFWFLSA-N -1 0 529.501 4.122 50 10 biogenic KICARM COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450040 571424990 /nfs/dbraw/zinc/42/49/90/571424990.db2.gz DVXMNYBYTPCUMQ-KRWDZBQOSA-N -1 0 529.501 4.122 50 10 biogenic KICARM COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000108451102 571425434 /nfs/dbraw/zinc/42/54/34/571425434.db2.gz HIANPAZSKGGMNW-VWLOTQADSA-N -1 0 595.652 4.322 50 10 biogenic KICARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)ccc1OCCc1ccccc1 ZINC000108451105 571425676 /nfs/dbraw/zinc/42/56/76/571425676.db2.gz HIANPAZSKGGMNW-RUZDIDTESA-N -1 0 595.652 4.322 50 10 biogenic KICARM CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000108504636 571426027 /nfs/dbraw/zinc/42/60/27/571426027.db2.gz ZFVZREZXJSXUPD-NVMNQCDNSA-N -1 0 506.989 4.042 50 10 KICARM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000108629684 571426511 /nfs/dbraw/zinc/42/65/11/571426511.db2.gz WGPVAGWSQCENGR-JAIQZWGSSA-N -1 0 500.598 4.122 50 10 KICARM Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)N(c2cccc(C(=O)[O-])c2)N=C1C(F)(F)F ZINC000111850712 571433566 /nfs/dbraw/zinc/43/35/66/571433566.db2.gz ZLBFEEQLECJKOM-YBEGLDIGSA-N -1 0 505.412 4.420 50 10 KICARM O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000137029820 571450053 /nfs/dbraw/zinc/45/00/53/571450053.db2.gz ZPDNSSLPYHVCDH-UYRXBGFRSA-N -1 0 589.518 4.485 50 10 KICARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3[O-])[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000137791178 571450720 /nfs/dbraw/zinc/45/07/20/571450720.db2.gz SEKXHFOHRWWZLY-PWRODBHTSA-N -1 0 510.300 4.114 50 10 KICARM CCn1c2ccc(S(=O)(=O)C(F)(F)F)cc2[n+](CCCS(=O)(=O)[O-])c1/C=C/C=C1\N(CC)c2ccc(S(=O)(=O)C(F)(F)F)cc2N1CCCS(=O)(=O)[O-] ZINC000150386524 571469288 /nfs/dbraw/zinc/46/92/88/571469288.db2.gz LNPIDQWRMIFVOH-UHFFFAOYSA-O -1 0 839.857 4.293 50 10 KICARM CN1c2ccccc2/C(=C2/SC(=S)N(CCCC[C@@H](C(=O)[O-])N3C(=O)/C(=C4\c5ccccc5N(C)C4=O)SC3=S)C2=O)C1=O ZINC000150431156 571493532 /nfs/dbraw/zinc/49/35/32/571493532.db2.gz LEJRFCJLDRELSS-WQFDSCPHSA-N -1 0 664.812 4.106 50 10 KICARM CN1c2ccccc2/C(=C2/SC(=S)N(CCCC[C@H](C(=O)[O-])N3C(=O)/C(=C4\c5ccccc5N(C)C4=O)SC3=S)C2=O)C1=O ZINC000150431164 571493534 /nfs/dbraw/zinc/49/35/34/571493534.db2.gz LEJRFCJLDRELSS-KPMVCFIMSA-N -1 0 664.812 4.106 50 10 KICARM CCOC(=O)C(=C([O-])C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000150670302 571528780 /nfs/dbraw/zinc/52/87/80/571528780.db2.gz DKYPNRIAYRRYDA-IBGZPJMESA-N -1 0 624.350 4.006 50 10 KICARM CCOC(=O)C(=C([O-])C(=O)Nc1c(F)cc(F)cc1Br)c1nc2ccc3c(c2[nH]c1=O)C(=O)c1ccccc1C3=O ZINC000150670303 571528729 /nfs/dbraw/zinc/52/87/29/571528729.db2.gz DKYPNRIAYRRYDA-LJQANCHMSA-N -1 0 624.350 4.006 50 10 KICARM CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000169712766 571559160 /nfs/dbraw/zinc/55/91/60/571559160.db2.gz XRGPWTFBQSRQLZ-ZQAYVECASA-N -1 0 566.246 4.237 50 10 KICARM CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)[C@@H]1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000198686329 571568000 /nfs/dbraw/zinc/56/80/00/571568000.db2.gz SSEDEHZVBQTFEO-VWLOTQADSA-N -1 0 506.628 4.236 50 10 KICARM COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(=O)nc3ccccn3c2[O-])ccc1OCc1ccccc1 ZINC000206058916 571572401 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ZINC000217604252 571601776 /nfs/dbraw/zinc/60/17/76/571601776.db2.gz GYEBNWWGBNXYHW-MHZLTWQESA-N -1 0 595.652 4.322 50 10 KICARM COc1ccc(CCOc2ccc([C@@H](CC(=O)NCCc3ccc(O)c(O)c3)c3c([O-])nc4ccccn4c3=O)cc2)cc1 ZINC000217604325 571601811 /nfs/dbraw/zinc/60/18/11/571601811.db2.gz GYEBNWWGBNXYHW-HHHXNRCGSA-N -1 0 595.652 4.322 50 10 KICARM O=C(C[C@H](c1cc(F)c(F)c(F)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217607041 571601746 /nfs/dbraw/zinc/60/17/46/571601746.db2.gz SSLMXOZICQQYOO-MRXNPFEDSA-N -1 0 541.478 4.375 50 10 KICARM O=C(C[C@@H](c1cc(F)c(F)c(F)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217607116 571601800 /nfs/dbraw/zinc/60/18/00/571601800.db2.gz SSLMXOZICQQYOO-INIZCTEOSA-N -1 0 541.478 4.375 50 10 KICARM O=C(C[C@H](c1ccc(F)c(F)c1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)N1CCOCC1 ZINC000217649083 571601970 /nfs/dbraw/zinc/60/19/70/571601970.db2.gz TYDYARHPNDZOJZ-QGZVFWFLSA-N -1 0 523.488 4.236 50 10 KICARM 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