smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CCN2Cc2ccncc2)Oc2ccc([O-])c1c2 ZINC000952858820 1071297535 /nfs/dbraw/zinc/29/75/35/1071297535.db2.gz HBJQKIKAVCWJGT-PMERELPUSA-N -1 3 507.590 5.240 50 0 KKAAHM CCOC(=O)c1c(NC(=O)OCC2c3ccccc3-c3ccccc32)sc(C(=O)[O-])c1CNC(C)(C)C ZINC000958528116 1072834090 /nfs/dbraw/zinc/83/40/90/1072834090.db2.gz WBANKLXIHCCXSK-UHFFFAOYSA-N -1 3 522.623 5.872 50 0 KKAAHM O=C(NN=Cc1cc(Br)ccc1[O-])c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 ZINC000254735402 1072873552 /nfs/dbraw/zinc/87/35/52/1072873552.db2.gz BOVPDHGBYVFHFU-UHFFFAOYSA-N -1 3 525.790 5.541 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1 ZINC000150414975 1072902342 /nfs/dbraw/zinc/90/23/42/1072902342.db2.gz LLXSSIRDJCNKCV-UHFFFAOYSA-N -1 3 656.829 8.268 50 0 KKAAHM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)cc2)cc1 ZINC000108449749 193924992 /nfs/dbraw/zinc/92/49/92/193924992.db2.gz OYGVCYVCJOHLSB-HHHXNRCGSA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c(C)c1 ZINC000000673762 551520309 /nfs/dbraw/zinc/52/03/09/551520309.db2.gz KDDGUJTUESFSTF-UHFFFAOYSA-N -1 3 520.392 5.270 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000000673817 551520318 /nfs/dbraw/zinc/52/03/18/551520318.db2.gz UHGVVWMRNGSEGX-KRWDZBQOSA-N -1 3 507.439 6.125 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000000673814 551520401 /nfs/dbraw/zinc/52/04/01/551520401.db2.gz UHGVVWMRNGSEGX-QGZVFWFLSA-N -1 3 507.439 6.125 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)c(C)c1 ZINC000000676618 551522112 /nfs/dbraw/zinc/52/21/12/551522112.db2.gz SGYLAXIMQVRXIM-UHFFFAOYSA-N -1 3 523.836 5.538 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827056 551545234 /nfs/dbraw/zinc/54/52/34/551545234.db2.gz PDUIDQFKBJXAGX-UHFFFAOYSA-N -1 3 517.714 5.850 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000001274147 551635424 /nfs/dbraw/zinc/63/54/24/551635424.db2.gz BBOHAIIIDKKKOY-FCEKVYKBSA-N -1 3 556.521 5.244 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404633 551661696 /nfs/dbraw/zinc/66/16/96/551661696.db2.gz XXUNLIARTXNKPG-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404633 551661698 /nfs/dbraw/zinc/66/16/98/551661698.db2.gz XXUNLIARTXNKPG-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM O=c1[n-]c(CSc2nc3ccccc3c(=O)n2-c2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000001789604 551701296 /nfs/dbraw/zinc/70/12/96/551701296.db2.gz WTWPOOORTLJQCD-UHFFFAOYSA-N -1 3 532.669 6.186 50 0 KKAAHM COc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000001835310 551712113 /nfs/dbraw/zinc/71/21/13/551712113.db2.gz AMPAAIIYUCLXKS-UHFFFAOYSA-N -1 3 548.668 5.805 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000001890283 551726310 /nfs/dbraw/zinc/72/63/10/551726310.db2.gz LTTLZXONYUPTKE-OVDFTCDZSA-N -1 3 571.485 6.911 50 0 KKAAHM O=C1Nc2ccc(Br)cc2[C@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3)nc1O2 ZINC000002073741 551748267 /nfs/dbraw/zinc/74/82/67/551748267.db2.gz CPQNTNWKLIMDKN-XMMPIXPASA-N -1 3 518.396 5.203 50 0 KKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002088176 551757546 /nfs/dbraw/zinc/75/75/46/551757546.db2.gz BBQMEUPTVGMBQI-UHFFFAOYSA-N -1 3 516.402 7.323 50 0 KKAAHM CCCc1ccc(-c2c(C)sc([N-]C(=O)c3c(C)onc3-c3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000002090895 551758692 /nfs/dbraw/zinc/75/86/92/551758692.db2.gz UQANLSFNKKHLTH-UHFFFAOYSA-N -1 3 502.636 7.457 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C)C2 ZINC000002092750 551759271 /nfs/dbraw/zinc/75/92/71/551759271.db2.gz XPWLXTBLYSHRET-GFCCVEGCSA-N -1 3 593.425 6.403 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C)C2 ZINC000002092748 551759307 /nfs/dbraw/zinc/75/93/07/551759307.db2.gz XPWLXTBLYSHRET-LBPRGKRZSA-N -1 3 593.425 6.403 50 0 KKAAHM CCCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002108907 551766612 /nfs/dbraw/zinc/76/66/12/551766612.db2.gz GEQJRLVDIROZHI-UHFFFAOYSA-N -1 3 528.537 5.310 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccccc1)(C(=O)OC)C(F)(F)F ZINC000002191920 551790323 /nfs/dbraw/zinc/79/03/23/551790323.db2.gz RZBXXUSVPSSUKZ-DEOSSOPVSA-N -1 3 520.529 5.174 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@@H](C)C2 ZINC000002236710 552082925 /nfs/dbraw/zinc/08/29/25/552082925.db2.gz QHNXRBIMXDGBKE-GFCCVEGCSA-N -1 3 548.974 6.294 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000002404302 552111999 /nfs/dbraw/zinc/11/19/99/552111999.db2.gz HXSMBWAGYBRALD-DSNGMDLFSA-N -1 3 549.808 6.414 50 0 KKAAHM CCCCc1cc(=O)oc2cc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002447828 552122087 /nfs/dbraw/zinc/12/20/87/552122087.db2.gz HNPGWWTUEHHVQG-HHHXNRCGSA-N -1 3 540.037 5.723 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002593452 552133496 /nfs/dbraw/zinc/13/34/96/552133496.db2.gz JSTBIZGEHTYPEI-GMQQYTKMSA-N -1 3 595.460 5.812 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000002594300 552133998 /nfs/dbraw/zinc/13/39/98/552133998.db2.gz UQGXJZXTNSJLMB-WCQYABFASA-N -1 3 591.033 6.234 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(N)=O)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000002643895 552144003 /nfs/dbraw/zinc/14/40/03/552144003.db2.gz HMPVWPIIWUNFPE-KRWDZBQOSA-N -1 3 536.123 5.364 50 0 KKAAHM Cc1cc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000002645402 552144653 /nfs/dbraw/zinc/14/46/53/552144653.db2.gz GGMWWVXNMWOZBB-KRWDZBQOSA-N -1 3 510.616 5.654 50 0 KKAAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)c(C(=O)OC)c1C ZINC000002743274 552172251 /nfs/dbraw/zinc/17/22/51/552172251.db2.gz PATHBPRHLOJEKI-UHFFFAOYSA-N -1 3 560.497 5.445 50 0 KKAAHM Cc1cc(C(F)(F)F)nc2sc3c(c21)N[C@H](c1cc(Br)c(Br)s1)[N-]C3=O ZINC000002747783 552174797 /nfs/dbraw/zinc/17/47/97/552174797.db2.gz UEWNNJBEUDLPLU-LBPRGKRZSA-N -1 3 527.185 6.064 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(Br)cc3Cl)cc2)cc1 ZINC000002858841 552203155 /nfs/dbraw/zinc/20/31/55/552203155.db2.gz CXPMIYAELWDLCV-UHFFFAOYSA-N -1 3 526.865 5.721 50 0 KKAAHM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003021966 552264052 /nfs/dbraw/zinc/26/40/52/552264052.db2.gz PNEJYYJWUZTVQU-UHFFFAOYSA-N -1 3 522.212 6.170 50 0 KKAAHM Cc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)n(-c2ccccc2)n1 ZINC000003199569 552303828 /nfs/dbraw/zinc/30/38/28/552303828.db2.gz XIFGYOSWESNADH-UHFFFAOYSA-N -1 3 534.947 5.906 50 0 KKAAHM O=C(NCc1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003223179 552311440 /nfs/dbraw/zinc/31/14/40/552311440.db2.gz XZFMDIGKLLLLBW-UHFFFAOYSA-N -1 3 537.774 6.396 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2sc3c(c2Cl)c(-c2ccccc2)nn3-c2ccccc2)nc1-c1ccccc1 ZINC000003229570 552314816 /nfs/dbraw/zinc/31/48/16/552314816.db2.gz HOFQNSXOEVLEPF-UHFFFAOYSA-N -1 3 585.110 7.960 50 0 KKAAHM Cc1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2-c2ccccc2)c1 ZINC000003257805 552324556 /nfs/dbraw/zinc/32/45/56/552324556.db2.gz SMXNGISOJUCELE-UHFFFAOYSA-N -1 3 590.130 6.428 50 0 KKAAHM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN(CCc3ccccc3)Cc3ccccc3)c2c1 ZINC000003268748 552330994 /nfs/dbraw/zinc/33/09/94/552330994.db2.gz UIFPRCLGEHMGQD-UHFFFAOYSA-N -1 3 559.713 6.476 50 0 KKAAHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003296299 552343271 /nfs/dbraw/zinc/34/32/71/552343271.db2.gz ITSSTXBISNBJHS-NSHDSACASA-N -1 3 596.798 6.045 50 0 KKAAHM O=c1nc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)[n-]c2scc(-c3ccccc3)c21 ZINC000003310877 552351735 /nfs/dbraw/zinc/35/17/35/552351735.db2.gz KEVDLOKJWVNAOX-UHFFFAOYSA-N -1 3 519.721 6.693 50 0 KKAAHM CCOC(=O)c1cc(CC)sc1[N-]c1nc2ccccc2nc1Sc1nnnn1-c1ccccc1 ZINC000003340052 552362463 /nfs/dbraw/zinc/36/24/63/552362463.db2.gz QYBHSJZPKLRXKZ-UHFFFAOYSA-N -1 3 503.613 5.301 50 0 KKAAHM COC(=O)c1ccc(CSc2nnc([N-]C(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)s2)cc1 ZINC000003375456 552376023 /nfs/dbraw/zinc/37/60/23/552376023.db2.gz QJNOHGZZUKRTRF-UHFFFAOYSA-N -1 3 519.526 6.148 50 0 KKAAHM COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c1)oc1ccccc12 ZINC000003400109 552380505 /nfs/dbraw/zinc/38/05/05/552380505.db2.gz KYIUJSGIJXTSTE-MRXNPFEDSA-N -1 3 597.020 6.372 50 0 KKAAHM O=S(=O)([N-]c1ccc(Nc2ncnc3sc(-c4ccccc4)cc32)cc1)c1ccc2c(c1)OCCCO2 ZINC000003418615 552383367 /nfs/dbraw/zinc/38/33/67/552383367.db2.gz BYINECWIUZNYFJ-UHFFFAOYSA-N -1 3 530.631 6.064 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656026 552404294 /nfs/dbraw/zinc/40/42/94/552404294.db2.gz HRHZENYWDVSLKV-OAQYLSRUSA-N -1 3 510.315 5.154 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc([N-]S(C)(=O)=O)c(O)c2)c(C(C)(C)CC)c1 ZINC000003991722 552424893 /nfs/dbraw/zinc/42/48/93/552424893.db2.gz STYVWTNHDLJSOU-UHFFFAOYSA-N -1 3 504.693 5.937 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(Nc3cc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[n-]3)c2)c(C(C)(C)CC)c1 ZINC000004014669 552426261 /nfs/dbraw/zinc/42/62/61/552426261.db2.gz CRTYZJGIQMGJNW-UHFFFAOYSA-N -1 3 706.542 10.635 50 0 KKAAHM CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000004016065 552427022 /nfs/dbraw/zinc/42/70/22/552427022.db2.gz JYZJNNIVCUPCPJ-MUUNZHRXSA-N -1 3 580.169 8.861 50 0 KKAAHM CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c([O-])c2c1 ZINC000004662733 552471371 /nfs/dbraw/zinc/47/13/71/552471371.db2.gz NLZALTRHYAUBFQ-UHFFFAOYSA-N -1 3 583.685 5.768 50 0 KKAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000006146557 552548274 /nfs/dbraw/zinc/54/82/74/552548274.db2.gz YTIIXWBFGPTSOJ-UHFFFAOYSA-N -1 3 505.684 5.115 50 0 KKAAHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000006147327 552548897 /nfs/dbraw/zinc/54/88/97/552548897.db2.gz MLDKCYJBZTZIBQ-UHFFFAOYSA-N -1 3 537.428 6.590 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)CCC2 ZINC000006599739 552601574 /nfs/dbraw/zinc/60/15/74/552601574.db2.gz MJIGZCQJVRJNFM-UHFFFAOYSA-N -1 3 540.976 6.109 50 0 KKAAHM CCOc1ccc(OC)cc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1[N-]C(=O)c1ccccc1OCc1ccccc1 ZINC000008432692 553026973 /nfs/dbraw/zinc/02/69/73/553026973.db2.gz BJFNCYRVJHKUKQ-GDLZYMKVSA-N -1 3 602.485 6.347 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)c(C(=O)OCC)c1C ZINC000008435453 553030601 /nfs/dbraw/zinc/03/06/01/553030601.db2.gz XRCMJPZPCPBDOU-UHFFFAOYSA-N -1 3 625.423 6.153 50 0 KKAAHM CCOC(=O)[C@]([O-])(c1ccc(N[C@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)cc1)C(F)(F)F ZINC000008445372 553054180 /nfs/dbraw/zinc/05/41/80/553054180.db2.gz LZOIJUUKBCQVDS-RBBKRZOGSA-N -1 3 519.453 5.385 50 0 KKAAHM Cc1c(C(=O)OC(C)C)sc([N-]C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1C(=O)OC(C)C ZINC000008454338 553068353 /nfs/dbraw/zinc/06/83/53/553068353.db2.gz YKOVPGHOLPIZFF-UHFFFAOYSA-N -1 3 554.448 6.918 50 0 KKAAHM COCCn1c(SCc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[n-]2)nnc1-c1cccc(C)c1 ZINC000008692499 553118187 /nfs/dbraw/zinc/11/81/87/553118187.db2.gz ITKLRJPISSMQRS-UHFFFAOYSA-N -1 3 524.071 6.223 50 0 KKAAHM Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009192355 553218789 /nfs/dbraw/zinc/21/87/89/553218789.db2.gz UUMXHPANVFUVOF-UHFFFAOYSA-N -1 3 503.967 6.549 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000009233339 553224347 /nfs/dbraw/zinc/22/43/47/553224347.db2.gz BCYOQQQEXVDGOO-LZYBPNLTSA-N -1 3 503.201 6.097 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2cccc(O)c2)cc1OC ZINC000009242785 553226614 /nfs/dbraw/zinc/22/66/14/553226614.db2.gz JHZGQGXMCPKTJV-MHZLTWQESA-N -1 3 519.985 5.255 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000009243052 553226837 /nfs/dbraw/zinc/22/68/37/553226837.db2.gz ROGWDQCDKHTYFP-MUUNZHRXSA-N -1 3 518.013 5.858 50 0 KKAAHM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000009271942 553231258 /nfs/dbraw/zinc/23/12/58/553231258.db2.gz OMRBQRGIOUFECS-UHFFFAOYSA-N -1 3 505.640 5.251 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)ccc1OCCC(C)C ZINC000009293112 553235322 /nfs/dbraw/zinc/23/53/22/553235322.db2.gz HHMQVOSGEZSVPL-AREMUKBSSA-N -1 3 514.022 5.105 50 0 KKAAHM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000009445248 553265050 /nfs/dbraw/zinc/26/50/50/553265050.db2.gz XCBNQNBLPMOONG-KRWDZBQOSA-N -1 3 507.637 5.484 50 0 KKAAHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000009559594 553280102 /nfs/dbraw/zinc/28/01/02/553280102.db2.gz NEQLONJDQWWJOX-QGZVFWFLSA-N -1 3 513.866 5.001 50 0 KKAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000009572526 553281387 /nfs/dbraw/zinc/28/13/87/553281387.db2.gz XLZXTHPVFYKJPN-UHFFFAOYSA-N -1 3 503.628 5.968 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679230 553296080 /nfs/dbraw/zinc/29/60/80/553296080.db2.gz AHTUUZZUFCMWOK-XMMPIXPASA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679230 553296081 /nfs/dbraw/zinc/29/60/81/553296081.db2.gz AHTUUZZUFCMWOK-XMMPIXPASA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679427 553296254 /nfs/dbraw/zinc/29/62/54/553296254.db2.gz AEKVUQJTZUIHFH-GDLZYMKVSA-N -1 3 509.606 6.525 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679427 553296256 /nfs/dbraw/zinc/29/62/56/553296256.db2.gz AEKVUQJTZUIHFH-GDLZYMKVSA-N -1 3 509.606 6.525 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679436 553296401 /nfs/dbraw/zinc/29/64/01/553296401.db2.gz JJIDUAUQXOGPJF-MHZLTWQESA-N -1 3 525.561 5.189 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679436 553296402 /nfs/dbraw/zinc/29/64/02/553296402.db2.gz JJIDUAUQXOGPJF-MHZLTWQESA-N -1 3 525.561 5.189 50 0 KKAAHM CCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]CC34CC5CC(CC(C5)C3)C4)c(Cl)cc2Cl)cc1 ZINC000012413396 553364549 /nfs/dbraw/zinc/36/45/49/553364549.db2.gz SJCHBBVAQVZTID-UHFFFAOYSA-N -1 3 521.510 6.303 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1 ZINC000012528711 553384679 /nfs/dbraw/zinc/38/46/79/553384679.db2.gz SPCWCFZASUHSHX-UHFFFAOYSA-N -1 3 510.685 5.522 50 0 aggregator KKAAHM Cc1ccc(OCc2nc(SCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)n[n-]2)cc1 ZINC000012541572 553389640 /nfs/dbraw/zinc/38/96/40/553389640.db2.gz DZCDCBLBZJZSLX-OAQYLSRUSA-N -1 3 508.003 5.409 50 0 KKAAHM O=C(C/C(=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1)[N-]C1=NCCS1 ZINC000012551251 553392920 /nfs/dbraw/zinc/39/29/20/553392920.db2.gz FUALNDYKSOXSGD-JXAWBTAJSA-N -1 3 506.052 6.892 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013777946 553490151 /nfs/dbraw/zinc/49/01/51/553490151.db2.gz HIOGIZPYTOEBLB-IARZGTGTSA-N -1 3 516.594 5.324 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013807281 553492050 /nfs/dbraw/zinc/49/20/50/553492050.db2.gz DZRIKHROLQXSLL-QHAWAJNXSA-N -1 3 507.295 6.063 50 0 KKAAHM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(Cl)c1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000014358646 553513204 /nfs/dbraw/zinc/51/32/04/553513204.db2.gz GZGZFCAWXPQKIP-JAIQZWGSSA-N -1 3 511.409 6.984 50 0 KKAAHM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)c([O-])c(OC)c2)N3)C1 ZINC000015945761 553544225 /nfs/dbraw/zinc/54/42/25/553544225.db2.gz BIRBGQHXKILTOM-HXPMCKFVSA-N -1 3 526.440 6.037 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000016000692 553549904 /nfs/dbraw/zinc/54/99/04/553549904.db2.gz WTVFNLGSSLDTBR-KCIBBDPESA-N -1 3 514.556 5.682 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016956868 553585189 /nfs/dbraw/zinc/58/51/89/553585189.db2.gz JWQHCZGQENDFJZ-QHCPKHFHSA-N -1 3 509.791 5.647 50 0 KKAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)c(C)cc1C ZINC000017042834 553587100 /nfs/dbraw/zinc/58/71/00/553587100.db2.gz ZUPOVCUGWHBFMM-UHFFFAOYSA-N -1 3 503.628 6.007 50 0 KKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C(C)C)ccc4C)cc3)n2)cc1 ZINC000017042846 553587145 /nfs/dbraw/zinc/58/71/45/553587145.db2.gz FNMJPVOAGQKMAP-UHFFFAOYSA-N -1 3 501.656 6.813 50 0 KKAAHM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000017137956 553588721 /nfs/dbraw/zinc/58/87/21/553588721.db2.gz FAAZKUDAEQHNRB-UHFFFAOYSA-N -1 3 515.679 5.658 50 0 KKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000017337621 553593627 /nfs/dbraw/zinc/59/36/27/553593627.db2.gz PBEXWGCHZSTBSH-UHFFFAOYSA-N -1 3 554.145 5.017 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000018117815 553605048 /nfs/dbraw/zinc/60/50/48/553605048.db2.gz WJBKNADKNWZSOA-CYXNTTPDSA-N -1 3 500.938 5.259 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC ZINC000079188329 553666636 /nfs/dbraw/zinc/66/66/36/553666636.db2.gz QMLCJALFRIQKMK-GKEJAMAUSA-N -1 3 538.593 5.341 50 0 KKAAHM COc1cc(OC)cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079188583 553666678 /nfs/dbraw/zinc/66/66/78/553666678.db2.gz NHAQHRLBIKEAKD-BJQUODFRSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079189874 553667683 /nfs/dbraw/zinc/66/76/83/553667683.db2.gz JYLKNBZEDARSHE-NAFZGJECSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1OCC(C)C ZINC000079189837 553667777 /nfs/dbraw/zinc/66/77/77/553667777.db2.gz VFBNSYXOFDDVHW-UENHJXRBSA-N -1 3 550.648 6.358 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC ZINC000079191322 553667995 /nfs/dbraw/zinc/66/79/95/553667995.db2.gz KWAZFLOXEMEBIS-WPEUEYHOSA-N -1 3 538.593 5.341 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1O ZINC000079191781 553668345 /nfs/dbraw/zinc/66/83/45/553668345.db2.gz WGJOSLQQHQYNBP-MZZIIXPISA-N -1 3 524.566 5.038 50 0 KKAAHM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079195789 553669336 /nfs/dbraw/zinc/66/93/36/553669336.db2.gz PPTKLYXZYIJXTH-HGALLEHASA-N -1 3 506.551 5.102 50 0 KKAAHM CC(C)Oc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079194261 553669346 /nfs/dbraw/zinc/66/93/46/553669346.db2.gz DMZDDSCHMGLEEG-XCESRKLTSA-N -1 3 506.595 6.102 50 0 KKAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(F)(F)F ZINC000079221075 553671520 /nfs/dbraw/zinc/67/15/20/553671520.db2.gz CWZAYZHRFRWXQC-KIJDHZKBSA-N -1 3 709.956 9.522 50 0 biogenic KKAAHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NCc3cccs3)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)C1 ZINC000020663631 553686130 /nfs/dbraw/zinc/68/61/30/553686130.db2.gz KVQKPHXROYGMOF-CALCHBBNSA-N -1 3 519.639 5.557 50 0 KKAAHM COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)c1 ZINC000085879815 553690052 /nfs/dbraw/zinc/69/00/52/553690052.db2.gz URAIEJCLWNUCPR-SAZIRKCDSA-N -1 3 630.646 6.148 50 0 KKAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000021526160 553710444 /nfs/dbraw/zinc/71/04/44/553710444.db2.gz PCUUTDNUAHUKRF-UHFFFAOYSA-N -1 3 508.953 5.144 50 0 KKAAHM C[C@@H](NC[C@@H](COCc1ccccc1)OC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000095742792 553712371 /nfs/dbraw/zinc/71/23/71/553712371.db2.gz SUUCTKJUWXMWND-ZGGPXQSASA-N -1 3 625.674 5.002 50 0 KKAAHM CC(C)(C)P(=NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)(N1CCCCCC1)N1CCCCCC1 ZINC000096022756 553722632 /nfs/dbraw/zinc/72/26/32/553722632.db2.gz XQJGCVNAZLJSEW-UHFFFAOYSA-N -1 3 624.257 8.419 50 0 KKAAHM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852782 553761925 /nfs/dbraw/zinc/76/19/25/553761925.db2.gz RFPFIBPOCAFCEZ-AREMUKBSSA-N -1 3 513.642 5.441 50 0 KKAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000097948535 553794656 /nfs/dbraw/zinc/79/46/56/553794656.db2.gz OBCLWJZSNLPRTG-UHFFFAOYSA-N -1 3 579.769 7.127 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000026688022 553820617 /nfs/dbraw/zinc/82/06/17/553820617.db2.gz WBCHABKBSCFDGA-UHFFFAOYSA-N -1 3 513.040 6.914 50 0 KKAAHM Cc1ccc2c(c1)[C@]1(C(=O)N2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000097955241 553830208 /nfs/dbraw/zinc/83/02/08/553830208.db2.gz YCCPIQFTOOLLBA-AHFVTIBXSA-N -1 3 532.427 5.316 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1 ZINC000033254928 553914264 /nfs/dbraw/zinc/91/42/64/553914264.db2.gz FAHGGJGKUJKIID-UHFFFAOYSA-N -1 3 520.014 5.665 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4cc(Br)cs4)cc3C(F)(F)F)c2Br)c(C(=O)OCC)c1C ZINC000033353161 553923448 /nfs/dbraw/zinc/92/34/48/553923448.db2.gz CADONPJVFFBXGQ-UHFFFAOYSA-N -1 3 710.348 6.977 50 0 KKAAHM CCc1cc2c(CSC3=N/C(=C\c4ccco4)C(=O)N3c3ccc(OC(F)F)cc3)cc(=O)oc2cc1[O-] ZINC000097979155 553976957 /nfs/dbraw/zinc/97/69/57/553976957.db2.gz UFPPFRKPSUYCGB-MTJSOVHGSA-N -1 3 538.528 5.933 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000097986456 554024394 /nfs/dbraw/zinc/02/43/94/554024394.db2.gz JKBGJHNTTIDYDC-WXFUMESZSA-N -1 3 571.482 6.080 50 0 KKAAHM COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000097987858 554027558 /nfs/dbraw/zinc/02/75/58/554027558.db2.gz RAYAEVOPFQHHKJ-HHHXNRCGSA-N -1 3 571.703 5.019 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cc(Br)ccc3Cl)co2)s1)c1cccs1 ZINC000097990887 554029749 /nfs/dbraw/zinc/02/97/49/554029749.db2.gz LGHRSEVMEPTWAF-UHFFFAOYSA-N -1 3 584.882 5.733 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)c(C(=O)OCC)c1C ZINC000098002701 554054160 /nfs/dbraw/zinc/05/41/60/554054160.db2.gz YJUORQQZUURAKW-UHFFFAOYSA-N -1 3 694.280 6.509 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000035843224 554081543 /nfs/dbraw/zinc/08/15/43/554081543.db2.gz YBBWWYMELMAGHI-ACIRYHQQSA-N -1 3 508.593 5.723 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(OCC(=O)NCCOC)c3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000098050365 554174377 /nfs/dbraw/zinc/17/43/77/554174377.db2.gz YFBSDLGTMDXNPL-UHFFFAOYSA-N -1 3 606.804 6.651 50 0 KKAAHM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000100025028 554183323 /nfs/dbraw/zinc/18/33/23/554183323.db2.gz DPDIUKPMHPUMNQ-UHFFFAOYSA-N -1 3 528.453 5.875 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065348 554199559 /nfs/dbraw/zinc/19/95/59/554199559.db2.gz ONYKOVWHVPMPEP-XCZPVHLTSA-N -1 3 565.501 5.494 50 0 KKAAHM Cc1ccccc1OC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1)CC(C)C ZINC000036207762 554202761 /nfs/dbraw/zinc/20/27/61/554202761.db2.gz ZPILKFMJHRQWNH-NRFANRHFSA-N -1 3 512.075 5.511 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(F)c(Br)c1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000100255911 554264431 /nfs/dbraw/zinc/26/44/31/554264431.db2.gz SQYJXKIAMNSHAS-INIZCTEOSA-N -1 3 527.795 5.888 50 0 KKAAHM Cc1cc(Br)ccc1NC(=O)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000059514070 554401196 /nfs/dbraw/zinc/40/11/96/554401196.db2.gz BZCHTRJLHPPLRC-UHFFFAOYSA-N -1 3 550.338 5.305 50 0 KKAAHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cccc4C)cc3)cc2)cc1 ZINC000059616862 554412907 /nfs/dbraw/zinc/41/29/07/554412907.db2.gz UIEXYXKSWNPWOR-UHFFFAOYSA-N -1 3 579.700 5.190 50 0 KKAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000100821367 554480666 /nfs/dbraw/zinc/48/06/66/554480666.db2.gz JKQIZADAYPLESJ-JOCHJYFZSA-N -1 3 544.637 5.088 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000100821356 554480715 /nfs/dbraw/zinc/48/07/15/554480715.db2.gz XGFKWEZLHTYHOC-QHCPKHFHSA-N -1 3 540.674 5.257 50 0 KKAAHM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C ZINC000065749015 554527580 /nfs/dbraw/zinc/52/75/80/554527580.db2.gz VXKKFWDUSKMRNO-LJAQVGFWSA-N -1 3 525.653 5.821 50 0 in-vitro KKAAHM CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C ZINC000065749015 554527576 /nfs/dbraw/zinc/52/75/76/554527576.db2.gz VXKKFWDUSKMRNO-LJAQVGFWSA-N -1 3 525.653 5.821 50 0 in-vitro KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)n2)cc1 ZINC000100957652 554540616 /nfs/dbraw/zinc/54/06/16/554540616.db2.gz RPIMYAZXCGVYPI-UHFFFAOYSA-N -1 3 540.443 5.844 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000101075953 554577483 /nfs/dbraw/zinc/57/74/83/554577483.db2.gz WFEJDWMJQSCMGU-KWXIBIRDSA-N -1 3 605.466 5.268 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101117407 554643403 /nfs/dbraw/zinc/64/34/03/554643403.db2.gz GQOFGXQIZIXTCU-UUQNIDNHSA-N -1 3 511.581 5.246 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101168880 554661298 /nfs/dbraw/zinc/66/12/98/554661298.db2.gz YOUZGMQPDKYUSK-NLDZOOGBSA-N -1 3 530.621 5.714 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101204142 554674018 /nfs/dbraw/zinc/67/40/18/554674018.db2.gz PYKBDSGRJSXQIY-VSKRKVRLSA-N -1 3 513.775 5.162 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101206473 554676129 /nfs/dbraw/zinc/67/61/29/554676129.db2.gz HFRUBRGONLVFPZ-ZXFZPVEDSA-N -1 3 539.635 5.945 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101210722 554679331 /nfs/dbraw/zinc/67/93/31/554679331.db2.gz AMHLAVZLNYUKGP-KALPRAJFSA-N -1 3 537.830 6.209 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101240176 554693153 /nfs/dbraw/zinc/69/31/53/554693153.db2.gz HLOTYTHFZXMWAA-CYXNTTPDSA-N -1 3 529.390 5.662 50 0 KKAAHM COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000101361951 554743230 /nfs/dbraw/zinc/74/32/30/554743230.db2.gz HIFDENRBIVFYEH-MUUNZHRXSA-N -1 3 552.590 7.106 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672482 554826123 /nfs/dbraw/zinc/82/61/23/554826123.db2.gz HXMUMYVNZGBUIT-NLDZOOGBSA-N -1 3 585.454 6.088 50 0 KKAAHM CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[N-]c3c(F)c(F)cc(F)c3F)cnn2-c2cccc(F)c2)CC1 ZINC000102132753 554886834 /nfs/dbraw/zinc/88/68/34/554886834.db2.gz FISGTBXIVMQPBD-UHFFFAOYSA-N -1 3 536.501 5.935 50 0 KKAAHM Cc1ccc(NC(=O)c2c(N)c(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)sc2NCc2ccco2)c(C)c1 ZINC000102199438 554895550 /nfs/dbraw/zinc/89/55/50/554895550.db2.gz LHKSAROBTGBFEV-QFIPXVFZSA-N -1 3 550.509 5.306 50 0 KKAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)cc5C)cc4)cn3)n2)cc1OC ZINC000102278418 554906509 /nfs/dbraw/zinc/90/65/09/554906509.db2.gz QENDDOIBCKQBJL-UHFFFAOYSA-N -1 3 545.621 5.083 50 0 KKAAHM Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n([C@H](C)c3ccccc3)c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000102414174 554924343 /nfs/dbraw/zinc/92/43/43/554924343.db2.gz MNFNIHHTFKUQFN-LJQANCHMSA-N -1 3 615.509 6.943 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102555786 554964302 /nfs/dbraw/zinc/96/43/02/554964302.db2.gz HUFSSWPPXLWONS-JBOQNHBVSA-N -1 3 555.030 6.369 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102560810 554967873 /nfs/dbraw/zinc/96/78/73/554967873.db2.gz SGRUXFBROPZOQY-VJGNERBWSA-N -1 3 616.411 5.562 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000102700164 555012712 /nfs/dbraw/zinc/01/27/12/555012712.db2.gz NEMBOBNBVLRYLS-SANMLTNESA-N -1 3 562.717 6.242 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000102738963 555027624 /nfs/dbraw/zinc/02/76/24/555027624.db2.gz HXSMBWAGYBRALD-CCDWMCETSA-N -1 3 549.808 6.414 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102742761 555032564 /nfs/dbraw/zinc/03/25/64/555032564.db2.gz CFJLSOMVIOXMQA-JCYYIGJDSA-N -1 3 538.531 5.105 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000102744099 555035231 /nfs/dbraw/zinc/03/52/31/555035231.db2.gz UDLZVMLPKSEDRB-STROYTFGSA-N -1 3 512.650 6.347 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102747463 555041165 /nfs/dbraw/zinc/04/11/65/555041165.db2.gz HOFYLJBFMFOMSY-JCYYIGJDSA-N -1 3 504.542 5.265 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102754037 555046069 /nfs/dbraw/zinc/04/60/69/555046069.db2.gz AZTWLJFHYAFNLG-OYUWMTPXSA-N -1 3 524.960 5.610 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102757933 555050359 /nfs/dbraw/zinc/05/03/59/555050359.db2.gz WJBKNADKNWZSOA-TWJOJJKGSA-N -1 3 500.938 5.259 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000102759969 555051764 /nfs/dbraw/zinc/05/17/64/555051764.db2.gz SCCKIMDCSYGQJK-CCDWMCETSA-N -1 3 537.410 5.298 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102762181 555053122 /nfs/dbraw/zinc/05/31/22/555053122.db2.gz ATNWEVGNFUJBPF-BHDDXSALSA-N -1 3 502.876 5.598 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860626 555090965 /nfs/dbraw/zinc/09/09/65/555090965.db2.gz BEHKNDPLVAUERG-KMDXXIMOSA-N -1 3 571.482 6.162 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCC2)Cc2ccccc2-3)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000102880349 555109318 /nfs/dbraw/zinc/10/93/18/555109318.db2.gz RXNUDFDDDFDSOH-UHFFFAOYSA-N -1 3 624.810 8.090 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102886707 555117281 /nfs/dbraw/zinc/11/72/81/555117281.db2.gz TZUNLFJDWCLZIL-JBOQNHBVSA-N -1 3 599.481 6.396 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102886765 555117295 /nfs/dbraw/zinc/11/72/95/555117295.db2.gz VAQHQBSKIMNHHU-MJSOWUPRSA-N -1 3 576.630 5.659 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102892152 555128120 /nfs/dbraw/zinc/12/81/20/555128120.db2.gz FPZGGSJOLALZIE-DSNGMDLFSA-N -1 3 574.247 7.611 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102892148 555128151 /nfs/dbraw/zinc/12/81/51/555128151.db2.gz FPZGGSJOLALZIE-UBFVSLLYSA-N -1 3 574.247 7.611 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102895455 555134249 /nfs/dbraw/zinc/13/42/49/555134249.db2.gz XQCRCPJDQNIMTH-ZONZVBGPSA-N -1 3 561.015 5.159 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000102895779 555135243 /nfs/dbraw/zinc/13/52/43/555135243.db2.gz CEPACTMFKHAIAN-XYIJYTLJSA-N -1 3 555.634 5.645 50 0 KKAAHM COc1cc([N-]S(=O)(=O)c2cc(-c3nnc(-c4cc(C)oc4C)o3)c(Cl)cc2Cl)c(Cl)c(OC)c1 ZINC000102898845 555138391 /nfs/dbraw/zinc/13/83/91/555138391.db2.gz XQNWZCJNUCDKIZ-UHFFFAOYSA-N -1 3 558.827 6.392 50 0 KKAAHM CCOC(=O)c1c(C)oc2nc(CSc3nnc(-c4ccccc4)n3-c3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000102915343 555143737 /nfs/dbraw/zinc/14/37/37/555143737.db2.gz ZURFOLJZRSEZNG-UHFFFAOYSA-N -1 3 521.986 5.195 50 0 KKAAHM COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1[O-] ZINC000102930400 555157018 /nfs/dbraw/zinc/15/70/18/555157018.db2.gz APZJDAXYQSRPNL-SANMLTNESA-N -1 3 594.449 7.108 50 0 KKAAHM Cc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102934795 555161853 /nfs/dbraw/zinc/16/18/53/555161853.db2.gz SWPXVWNXWFNTCL-UHFFFAOYSA-N -1 3 576.505 7.879 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc3oc(=S)n(CN4CCN(c5cccc(C)c5C)CC4)c3c2)cc1 ZINC000102991548 555192734 /nfs/dbraw/zinc/19/27/34/555192734.db2.gz PSLAIVYOQVGLRH-UHFFFAOYSA-N -1 3 538.695 5.170 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000102996437 555195977 /nfs/dbraw/zinc/19/59/77/555195977.db2.gz ONKSARQQABZRJH-UHFFFAOYSA-N -1 3 546.092 6.512 50 0 KKAAHM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)cc12 ZINC000103000585 555200258 /nfs/dbraw/zinc/20/02/58/555200258.db2.gz XBOQOFHYLBLIDB-UHFFFAOYSA-N -1 3 557.484 6.755 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000103013169 555207659 /nfs/dbraw/zinc/20/76/59/555207659.db2.gz XKEUPVACUHOLBJ-DEOSSOPVSA-N -1 3 578.518 5.894 50 0 KKAAHM CCC[C@@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1)c1ccccc1 ZINC000103026771 555216659 /nfs/dbraw/zinc/21/66/59/555216659.db2.gz OAXMXJNUVJSUAC-HXUWFJFHSA-N -1 3 531.472 6.089 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)ccc2C)c(C)c1 ZINC000103049588 555231740 /nfs/dbraw/zinc/23/17/40/555231740.db2.gz JAYYXGLQOGHNNS-UHFFFAOYSA-N -1 3 622.541 6.445 50 0 KKAAHM Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)ccc1C(C)C ZINC000103049994 555232257 /nfs/dbraw/zinc/23/22/57/555232257.db2.gz QIDLPHVNZZLGSM-UHFFFAOYSA-N -1 3 556.128 6.580 50 0 KKAAHM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000103090486 555269402 /nfs/dbraw/zinc/26/94/02/555269402.db2.gz OPIWCZMZSRMTQX-MHZLTWQESA-N -1 3 569.687 7.053 50 0 KKAAHM COCc1noc([N-]C(=O)CSc2nccc(-c3ccc(OC)cc3)n2)c1-c1cccc(C(F)(F)F)c1 ZINC000103136234 555306329 /nfs/dbraw/zinc/30/63/29/555306329.db2.gz JMYQQJCIJOVTFH-UHFFFAOYSA-N -1 3 530.528 5.703 50 0 KKAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)N(C1CCCCC1)C1CCCCC1 ZINC000103136357 555306557 /nfs/dbraw/zinc/30/65/57/555306557.db2.gz MWSVJNXWXUYRGQ-UHFFFAOYSA-N -1 3 547.117 5.469 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000103259809 555346660 /nfs/dbraw/zinc/34/66/60/555346660.db2.gz XTRNVABMZXBDQI-XPWALMASSA-N -1 3 557.455 5.771 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103523661 555427536 /nfs/dbraw/zinc/42/75/36/555427536.db2.gz QEIGNHXEFMNDAG-APSVEGKFSA-N -1 3 543.069 6.319 50 0 KKAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000104784463 571386200 /nfs/dbraw/zinc/38/62/00/571386200.db2.gz FZAKQMOUQLKEDH-XPWALMASSA-N -1 3 573.274 5.578 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000105796757 571408921 /nfs/dbraw/zinc/40/89/21/571408921.db2.gz BDJWIZPTFYWCMS-UODIDJSMSA-N -1 3 551.437 5.688 50 0 KKAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000105906409 571409297 /nfs/dbraw/zinc/40/92/97/571409297.db2.gz BVHGOJINBRCZKA-BHDDXSALSA-N -1 3 530.886 5.197 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106017611 571410610 /nfs/dbraw/zinc/41/06/10/571410610.db2.gz MQTZMIAOJDTZAC-MPFGFTFXSA-N -1 3 585.454 6.088 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106019789 571410698 /nfs/dbraw/zinc/41/06/98/571410698.db2.gz DCSMQSUQPJLMAR-JCYYIGJDSA-N -1 3 607.421 6.411 50 0 KKAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)[C@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@@H]1C2 ZINC000108237941 571422819 /nfs/dbraw/zinc/42/28/19/571422819.db2.gz AUEDUNMNIPNDSG-HFRPUZODSA-N -1 3 511.640 5.005 50 0 biogenic KKAAHM COc1cccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1OCCc1ccccc1 ZINC000108448667 571424412 /nfs/dbraw/zinc/42/44/12/571424412.db2.gz VPDHDHRHCSQBPR-RUZDIDTESA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)cc2)cc1 ZINC000108449747 571424867 /nfs/dbraw/zinc/42/48/67/571424867.db2.gz OYGVCYVCJOHLSB-MHZLTWQESA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCCc1ccccc1 ZINC000108450459 571425355 /nfs/dbraw/zinc/42/53/55/571425355.db2.gz YVXJZWRHIPXEKR-VWLOTQADSA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM CC1(C)CCC(CN2CCN(c3ccc(C(=O)[O-])c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000114018354 571443260 /nfs/dbraw/zinc/44/32/60/571443260.db2.gz DMRMYQUGHOAQFW-UHFFFAOYSA-N -1 3 571.121 7.493 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000136642405 571449684 /nfs/dbraw/zinc/44/96/84/571449684.db2.gz CPSGHXNMBSAQQG-PWRODBHTSA-N -1 3 501.739 5.293 50 0 KKAAHM COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c1OC ZINC000150404197 571479003 /nfs/dbraw/zinc/47/90/03/571479003.db2.gz SMXPLEKYAVAWPY-XMMPIXPASA-N -1 3 663.529 5.498 50 0 KKAAHM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000150408338 571480635 /nfs/dbraw/zinc/48/06/35/571480635.db2.gz LZSUGACCQKGSPB-HSZRJFAPSA-N -1 3 665.237 6.523 50 0 KKAAHM O=C(CSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)Nc1ccc2c(c1)OCO2 ZINC000150408333 571480676 /nfs/dbraw/zinc/48/06/76/571480676.db2.gz JULHIAVECOORJL-UHFFFAOYSA-N -1 3 679.220 6.843 50 0 KKAAHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000150408346 571480771 /nfs/dbraw/zinc/48/07/71/571480771.db2.gz LZSUGACCQKGSPB-QHCPKHFHSA-N -1 3 665.237 6.523 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2Cc2ccco2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000150448902 571501855 /nfs/dbraw/zinc/50/18/55/571501855.db2.gz LKQMHOPSTCCQDW-UHFFFAOYSA-N -1 3 642.825 8.132 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(CC(C)C)C2=O)c1 ZINC000150457901 571505198 /nfs/dbraw/zinc/50/51/98/571505198.db2.gz WEVBEDITHPFRFE-UHFFFAOYSA-N -1 3 658.596 5.618 50 0 KKAAHM COCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)Cc3ccccc3C(=O)OC)cc2)C1=O ZINC000150457937 571505200 /nfs/dbraw/zinc/50/52/00/571505200.db2.gz GRPOBNDREAZWQG-UHFFFAOYSA-N -1 3 637.780 5.360 50 0 KKAAHM CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2-c2ccccc2)cc1 ZINC000150478312 571511361 /nfs/dbraw/zinc/51/13/61/571511361.db2.gz YWLDVAORUXDTSG-FQEVSTJZSA-N -1 3 647.182 6.466 50 0 KKAAHM CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2-c2ccccc2)cc1 ZINC000150478314 571511475 /nfs/dbraw/zinc/51/14/75/571511475.db2.gz YWLDVAORUXDTSG-HXUWFJFHSA-N -1 3 647.182 6.466 50 0 KKAAHM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3cc(S(=O)(=O)[N-]c4ccccc4Cl)ccc3o2)c1 ZINC000150483043 571513586 /nfs/dbraw/zinc/51/35/86/571513586.db2.gz PHGBJSIMNXYTSP-UHFFFAOYSA-N -1 3 643.596 5.697 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490523 571517033 /nfs/dbraw/zinc/51/70/33/571517033.db2.gz MQXCVMXAVZYYOG-UBGRPSPFSA-N -1 3 684.372 8.211 50 0 KKAAHM Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@H](C)CCCC(C)C ZINC000150490536 571517055 /nfs/dbraw/zinc/51/70/55/571517055.db2.gz PZWBFCHTBHUFSP-OAQYLSRUSA-N -1 3 660.693 8.479 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490516 571517061 /nfs/dbraw/zinc/51/70/61/571517061.db2.gz PIYQEOAIFKLEKT-FQEVSTJZSA-N -1 3 647.654 7.566 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490514 571517091 /nfs/dbraw/zinc/51/70/91/571517091.db2.gz PIYQEOAIFKLEKT-HXUWFJFHSA-N -1 3 647.654 7.566 50 0 KKAAHM O=C([N-][C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150574328 571521561 /nfs/dbraw/zinc/52/15/61/571521561.db2.gz SYIIDAWLFNOQSV-OKILXGFUSA-N -1 3 672.050 5.933 50 0 KKAAHM O=C([N-][C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150574328 571521564 /nfs/dbraw/zinc/52/15/64/571521564.db2.gz SYIIDAWLFNOQSV-OKILXGFUSA-N -1 3 672.050 5.933 50 0 KKAAHM O=C([N-][C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150574330 571521589 /nfs/dbraw/zinc/52/15/89/571521589.db2.gz SYIIDAWLFNOQSV-ZIAGYGMSSA-N -1 3 672.050 5.933 50 0 KKAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc1-2 ZINC000198698673 571568515 /nfs/dbraw/zinc/56/85/15/571568515.db2.gz FFIHQFWGOMLBTM-UHFFFAOYSA-N -1 3 681.463 8.204 50 0 KKAAHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261492563 572110846 /nfs/dbraw/zinc/11/08/46/572110846.db2.gz JJXSJXALRXZQOK-DEOSSOPVSA-N -1 3 520.420 5.567 50 0 KKAAHM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@@H](NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000226257990 572135229 /nfs/dbraw/zinc/13/52/29/572135229.db2.gz ZUQVMGHOBYQBEX-RGZBUGHASA-N -1 3 592.125 7.049 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226815604 572141893 /nfs/dbraw/zinc/14/18/93/572141893.db2.gz HURXEWHQARGWKH-OJDZSJEKSA-N -1 3 536.628 6.469 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000226897309 572145215 /nfs/dbraw/zinc/14/52/15/572145215.db2.gz HLOTYTHFZXMWAA-JIMJEQGWSA-N -1 3 529.390 5.662 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226929626 572145247 /nfs/dbraw/zinc/14/52/47/572145247.db2.gz XFSUGYGOOWZZBR-JLMYGFKKSA-N -1 3 508.624 5.666 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000227021065 572147388 /nfs/dbraw/zinc/14/73/88/572147388.db2.gz SHTPDBKUWALGMG-OYUWMTPXSA-N -1 3 565.464 6.078 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000227031169 572148208 /nfs/dbraw/zinc/14/82/08/572148208.db2.gz SGRUXFBROPZOQY-OYUWMTPXSA-N -1 3 616.411 5.562 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227081938 572149717 /nfs/dbraw/zinc/14/97/17/572149717.db2.gz TWMUDXNVQVFUQP-ZGIBFIJWSA-N -1 3 552.558 5.413 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227086709 572150452 /nfs/dbraw/zinc/15/04/52/572150452.db2.gz YEVTYJNCKNYRIU-VGBJTSDXSA-N -1 3 597.092 6.275 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238537 572152156 /nfs/dbraw/zinc/15/21/56/572152156.db2.gz TXPDZRGFCPSHFU-UUQNIDNHSA-N -1 3 562.647 5.621 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227241369 572152219 /nfs/dbraw/zinc/15/22/19/572152219.db2.gz MUNOBNJSMWTBIM-IRYJCKHSSA-N -1 3 564.682 5.991 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227293160 572153327 /nfs/dbraw/zinc/15/33/27/572153327.db2.gz JLVPVMTYDNZYLF-GMQQYTKMSA-N -1 3 605.466 5.268 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000227301709 572153552 /nfs/dbraw/zinc/15/35/52/572153552.db2.gz NGGKXOFXRQGIRE-CILKRHGOSA-N -1 3 546.648 6.003 50 0 KKAAHM Cc1ccc2c(c1)[C@]1(C(=O)N2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000229852476 572160760 /nfs/dbraw/zinc/16/07/60/572160760.db2.gz YCCPIQFTOOLLBA-MSCJQJAMSA-N -1 3 532.427 5.316 50 0 KKAAHM COc1cccc(C([O-])=C2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229870604 572163963 /nfs/dbraw/zinc/16/39/63/572163963.db2.gz QNJZVDBFOWNGGF-NXLUEKNWSA-N -1 3 632.716 7.001 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229900312 572167429 /nfs/dbraw/zinc/16/74/29/572167429.db2.gz XQCRCPJDQNIMTH-OYUWMTPXSA-N -1 3 561.015 5.159 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229924700 572170494 /nfs/dbraw/zinc/17/04/94/572170494.db2.gz TXPDZRGFCPSHFU-UHLQNUQBSA-N -1 3 562.647 5.621 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229927785 572170800 /nfs/dbraw/zinc/17/08/00/572170800.db2.gz KNTBAPSEJMDMLH-OYUWMTPXSA-N -1 3 561.015 5.159 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccccc1)CCCC2 ZINC000229969196 572175432 /nfs/dbraw/zinc/17/54/32/572175432.db2.gz QFYQOZHFIRBPAQ-ISJGIBHGSA-N -1 3 516.619 5.163 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000230029102 572180262 /nfs/dbraw/zinc/18/02/62/572180262.db2.gz XAOMMBHBNKOFIG-PWRODBHTSA-N -1 3 517.301 5.519 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1cccc(Br)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000230055010 572181745 /nfs/dbraw/zinc/18/17/45/572181745.db2.gz JBGPXVAJRGZCSL-PWRODBHTSA-N -1 3 562.645 5.916 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000230033526 572180541 /nfs/dbraw/zinc/18/05/41/572180541.db2.gz CWSHZTDTVXGPNQ-PWRODBHTSA-N -1 3 536.184 5.946 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000230189591 572185140 /nfs/dbraw/zinc/18/51/40/572185140.db2.gz GKAZYFQOEUZNOQ-YUAOJYLXSA-N -1 3 528.608 6.143 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccccc1)CCCC2 ZINC000238923908 572189007 /nfs/dbraw/zinc/18/90/07/572189007.db2.gz QFYQOZHFIRBPAQ-UBFVSLLYSA-N -1 3 516.619 5.163 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000238899640 572189042 /nfs/dbraw/zinc/18/90/42/572189042.db2.gz GXCHQBXNZCNSIZ-UBFVSLLYSA-N -1 3 516.619 5.081 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240492 572214272 /nfs/dbraw/zinc/21/42/72/572214272.db2.gz XFSUGYGOOWZZBR-ANARSLNQSA-N -1 3 508.624 5.666 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000245245224 572217448 /nfs/dbraw/zinc/21/74/48/572217448.db2.gz CEPACTMFKHAIAN-RAESKKBESA-N -1 3 555.634 5.645 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(=O)c3ccccc3)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000245246100 572218731 /nfs/dbraw/zinc/21/87/31/572218731.db2.gz IEVKQGODKUBHKW-NSRVOULTSA-N -1 3 664.780 6.956 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(=O)c3ccccc3)cc1)C[C@H](C(C)(C)C)CC2 ZINC000245246101 572218829 /nfs/dbraw/zinc/21/88/29/572218829.db2.gz IEVKQGODKUBHKW-RYNQABCDSA-N -1 3 664.780 6.956 50 0 KKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245309038 572227166 /nfs/dbraw/zinc/22/71/66/572227166.db2.gz ABSHEGAFHJLYPM-WXFUMESZSA-N -1 3 507.384 5.071 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 ZINC000245309324 572227196 /nfs/dbraw/zinc/22/71/96/572227196.db2.gz BUFVHZOLWAUEGK-MPFGFTFXSA-N -1 3 530.621 5.714 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310113 572228233 /nfs/dbraw/zinc/22/82/33/572228233.db2.gz HWNDGFQPGNFMEN-OAJQQGRKSA-N -1 3 531.637 5.698 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245312603 572229728 /nfs/dbraw/zinc/22/97/28/572229728.db2.gz WFPBKOUFZWTAQN-YUAOJYLXSA-N -1 3 528.583 6.072 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312634 572230099 /nfs/dbraw/zinc/23/00/99/572230099.db2.gz WRHSBJXEQMDBBO-ACIRYHQQSA-N -1 3 525.048 6.319 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245312632 572230386 /nfs/dbraw/zinc/23/03/86/572230386.db2.gz WQAQLDOMJVZVAW-OAJQQGRKSA-N -1 3 516.622 5.913 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(-c3ccc(F)cc3)o1)C[C@@H](C(C)(C)C)CC2 ZINC000245329033 572235159 /nfs/dbraw/zinc/23/51/59/572235159.db2.gz XADVKYJPWGMYDS-PLMLIJPGSA-N -1 3 628.722 7.136 50 0 KKAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)[C@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1C2 ZINC000252510622 572262091 /nfs/dbraw/zinc/26/20/91/572262091.db2.gz AUEDUNMNIPNDSG-OWARJOMUSA-N -1 3 511.640 5.005 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410305 572287346 /nfs/dbraw/zinc/28/73/46/572287346.db2.gz NETKSSSITQZGER-IJAHGLKVSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413194 572288417 /nfs/dbraw/zinc/28/84/17/572288417.db2.gz UCICMEZSJCENSS-JXSYCYSGSA-N -1 3 703.741 5.002 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)N1N=C2C(=Cc3cccc(Cl)c3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000150481232 1071172583 /nfs/dbraw/zinc/17/25/83/1071172583.db2.gz PWDLJUBLRXKMDV-SPTUGXCOSA-N -1 3 726.633 9.288 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn4c3nc(-c3ccc(C)cc3)cc4C(F)F)cc2)cc1 ZINC000000649131 551510725 /nfs/dbraw/zinc/51/07/25/551510725.db2.gz ZXOMVXIQBFVQGS-UHFFFAOYSA-N -1 3 563.586 5.704 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000000659331 551515199 /nfs/dbraw/zinc/51/51/99/551515199.db2.gz NMUSDLNQZRBQQO-UHFFFAOYSA-N -1 3 538.935 6.031 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000000689379 551527014 /nfs/dbraw/zinc/52/70/14/551527014.db2.gz VOEFKGGWVUPQQW-UHFFFAOYSA-N -1 3 511.685 5.789 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cnn3c2nc(-c2ccc(OC)cc2)cc3C(F)(F)F)c(C(=O)OCC)c1C ZINC000000720957 551537410 /nfs/dbraw/zinc/53/74/10/551537410.db2.gz GGCOVPNQKJJNSB-UHFFFAOYSA-N -1 3 576.553 5.399 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000000844904 551548043 /nfs/dbraw/zinc/54/80/43/551548043.db2.gz BDLCZXIRFZGWOM-UHFFFAOYSA-N -1 3 546.527 5.391 50 0 KKAAHM COC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c(C(=O)OC)c1C ZINC000000845224 551548349 /nfs/dbraw/zinc/54/83/49/551548349.db2.gz BNXSKLFCGOGJLZ-UHFFFAOYSA-N -1 3 597.369 5.373 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000000997550 551594843 /nfs/dbraw/zinc/59/48/43/551594843.db2.gz SLJUYRLZAKFGTH-UHFFFAOYSA-N -1 3 514.938 5.847 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(I)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000001273606 551635328 /nfs/dbraw/zinc/63/53/28/551635328.db2.gz QCWDHMZAYZRCDK-PCCBWWKXSA-N -1 3 575.200 5.105 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(C(=O)OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404653 551661542 /nfs/dbraw/zinc/66/15/42/551661542.db2.gz GXQQGWNGYKOVHQ-VWLOTQADSA-N -1 3 532.394 5.774 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(C(=O)OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404653 551661544 /nfs/dbraw/zinc/66/15/44/551661544.db2.gz GXQQGWNGYKOVHQ-VWLOTQADSA-N -1 3 532.394 5.774 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404666 551661570 /nfs/dbraw/zinc/66/15/70/551661570.db2.gz VMZKVRJBVGZVQB-SANMLTNESA-N -1 3 534.410 6.005 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404666 551661572 /nfs/dbraw/zinc/66/15/72/551661572.db2.gz VMZKVRJBVGZVQB-SANMLTNESA-N -1 3 534.410 6.005 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404663 551661581 /nfs/dbraw/zinc/66/15/81/551661581.db2.gz BHKXKWJVOXOZNI-AREMUKBSSA-N -1 3 534.410 6.005 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404663 551661585 /nfs/dbraw/zinc/66/15/85/551661585.db2.gz BHKXKWJVOXOZNI-AREMUKBSSA-N -1 3 534.410 6.005 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001796454 551702886 /nfs/dbraw/zinc/70/28/86/551702886.db2.gz NUCJNZUNKZCLDI-OCBJUFRSSA-N -1 3 555.030 6.369 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001823605 551709366 /nfs/dbraw/zinc/70/93/66/551709366.db2.gz YPQDCPQVFUCCLG-LBNVMWSVSA-N -1 3 519.041 6.529 50 0 biogenic KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000001876971 551722929 /nfs/dbraw/zinc/72/29/29/551722929.db2.gz RIRPJLUDXBFOLP-DGCLKSJQSA-N -1 3 574.965 5.765 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000001876972 551722938 /nfs/dbraw/zinc/72/29/38/551722938.db2.gz RIRPJLUDXBFOLP-AAEUAGOBSA-N -1 3 574.965 5.765 50 0 KKAAHM CCOC(=O)[C@@]([N-]c1ccc(C(F)(F)F)cc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050620 551738549 /nfs/dbraw/zinc/73/85/49/551738549.db2.gz HZSBNZUMSAIQCA-QGZVFWFLSA-N -1 3 503.226 5.676 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CCCCC2 ZINC000002082383 551752457 /nfs/dbraw/zinc/75/24/57/551752457.db2.gz LCDIYXUQAVORQX-UHFFFAOYSA-N -1 3 593.425 6.547 50 0 KKAAHM CCCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002107892 551765009 /nfs/dbraw/zinc/76/50/09/551765009.db2.gz OAEFKJPLWSYKLF-UHFFFAOYSA-N -1 3 541.044 8.114 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000002108969 551766606 /nfs/dbraw/zinc/76/66/06/551766606.db2.gz BCGIWCUTZNLMGW-FIBWVYCGSA-N -1 3 510.634 6.492 50 0 biogenic,in-vitro KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1[N-]C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002115245 551769242 /nfs/dbraw/zinc/76/92/42/551769242.db2.gz ZOGWBNZKNVALFB-UHFFFAOYSA-N -1 3 572.470 7.316 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002139670 551774608 /nfs/dbraw/zinc/77/46/08/551774608.db2.gz WGOJINLFMMHVFP-ZJSXRUAMSA-N -1 3 501.633 5.767 50 0 biogenic KKAAHM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000002213015 551794397 /nfs/dbraw/zinc/79/43/97/551794397.db2.gz WTFKCOUNBCCREX-QGZVFWFLSA-N -1 3 503.624 6.628 50 0 KKAAHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4sc5ccccc5c4Cl)ccc3[O-])nc2c1 ZINC000002218392 551795609 /nfs/dbraw/zinc/79/56/09/551795609.db2.gz DDZQGNAJQCKUQS-UHFFFAOYSA-N -1 3 508.024 6.758 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000002253333 551801972 /nfs/dbraw/zinc/80/19/72/551801972.db2.gz GWPAFWXSQKUICE-NJDAHSKKSA-N -1 3 528.200 5.263 50 0 KKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccccc3Cl)c(O)c2)cc1[O-])c1ccccc1Cl ZINC000002377153 552106988 /nfs/dbraw/zinc/10/69/88/552106988.db2.gz QPAVLYNQWZPNLX-UHFFFAOYSA-N -1 3 507.373 6.500 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002416484 552114782 /nfs/dbraw/zinc/11/47/82/552114782.db2.gz AXWGVJBZYGTVMO-NHKHRBQYSA-N -1 3 534.568 5.274 50 0 KKAAHM COc1cccc(-c2nnc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)n2-c2ccccc2)c1 ZINC000002628094 552139207 /nfs/dbraw/zinc/13/92/07/552139207.db2.gz WGFGYGARRCHFPT-UHFFFAOYSA-N -1 3 523.643 6.200 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002861845 552204334 /nfs/dbraw/zinc/20/43/34/552204334.db2.gz ZSQXOEKSZSVJHI-HSZRJFAPSA-N -1 3 520.379 5.632 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002865757 552205264 /nfs/dbraw/zinc/20/52/64/552205264.db2.gz XTKMEYXZGZHQMD-LJQANCHMSA-N -1 3 516.731 5.262 50 0 KKAAHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003134549 552293047 /nfs/dbraw/zinc/29/30/47/552293047.db2.gz XRSFFIXPKRSYJY-UHFFFAOYSA-N -1 3 512.815 6.246 50 0 KKAAHM Cc1cccc(N2CCN(Cn3c4ccc(S(=O)(=O)[N-]c5ccccc5Cl)cc4oc3=S)CC2)c1C ZINC000003243568 552319702 /nfs/dbraw/zinc/31/97/02/552319702.db2.gz BEYORVPSCZSURZ-UHFFFAOYSA-N -1 3 543.114 5.815 50 0 KKAAHM COc1ccc(-c2csc(N(C(=O)c3ccc(Br)cc3)C(=O)c3ccc(Br)cc3)n2)c([O-])c1 ZINC000003257420 552324582 /nfs/dbraw/zinc/32/45/82/552324582.db2.gz AZVXTXMLABHUKW-UHFFFAOYSA-N -1 3 588.277 6.537 50 0 KKAAHM O=C(CSc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2o1)c1ccc(OC(F)F)cc1 ZINC000003269353 552331322 /nfs/dbraw/zinc/33/13/22/552331322.db2.gz NQAZGUOQJLBGFZ-UHFFFAOYSA-N -1 3 524.954 5.858 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 ZINC000003271693 552332087 /nfs/dbraw/zinc/33/20/87/552332087.db2.gz PPTVVZNPTXFGPQ-OALUTQOASA-N -1 3 502.640 6.201 50 0 KKAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003296971 552343479 /nfs/dbraw/zinc/34/34/79/552343479.db2.gz FQTKHLZAOQTXNT-YAOQVBECSA-N -1 3 552.958 5.172 50 0 KKAAHM COC(=O)c1ccc(CSc2nnc([N-]C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)s2)cc1 ZINC000003306420 552349152 /nfs/dbraw/zinc/34/91/52/552349152.db2.gz DVVVOMZUZCIYCA-UHFFFAOYSA-N -1 3 527.631 5.722 50 0 KKAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000003311240 552351919 /nfs/dbraw/zinc/35/19/19/552351919.db2.gz KYPUXWCUKGPKPT-UHFFFAOYSA-N -1 3 501.995 6.089 50 0 KKAAHM CCc1ccc(Nc2nnc(SCc3nc(=O)c4c(-c5ccc(Cl)cc5)csc4[n-]3)s2)cc1 ZINC000003331238 552359276 /nfs/dbraw/zinc/35/92/76/552359276.db2.gz CQRUJIAYWXOPLD-UHFFFAOYSA-N -1 3 512.085 6.755 50 0 KKAAHM COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c1)oc1ccccc12 ZINC000003400106 552380483 /nfs/dbraw/zinc/38/04/83/552380483.db2.gz KYIUJSGIJXTSTE-INIZCTEOSA-N -1 3 597.020 6.372 50 0 KKAAHM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nnc([N-]c3ccccc3F)s1)CC2 ZINC000003444315 552388069 /nfs/dbraw/zinc/38/80/69/552388069.db2.gz BFWIJSWKFDTDST-RUZDIDTESA-N -1 3 536.654 5.704 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656023 552404310 /nfs/dbraw/zinc/40/43/10/552404310.db2.gz KBFSRBDMAYAUHM-QFIPXVFZSA-N -1 3 522.351 5.024 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656028 552404319 /nfs/dbraw/zinc/40/43/19/552404319.db2.gz RWLKLXQLTJQDJY-OAQYLSRUSA-N -1 3 526.770 5.669 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656119 552404827 /nfs/dbraw/zinc/40/48/27/552404827.db2.gz WCEUZOZNRHYZMQ-NRFANRHFSA-N -1 3 561.215 6.322 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656171 552405052 /nfs/dbraw/zinc/40/50/52/552405052.db2.gz XEKPSXCUUHHIKR-NRFANRHFSA-N -1 3 528.305 5.293 50 0 KKAAHM CC(C)(C)c1ccc(Oc2c(-c3ccc(OCc4ccc(Cl)cc4)cc3[O-])n[nH]c2C(F)(F)F)cc1 ZINC000003947048 552423329 /nfs/dbraw/zinc/42/33/29/552423329.db2.gz NCEVSONUWBCSNG-UHFFFAOYSA-N -1 3 516.947 8.123 50 0 KKAAHM CCOc1nn(-c2ccc(NC(=O)COc3ccc(C(C)(C)CC)cc3C(C)(C)CC)cc2)c([O-])c1Sc1nnnn1-c1ccccc1 ZINC000004014826 552426283 /nfs/dbraw/zinc/42/62/83/552426283.db2.gz LHJWGDNBXPSCKP-HKBQPEDESA-N -1 3 669.852 6.913 50 0 KKAAHM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000004016064 552427016 /nfs/dbraw/zinc/42/70/16/552427016.db2.gz JYZJNNIVCUPCPJ-NDEPHWFRSA-N -1 3 580.169 8.861 50 0 KKAAHM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccccc1I ZINC000004089236 552434658 /nfs/dbraw/zinc/43/46/58/552434658.db2.gz PYKLCIDOQUYGIW-UHFFFAOYSA-N -1 3 531.400 5.400 50 0 KKAAHM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c([O-])c2c1 ZINC000004654579 552471458 /nfs/dbraw/zinc/47/14/58/552471458.db2.gz WQSYEVHYRANOQQ-UHFFFAOYSA-N -1 3 579.722 5.937 50 0 KKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CN1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000005225922 552495817 /nfs/dbraw/zinc/49/58/17/552495817.db2.gz PSWRSAHUNDFIJM-UHFFFAOYSA-N -1 3 605.529 6.372 50 0 biogenic KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)c3nc4scc(-c5cccs5)c4c(=O)[nH]3)c2)cc1 ZINC000006152511 552551831 /nfs/dbraw/zinc/55/18/31/552551831.db2.gz RHJRHWSIZVVWBE-MRXNPFEDSA-N -1 3 581.697 5.749 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CCCCC2 ZINC000008397289 552996467 /nfs/dbraw/zinc/99/64/67/552996467.db2.gz FFYODQVOIYJKDY-UHFFFAOYSA-N -1 3 637.478 6.946 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1 ZINC000008399544 553001652 /nfs/dbraw/zinc/00/16/52/553001652.db2.gz ISIWBJXNYMOITD-UHFFFAOYSA-N -1 3 662.834 6.659 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Br)C[C@H](C)CC2 ZINC000008430200 553021089 /nfs/dbraw/zinc/02/10/89/553021089.db2.gz PGZHDEBVNMLSBX-LLVKDONJSA-N -1 3 613.481 6.854 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CCCCC2 ZINC000008430475 553021796 /nfs/dbraw/zinc/02/17/96/553021796.db2.gz WXOSRJVKJAAXCT-UHFFFAOYSA-N -1 3 555.003 6.499 50 0 KKAAHM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(I)c1[O-] ZINC000008452823 553064702 /nfs/dbraw/zinc/06/47/02/553064702.db2.gz RFRWKDIYUPSEDK-SFHVURJKSA-N -1 3 601.264 5.625 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595717 553089168 /nfs/dbraw/zinc/08/91/68/553089168.db2.gz VXUSDLOKSZMEIH-NDEPHWFRSA-N -1 3 527.577 5.419 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595717 553089171 /nfs/dbraw/zinc/08/91/71/553089171.db2.gz VXUSDLOKSZMEIH-NDEPHWFRSA-N -1 3 527.577 5.419 50 0 KKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)[C@]([O-])(C(F)(F)F)C2)c(OC)c1 ZINC000008753890 553135705 /nfs/dbraw/zinc/13/57/05/553135705.db2.gz NPWDESKNXPLGFG-HXUWFJFHSA-N -1 3 528.350 5.455 50 0 KKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(Br)cc4)cs3)[C@@]([O-])(C(F)(F)F)C2)c(OC)c1 ZINC000008753893 553135823 /nfs/dbraw/zinc/13/58/23/553135823.db2.gz NPWDESKNXPLGFG-FQEVSTJZSA-N -1 3 528.350 5.455 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771889 553141228 /nfs/dbraw/zinc/14/12/28/553141228.db2.gz WEYALOPGFBMHQL-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771889 553141230 /nfs/dbraw/zinc/14/12/30/553141230.db2.gz WEYALOPGFBMHQL-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845212 553165648 /nfs/dbraw/zinc/16/56/48/553165648.db2.gz MLQLLSOKYUJKMD-NDEPHWFRSA-N -1 3 518.013 5.939 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000009015893 553200597 /nfs/dbraw/zinc/20/05/97/553200597.db2.gz XFSUGYGOOWZZBR-APSVEGKFSA-N -1 3 508.624 5.666 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009111382 553210313 /nfs/dbraw/zinc/21/03/13/553210313.db2.gz JACJOPKJWBWRCX-MFUXGYHDSA-N -1 3 502.595 5.604 50 0 KKAAHM COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1OC ZINC000009216165 553221558 /nfs/dbraw/zinc/22/15/58/553221558.db2.gz CCQVESGYLVOXFG-AREMUKBSSA-N -1 3 518.529 5.659 50 0 KKAAHM CC[C@H](Sc1nc2ccccc2s1)C(=O)[N-]C1=NN=C(c2ccc(Br)cc2)CS1 ZINC000009408698 553257201 /nfs/dbraw/zinc/25/72/01/553257201.db2.gz XYIKRTAIYBBDAP-INIZCTEOSA-N -1 3 505.488 5.553 50 0 KKAAHM CCc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000009540764 553277779 /nfs/dbraw/zinc/27/77/79/553277779.db2.gz FNYXOXDQQPHAKX-MUUNZHRXSA-N -1 3 502.014 6.103 50 0 KKAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000009553648 553278489 /nfs/dbraw/zinc/27/84/89/553278489.db2.gz SKXJSGDXJXANSP-XIEYBQDHSA-N -1 3 506.986 6.459 50 0 KKAAHM Cc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)cc1Cl ZINC000009559570 553280081 /nfs/dbraw/zinc/28/00/81/553280081.db2.gz SBMHPJGESUKTKO-UHFFFAOYSA-N -1 3 505.887 5.196 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679058 553295816 /nfs/dbraw/zinc/29/58/16/553295816.db2.gz XEPXUUHDKYGRGB-RUZDIDTESA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679058 553295818 /nfs/dbraw/zinc/29/58/18/553295818.db2.gz XEPXUUHDKYGRGB-RUZDIDTESA-N -1 3 520.383 5.615 50 0 KKAAHM CCOc1cc([C@@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000009679066 553296056 /nfs/dbraw/zinc/29/60/56/553296056.db2.gz WLRBRPGZPSWIET-RUZDIDTESA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000009679066 553296058 /nfs/dbraw/zinc/29/60/58/553296058.db2.gz WLRBRPGZPSWIET-RUZDIDTESA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679083 553296069 /nfs/dbraw/zinc/29/60/69/553296069.db2.gz AMGUFBQVVLNPJB-VWLOTQADSA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679083 553296071 /nfs/dbraw/zinc/29/60/71/553296071.db2.gz AMGUFBQVVLNPJB-VWLOTQADSA-N -1 3 520.383 5.702 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679441 553296432 /nfs/dbraw/zinc/29/64/32/553296432.db2.gz VCAGZWLAFITYBJ-MHZLTWQESA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679441 553296433 /nfs/dbraw/zinc/29/64/33/553296433.db2.gz VCAGZWLAFITYBJ-MHZLTWQESA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000011757954 553341368 /nfs/dbraw/zinc/34/13/68/553341368.db2.gz ZERBQMWCMQLNPI-UHFFFAOYSA-N -1 3 569.426 6.146 50 0 KKAAHM O=c1[n-]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCC1CCCCC1)N2 ZINC000012376356 553361460 /nfs/dbraw/zinc/36/14/60/553361460.db2.gz IFEGEBUBZWULFQ-UHFFFAOYSA-N -1 3 516.486 5.284 50 0 KKAAHM CCOC(=O)c1ccc(NC(=O)c2sc3[n-]c(CSc4cc(C)ccc4C)nc(=O)c3c2C)cc1 ZINC000013112510 553448429 /nfs/dbraw/zinc/44/84/29/553448429.db2.gz ZHCFPVOQAVSTBP-UHFFFAOYSA-N -1 3 507.637 5.631 50 0 KKAAHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000014186157 553506114 /nfs/dbraw/zinc/50/61/14/553506114.db2.gz APSLGUVGNUBYHL-CYBMUJFWSA-N -1 3 515.871 6.567 50 0 KKAAHM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)c([O-])c(OC)c2)N3)C1 ZINC000015945757 553544244 /nfs/dbraw/zinc/54/42/44/553544244.db2.gz BIRBGQHXKILTOM-BUXKBTBVSA-N -1 3 526.440 6.037 50 0 KKAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)c1 ZINC000016291043 553558792 /nfs/dbraw/zinc/55/87/92/553558792.db2.gz HOERIORFZJNUCV-UHFFFAOYSA-N -1 3 525.674 5.915 50 0 KKAAHM CC(C)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154409 553598640 /nfs/dbraw/zinc/59/86/40/553598640.db2.gz WIKOYEXFRAXFSN-IBGZPJMESA-N -1 3 507.475 5.162 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000018098367 553604142 /nfs/dbraw/zinc/60/41/42/553604142.db2.gz QJXDTMLOXINXMS-QHAWAJNXSA-N -1 3 501.739 5.293 50 0 KKAAHM COc1cc(OC)cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079188578 553666697 /nfs/dbraw/zinc/66/66/97/553666697.db2.gz NHAQHRLBIKEAKD-AACVGGIDSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1OC(C)C ZINC000079189207 553667316 /nfs/dbraw/zinc/66/73/16/553667316.db2.gz RJVDYZVAPOVBPK-SWMHYREXSA-N -1 3 536.621 6.111 50 0 KKAAHM COc1ccc2cc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 ZINC000079189662 553667393 /nfs/dbraw/zinc/66/73/93/553667393.db2.gz WHZGRPQZFQXLRI-NMZWHVSPSA-N -1 3 559.615 5.176 50 0 KKAAHM CC(C)COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079190996 553667930 /nfs/dbraw/zinc/66/79/30/553667930.db2.gz CJEQTPXISROELS-AEPZDPKRSA-N -1 3 520.622 6.350 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC(C)=O ZINC000079190815 553667938 /nfs/dbraw/zinc/66/79/38/553667938.db2.gz ATXCKYMOZFOLIG-DBUDIZNRSA-N -1 3 566.603 5.258 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 ZINC000079191676 553668358 /nfs/dbraw/zinc/66/83/58/553668358.db2.gz FBPSYIIKRBDYNL-TUAVOELASA-N -1 3 536.577 5.095 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 ZINC000079192427 553668405 /nfs/dbraw/zinc/66/84/05/553668405.db2.gz IOTMUZMRGHPKRE-YTBKULFHSA-N -1 3 515.562 5.157 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C ZINC000079192698 553668695 /nfs/dbraw/zinc/66/86/95/553668695.db2.gz JXICOOKDANHSCM-WWEVDSEZSA-N -1 3 536.621 6.111 50 0 KKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1ccccc1SCc1noc(-c2cccs2)n1 ZINC000095704615 553709158 /nfs/dbraw/zinc/70/91/58/553709158.db2.gz BRQKFSCVWDVXMB-UHFFFAOYSA-N -1 3 543.457 7.613 50 0 KKAAHM CC(C)Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1=O ZINC000096222904 553731724 /nfs/dbraw/zinc/73/17/24/553731724.db2.gz BDYHXSNNBXKZDK-QFIPXVFZSA-N -1 3 507.542 5.578 50 0 biogenic KKAAHM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022784269 553749904 /nfs/dbraw/zinc/74/99/04/553749904.db2.gz QWMRWHOZBJXVSR-SANMLTNESA-N -1 3 513.642 5.441 50 0 KKAAHM [O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795447 553750820 /nfs/dbraw/zinc/75/08/20/553750820.db2.gz UUAQGLNXIOCCDT-QFIPXVFZSA-N -1 3 540.476 5.970 50 0 KKAAHM CN(CCNc1cc(C(=O)[O-])nc2cc(Cl)cc(Cl)c21)C1c2ccccc2CCc2ccccc21 ZINC000096581282 553756116 /nfs/dbraw/zinc/75/61/16/553756116.db2.gz JVXRXKPGIGKSID-UHFFFAOYSA-N -1 3 506.433 6.472 50 0 KKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(OC)cc4)n3)cc2)cc1 ZINC000024023389 553788391 /nfs/dbraw/zinc/78/83/91/553788391.db2.gz NGJABZJVNKDSBD-UHFFFAOYSA-N -1 3 505.600 5.480 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c1Cl)CCCC2 ZINC000097949004 553798471 /nfs/dbraw/zinc/79/84/71/553798471.db2.gz JOJDVHWRSIZYCX-UHFFFAOYSA-N -1 3 627.870 7.200 50 0 KKAAHM CCOC(=O)[C@]([O-])(c1ccc(N[C@@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)c(C)c1)C(F)(F)F ZINC000097949532 553802287 /nfs/dbraw/zinc/80/22/87/553802287.db2.gz CDVLMJNFOLYHDG-FYYLOGMGSA-N -1 3 533.480 5.693 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000097954833 553825743 /nfs/dbraw/zinc/82/57/43/553825743.db2.gz LCFKPPVJFFJQLC-UBFVSLLYSA-N -1 3 539.802 6.958 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000097955268 553830756 /nfs/dbraw/zinc/83/07/56/553830756.db2.gz HLOTYTHFZXMWAA-NXCFDTQHSA-N -1 3 529.390 5.662 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1 ZINC000032974783 553883722 /nfs/dbraw/zinc/88/37/22/553883722.db2.gz FNDXGNULRBAEMX-UHFFFAOYSA-N -1 3 503.559 5.151 50 0 KKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000033355627 553935700 /nfs/dbraw/zinc/93/57/00/553935700.db2.gz CNFSXFKUSUJXBE-HKBQPEDESA-N -1 3 571.724 6.131 50 0 KKAAHM CCOc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000033356113 553939205 /nfs/dbraw/zinc/93/92/05/553939205.db2.gz LQIOPDXXRCOSRT-KRWDZBQOSA-N -1 3 566.524 5.047 50 0 KKAAHM CCOc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000033356112 553939337 /nfs/dbraw/zinc/93/93/37/553939337.db2.gz LQIOPDXXRCOSRT-QGZVFWFLSA-N -1 3 566.524 5.047 50 0 KKAAHM C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982380 554001866 /nfs/dbraw/zinc/00/18/66/554001866.db2.gz JGRGEDOIBZWYSM-NSHDSACASA-N -1 3 630.255 7.304 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097986441 554024030 /nfs/dbraw/zinc/02/40/30/554024030.db2.gz OTRJVMFJVHECLP-HWBMXIPRSA-N -1 3 534.918 5.032 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)C3c4ccccc4Oc4ccccc43)co2)s1)c1cccs1 ZINC000097990902 554030095 /nfs/dbraw/zinc/03/00/95/554030095.db2.gz BGKMPKNFNCZSIV-UHFFFAOYSA-N -1 3 575.649 5.941 50 0 KKAAHM Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([O-])ccc1Br)N1c3ccccc3N=C(Nc3ccc(Br)cc3)C1=N2 ZINC000097999767 554045689 /nfs/dbraw/zinc/04/56/89/554045689.db2.gz VAWFVNAFSQKSNH-MUUNZHRXSA-N -1 3 654.366 8.207 50 0 KKAAHM CCOC(=O)c1c([N-][C@@](NC(=O)c2ccccc2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003620 554055394 /nfs/dbraw/zinc/05/53/94/554055394.db2.gz LGTDDKSHNZPKTR-VWLOTQADSA-N -1 3 534.556 5.428 50 0 KKAAHM CCOC(=O)c1c([N-][C@](NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003623 554055401 /nfs/dbraw/zinc/05/54/01/554055401.db2.gz FUILKRSIJMRNCN-HSZRJFAPSA-N -1 3 524.517 5.021 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@@H](C)c3ccccc3)c2)cc1 ZINC000035944131 554101979 /nfs/dbraw/zinc/10/19/79/554101979.db2.gz LYQMYYBRVXPINH-NRFANRHFSA-N -1 3 523.699 5.698 50 0 KKAAHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1ccc(Br)c(C(F)(F)F)c1 ZINC000100008172 554179577 /nfs/dbraw/zinc/17/95/77/554179577.db2.gz MVSPXDYULLKHAW-UHFFFAOYSA-N -1 3 537.977 5.794 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3Cl)cc2)cc1 ZINC000048149732 554321417 /nfs/dbraw/zinc/32/14/17/554321417.db2.gz GARICKYUXXRXEX-GOSISDBHSA-N -1 3 503.089 6.603 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000059651553 554418776 /nfs/dbraw/zinc/41/87/76/554418776.db2.gz GDSUIVPUAGINSF-UHFFFAOYSA-N -1 3 593.727 5.255 50 0 KKAAHM COc1ccc(CC(=O)Nc2ccc(Cc3ccc(NC(=O)Cc4ccc(OC)c(OC)c4)c(O)c3)cc2[O-])cc1OC ZINC000059735000 554427009 /nfs/dbraw/zinc/42/70/09/554427009.db2.gz FMCXLDJCLVOMAZ-UHFFFAOYSA-N -1 3 586.641 5.085 50 0 KKAAHM Cc1ccccc1NC(=O)c1nc2ccccc2nc1C=C([O-])C(=O)Nc1c(C)cc(Br)cc1C ZINC000100721708 554455644 /nfs/dbraw/zinc/45/56/44/554455644.db2.gz SDGVMLGCGYVDAE-UHFFFAOYSA-N -1 3 531.410 5.320 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000060164709 554502542 /nfs/dbraw/zinc/50/25/42/554502542.db2.gz HJLHLHBRYSPDCC-VWLOTQADSA-N -1 3 599.514 6.062 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(I)cc4)cc3)n2)cc1 ZINC000100957630 554540620 /nfs/dbraw/zinc/54/06/20/554540620.db2.gz NPMJNDJSQDODMD-UHFFFAOYSA-N -1 3 587.443 5.686 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000101039686 554567395 /nfs/dbraw/zinc/56/73/95/554567395.db2.gz PIRBRNQHTGCYQV-QFIPXVFZSA-N -1 3 524.342 5.463 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000101109010 554640745 /nfs/dbraw/zinc/64/07/45/554640745.db2.gz CFJLSOMVIOXMQA-FCEKVYKBSA-N -1 3 538.531 5.105 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000101115974 554643160 /nfs/dbraw/zinc/64/31/60/554643160.db2.gz VFFRXJDXMHLXLI-WFPUBZAHSA-N -1 3 541.607 5.336 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101162791 554660292 /nfs/dbraw/zinc/66/02/92/554660292.db2.gz BHAUNPDRZCCCNU-UUROJUAVSA-N -1 3 531.439 6.254 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101179740 554666198 /nfs/dbraw/zinc/66/61/98/554666198.db2.gz HHHGQMKDPJLJQV-QODLHPCFSA-N -1 3 515.544 5.077 50 0 KKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101191537 554670787 /nfs/dbraw/zinc/67/07/87/554670787.db2.gz AZKFRKYWHBXYFA-SQRAXXTESA-N -1 3 545.466 6.582 50 0 KKAAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000101207983 554677337 /nfs/dbraw/zinc/67/73/37/554677337.db2.gz GFWSHDWZDDBACX-ANOKCIKSSA-N -1 3 517.610 5.389 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101207929 554677375 /nfs/dbraw/zinc/67/73/75/554677375.db2.gz CKXIUWLCPFUSTG-ANOKCIKSSA-N -1 3 536.678 6.364 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000101361443 554743037 /nfs/dbraw/zinc/74/30/37/554743037.db2.gz NKLBVNNNXBHBSV-TZIWHRDSSA-N -1 3 514.301 5.250 50 0 KKAAHM COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1OC ZINC000101362019 554743209 /nfs/dbraw/zinc/74/32/09/554743209.db2.gz BQDZAXVVFZTDEV-LJAQVGFWSA-N -1 3 552.590 7.106 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000101813826 554840010 /nfs/dbraw/zinc/84/00/10/554840010.db2.gz YXNUOXYASFBBCA-QFIPXVFZSA-N -1 3 538.714 5.216 50 0 KKAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[C@H](c2cccs2)C1 ZINC000101895527 554846951 /nfs/dbraw/zinc/84/69/51/554846951.db2.gz DOSPHPGRSCQGHM-VWLOTQADSA-N -1 3 560.104 6.739 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc(I)c1[O-] ZINC000102084860 554876250 /nfs/dbraw/zinc/87/62/50/554876250.db2.gz ZZBIKJGJJNREBG-QFIPXVFZSA-N -1 3 561.445 5.444 50 0 KKAAHM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1Cc1ccc(F)cc1 ZINC000102144668 554889024 /nfs/dbraw/zinc/88/90/24/554889024.db2.gz MZGGNCRWPNIPKO-UHFFFAOYSA-N -1 3 547.574 6.034 50 0 KKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000102462688 554935333 /nfs/dbraw/zinc/93/53/33/554935333.db2.gz QCBYAOIKIDMRAQ-UHFFFAOYSA-N -1 3 554.529 6.109 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102546403 554959365 /nfs/dbraw/zinc/95/93/65/554959365.db2.gz QBPQPBWTXZKNEU-FCEKVYKBSA-N -1 3 617.427 5.867 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102557654 554965663 /nfs/dbraw/zinc/96/56/63/554965663.db2.gz QRFDFRRFGPLMDF-IWWXRALLSA-N -1 3 570.601 6.119 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000102699545 555012419 /nfs/dbraw/zinc/01/24/19/555012419.db2.gz QJXDTMLOXINXMS-PWRODBHTSA-N -1 3 501.739 5.293 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000102700178 555012708 /nfs/dbraw/zinc/01/27/08/555012708.db2.gz APKLHLAVYDYDED-VWLOTQADSA-N -1 3 548.690 5.934 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102743713 555034766 /nfs/dbraw/zinc/03/47/66/555034766.db2.gz WESRLCLWSYRRLZ-TWJOJJKGSA-N -1 3 506.986 5.579 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 ZINC000102743869 555035025 /nfs/dbraw/zinc/03/50/25/555035025.db2.gz BUFVHZOLWAUEGK-SSBOKUKZSA-N -1 3 530.621 5.714 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102746574 555039106 /nfs/dbraw/zinc/03/91/06/555039106.db2.gz NVILDXNSTJZWOP-ZONZVBGPSA-N -1 3 508.505 5.096 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000102747756 555041453 /nfs/dbraw/zinc/04/14/53/555041453.db2.gz VTVNOTGYZLGYBT-FRXPANAUSA-N -1 3 504.586 5.934 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102749361 555043661 /nfs/dbraw/zinc/04/36/61/555043661.db2.gz UUZJMAIIODEPQS-JCYYIGJDSA-N -1 3 538.531 5.105 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102754278 555046093 /nfs/dbraw/zinc/04/60/93/555046093.db2.gz HSHCZSPOSYRBCV-JCYYIGJDSA-N -1 3 516.594 5.324 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000102761964 555052998 /nfs/dbraw/zinc/05/29/98/555052998.db2.gz WYUHGIYAMHANNI-YPAWHYETSA-N -1 3 513.775 5.162 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102768426 555056187 /nfs/dbraw/zinc/05/61/87/555056187.db2.gz ZAFDJCICHZAOBI-GMQQYTKMSA-N -1 3 515.396 6.712 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1cccs1)CCCC2 ZINC000102860634 555091023 /nfs/dbraw/zinc/09/10/23/555091023.db2.gz QDOVJPPZPYWNSY-RJGXRXQPSA-N -1 3 522.648 5.225 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102863256 555092808 /nfs/dbraw/zinc/09/28/08/555092808.db2.gz GXCHQBXNZCNSIZ-CCDWMCETSA-N -1 3 516.619 5.081 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102863263 555093331 /nfs/dbraw/zinc/09/33/31/555093331.db2.gz GXCHQBXNZCNSIZ-DSNGMDLFSA-N -1 3 516.619 5.081 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102886965 555117814 /nfs/dbraw/zinc/11/78/14/555117814.db2.gz DSEIGPOPWRCJTQ-KCIBBDPESA-N -1 3 599.539 7.610 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887037 555117866 /nfs/dbraw/zinc/11/78/66/555117866.db2.gz FFRCNKAHTCNNMI-NHKHRBQYSA-N -1 3 552.558 5.413 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102896676 555136559 /nfs/dbraw/zinc/13/65/59/555136559.db2.gz KNTBAPSEJMDMLH-ZONZVBGPSA-N -1 3 561.015 5.159 50 0 KKAAHM CCn1c(=O)c2c(nc1SCc1nc3c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-3)-c1ccccc1CC21CCCCC1 ZINC000102931921 555159417 /nfs/dbraw/zinc/15/94/17/555159417.db2.gz GMISJYJBLBBOKE-UHFFFAOYSA-N -1 3 604.820 7.901 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)c1c(Cl)cccc1Cl ZINC000102932514 555160040 /nfs/dbraw/zinc/16/00/40/555160040.db2.gz LCDCWNZSAABOBH-UHFFFAOYSA-N -1 3 524.857 6.300 50 0 KKAAHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1sc2cc(F)ccc2c1Cl ZINC000102939299 555168041 /nfs/dbraw/zinc/16/80/41/555168041.db2.gz GXECLQUNFWBTEZ-UHFFFAOYSA-N -1 3 529.829 7.054 50 0 KKAAHM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000102959485 555174990 /nfs/dbraw/zinc/17/49/90/555174990.db2.gz KXDVNFSMPZDMOY-LJQANCHMSA-N -1 3 582.103 5.533 50 0 KKAAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000102963617 555179482 /nfs/dbraw/zinc/17/94/82/555179482.db2.gz OXYFIRZNUSFDIT-UHFFFAOYSA-N -1 3 617.558 7.862 50 0 KKAAHM O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000102996433 555195964 /nfs/dbraw/zinc/19/59/64/555195964.db2.gz QWRUSZKJTMBJQT-UHFFFAOYSA-N -1 3 538.884 6.229 50 0 KKAAHM COc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1Cl ZINC000102996471 555196277 /nfs/dbraw/zinc/19/62/77/555196277.db2.gz YUVIKBRNSVFIEP-UHFFFAOYSA-N -1 3 614.507 6.381 50 0 KKAAHM Cc1ccc2c(CC(=O)Nc3ccc(N4CCCCC4)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)coc2c1 ZINC000103049988 555232164 /nfs/dbraw/zinc/23/21/64/555232164.db2.gz UGIQVXXHGGIUFF-UHFFFAOYSA-N -1 3 538.069 6.367 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(OC(F)F)cc1 ZINC000103049998 555232307 /nfs/dbraw/zinc/23/23/07/555232307.db2.gz GWQAXZJNJVLIPV-UHFFFAOYSA-N -1 3 536.000 5.985 50 0 KKAAHM COC(=O)c1sc2[n-]c(CSc3nnc(-c4ccc(Br)cc4)n3-c3cc(C)cc(C)c3)nc(=O)c2c1C ZINC000103087463 555266037 /nfs/dbraw/zinc/26/60/37/555266037.db2.gz GHILNBYWPVPUQR-UHFFFAOYSA-N -1 3 596.532 5.999 50 0 KKAAHM Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@@H](C)CCCC(C)C ZINC000103141066 555310413 /nfs/dbraw/zinc/31/04/13/555310413.db2.gz HZXQGJDMFJMLTB-QHCPKHFHSA-N -1 3 626.248 7.826 50 0 KKAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000104784455 571386194 /nfs/dbraw/zinc/38/61/94/571386194.db2.gz DEHVEXZFSINEGX-XPWALMASSA-N -1 3 589.273 5.415 50 0 KKAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000105906413 571409312 /nfs/dbraw/zinc/40/93/12/571409312.db2.gz BVHGOJINBRCZKA-YPAWHYETSA-N -1 3 530.886 5.197 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000106017528 571410511 /nfs/dbraw/zinc/41/05/11/571410511.db2.gz BXXVVYZUTAEBKP-TWJOJJKGSA-N -1 3 551.437 5.688 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106018612 571410534 /nfs/dbraw/zinc/41/05/34/571410534.db2.gz NUCJNZUNKZCLDI-IDZRBWSNSA-N -1 3 555.030 6.369 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000106017640 571410566 /nfs/dbraw/zinc/41/05/66/571410566.db2.gz GYJZEXAULJKPHL-JCYYIGJDSA-N -1 3 554.986 5.619 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106021133 571410892 /nfs/dbraw/zinc/41/08/92/571410892.db2.gz KDWRELCAWIZHRN-IDZRBWSNSA-N -1 3 555.030 6.369 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000106534721 571412718 /nfs/dbraw/zinc/41/27/18/571412718.db2.gz VSRIDIVLSKGWGY-OYUWMTPXSA-N -1 3 595.460 5.812 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000108448922 571424491 /nfs/dbraw/zinc/42/44/91/571424491.db2.gz RWMACTPOBXONMW-AREMUKBSSA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000108448920 571424561 /nfs/dbraw/zinc/42/45/61/571424561.db2.gz RWMACTPOBXONMW-SANMLTNESA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM O=C1C[C@@H](c2ccc(OCCc3ccc4c(c3)CCO4)cc2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108450992 571425479 /nfs/dbraw/zinc/42/54/79/571425479.db2.gz ZVTIZNGGKBTZOC-MHZLTWQESA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000136429937 571449315 /nfs/dbraw/zinc/44/93/15/571449315.db2.gz RUPCLJMTESUGJN-CCDWMCETSA-N -1 3 517.354 5.793 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000136636621 571449660 /nfs/dbraw/zinc/44/96/60/571449660.db2.gz LHOFLAMJQVVUJR-ISJGIBHGSA-N -1 3 515.363 5.760 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000137551837 571450456 /nfs/dbraw/zinc/45/04/56/571450456.db2.gz WYUHGIYAMHANNI-BHDDXSALSA-N -1 3 513.775 5.162 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000137853072 571450701 /nfs/dbraw/zinc/45/07/01/571450701.db2.gz YBRGIXYXKSSPOO-HZFUHODCSA-N -1 3 504.542 5.265 50 0 KKAAHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(Br)cc23)c1F ZINC000150339472 571457396 /nfs/dbraw/zinc/45/73/96/571457396.db2.gz UNMVKSILGFGKIZ-UHFFFAOYSA-N -1 3 631.282 6.455 50 0 KKAAHM CC(C)(C)CC(C)(C)c1cc([O-])c(Cc2c(O)cc(C(C)(C)CC(C)(C)C)cc2-n2nc3ccccc3n2)c(-n2nc3ccccc3n2)c1 ZINC000150348686 571461238 /nfs/dbraw/zinc/46/12/38/571461238.db2.gz ZRFPPIQVEQSFRV-UHFFFAOYSA-N -1 3 658.891 9.584 50 0 KKAAHM COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4c(C)n(C)n(-c5ccccc5)c4=O)c3)cc2)cc1 ZINC000150421935 571487898 /nfs/dbraw/zinc/48/78/98/571487898.db2.gz ZVJMXAVNOSDGNV-UHFFFAOYSA-N -1 3 646.125 5.452 50 0 KKAAHM CC1(C)C[C@@H](n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCC2)CCO1 ZINC000150428556 571492131 /nfs/dbraw/zinc/49/21/31/571492131.db2.gz WFPCACVQYOAFGR-NDEPHWFRSA-N -1 3 674.911 8.621 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000150436987 571496498 /nfs/dbraw/zinc/49/64/98/571496498.db2.gz DYHPUZLBYYJFMS-FCEKVYKBSA-N -1 3 646.437 5.570 50 0 KKAAHM O=S(=O)([N-]c1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccc2ccccc2c1 ZINC000150437980 571496812 /nfs/dbraw/zinc/49/68/12/571496812.db2.gz VIDZGLYUEXDWLM-UHFFFAOYSA-N -1 3 674.776 5.314 50 0 KKAAHM COc1ccccc1-n1c(=O)c2c(nc1SCc1nc3c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-3)-c1ccccc1CC21CCCCC1 ZINC000150451417 571502945 /nfs/dbraw/zinc/50/29/45/571502945.db2.gz PNOHHJGNOLFWNZ-UHFFFAOYSA-N -1 3 668.863 8.489 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccccc3)C(=O)N(c3cc(C)ccc3OC)C2=O)c1 ZINC000150458138 571505476 /nfs/dbraw/zinc/50/54/76/571505476.db2.gz OSFBPSDPYZQSDZ-UHFFFAOYSA-N -1 3 643.743 5.721 50 0 KKAAHM COc1cc([C@@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(=O)Nc4ccccc4N32)cc(Br)c1[O-] ZINC000150469184 571508666 /nfs/dbraw/zinc/50/86/66/571508666.db2.gz OUWWULQYXCMWFU-WJOKGBTCSA-N -1 3 712.626 7.855 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150479113 571511608 /nfs/dbraw/zinc/51/16/08/571511608.db2.gz PVUJLYMGAXUOOO-OAQYLSRUSA-N -1 3 676.102 8.524 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)N1N=C2C(=Cc3cccc(Cl)c3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000150683777 571529047 /nfs/dbraw/zinc/52/90/47/571529047.db2.gz PWDLJUBLRXKMDV-MROKNWPRSA-N -1 3 726.633 9.288 50 0 KKAAHM CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)cc1 ZINC000169683285 571558027 /nfs/dbraw/zinc/55/80/27/571558027.db2.gz PJASRMNOXOBXBZ-JUOAUGQZSA-N -1 3 658.821 5.260 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000169696528 571558807 /nfs/dbraw/zinc/55/88/07/571558807.db2.gz WRTRQZSWPGRWIC-FDFHNCONSA-N -1 3 654.142 5.787 50 0 KKAAHM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Br)cc2)cc1 ZINC000170620902 571562620 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ZINC000227028827 572148233 /nfs/dbraw/zinc/14/82/33/572148233.db2.gz JKEBFQKITFQNHM-YTCPBCGMSA-N -1 3 565.423 6.913 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1OC ZINC000227069492 572148968 /nfs/dbraw/zinc/14/89/68/572148968.db2.gz VSSSKKMRBGOJKO-JIMJEQGWSA-N -1 3 575.876 6.885 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227085243 572149758 /nfs/dbraw/zinc/14/97/58/572149758.db2.gz GYJZEXAULJKPHL-UPRLRBBYSA-N -1 3 554.986 5.619 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227236181 572151804 /nfs/dbraw/zinc/15/18/04/572151804.db2.gz CGUYSYHDJNQRAM-UPRLRBBYSA-N -1 3 572.976 5.758 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227246784 572152841 /nfs/dbraw/zinc/15/28/41/572152841.db2.gz KDWRELCAWIZHRN-FRXPANAUSA-N -1 3 555.030 6.369 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000227247155 572152947 /nfs/dbraw/zinc/15/29/47/572152947.db2.gz FHXQIRVYTMGMNN-CILKRHGOSA-N -1 3 583.446 6.989 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(F)(F)F)cc1)C[C@H](C(C)(C)C)CC2 ZINC000229891627 572165656 /nfs/dbraw/zinc/16/56/56/572165656.db2.gz KROIFPPGQFBDDD-SXEIHZRZSA-N -1 3 628.669 6.635 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229899412 572167169 /nfs/dbraw/zinc/16/71/69/572167169.db2.gz VAQHQBSKIMNHHU-OJDZSJEKSA-N -1 3 576.630 5.659 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000229936700 572171804 /nfs/dbraw/zinc/17/18/04/572171804.db2.gz XFELALQDBMLPHO-FRXPANAUSA-N -1 3 584.650 5.294 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000229944929 572172332 /nfs/dbraw/zinc/17/23/32/572172332.db2.gz BTHXBGCMBIWQBY-UPRLRBBYSA-N -1 3 563.437 7.093 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000229969236 572175462 /nfs/dbraw/zinc/17/54/62/572175462.db2.gz GXCHQBXNZCNSIZ-ISJGIBHGSA-N -1 3 516.619 5.081 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000229974220 572175967 /nfs/dbraw/zinc/17/59/67/572175967.db2.gz FXNTZKVFCSKVPN-UCDUTVGFSA-N -1 3 508.593 5.804 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000230013062 572178344 /nfs/dbraw/zinc/17/83/44/572178344.db2.gz YOVKUQJTLIWORX-ISJGIBHGSA-N -1 3 523.347 6.444 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000230019378 572178948 /nfs/dbraw/zinc/17/89/48/572178948.db2.gz UPDAUNONDMLKSA-ISJGIBHGSA-N -1 3 523.347 6.444 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000230189713 572184876 /nfs/dbraw/zinc/18/48/76/572184876.db2.gz KPQPZBXYSSOLFS-CTMYTVLESA-N -1 3 544.582 5.690 50 0 KKAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000238882028 572188479 /nfs/dbraw/zinc/18/84/79/572188479.db2.gz BVHGOJINBRCZKA-BHIFYINESA-N -1 3 530.886 5.197 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000245239929 572213479 /nfs/dbraw/zinc/21/34/79/572213479.db2.gz HHHGQMKDPJLJQV-WPQKMFINSA-N -1 3 515.544 5.077 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000245245133 572216861 /nfs/dbraw/zinc/21/68/61/572216861.db2.gz ABUTVTDZNVYOHY-IDZRBWSNSA-N -1 3 564.594 5.364 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000245246494 572219883 /nfs/dbraw/zinc/21/98/83/572219883.db2.gz MVJZENSCQPGAAN-ZONZVBGPSA-N -1 3 640.670 5.290 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247830 572221252 /nfs/dbraw/zinc/22/12/52/572221252.db2.gz YBBWWYMELMAGHI-UCDUTVGFSA-N -1 3 508.593 5.723 50 0 KKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245309102 572226976 /nfs/dbraw/zinc/22/69/76/572226976.db2.gz AZKFRKYWHBXYFA-PCEYSVKOSA-N -1 3 545.466 6.582 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245309384 572227468 /nfs/dbraw/zinc/22/74/68/572227468.db2.gz CKXIUWLCPFUSTG-ALBQUZEBSA-N -1 3 536.678 6.364 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000245309744 572227665 /nfs/dbraw/zinc/22/76/65/572227665.db2.gz FXNTZKVFCSKVPN-XTQYNZLPSA-N -1 3 508.593 5.804 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245310431 572228012 /nfs/dbraw/zinc/22/80/12/572228012.db2.gz JIKZPGGKQQGBMI-AGKKXDHOSA-N -1 3 546.026 5.981 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCC)c(OC)c2)cc1 ZINC000245311398 572229592 /nfs/dbraw/zinc/22/95/92/572229592.db2.gz OYEMGILYTNZQOA-MPFGFTFXSA-N -1 3 530.621 5.714 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000245312598 572229910 /nfs/dbraw/zinc/22/99/10/572229910.db2.gz WFPBKOUFZWTAQN-AOFBEVEVSA-N -1 3 528.583 6.072 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312635 572230294 /nfs/dbraw/zinc/23/02/94/572230294.db2.gz WRHSBJXEQMDBBO-GZNUUUAQSA-N -1 3 525.048 6.319 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000245325156 572231456 /nfs/dbraw/zinc/23/14/56/572231456.db2.gz CQUVIFAURCHYJI-MJSOWUPRSA-N -1 3 578.621 5.754 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411768 572287661 /nfs/dbraw/zinc/28/76/61/572287661.db2.gz PBUXVBGWWDWTBF-NDOVKIIASA-N -1 3 675.731 5.240 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253487243 572290366 /nfs/dbraw/zinc/29/03/66/572290366.db2.gz HFKVUXRQAYZYBS-ZAVXRQLCSA-N -1 3 681.586 7.755 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253487493 572290602 /nfs/dbraw/zinc/29/06/02/572290602.db2.gz LCKSGIXFRYZEAE-RDEHZVQUSA-N -1 3 637.135 7.646 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253487494 572290689 /nfs/dbraw/zinc/29/06/89/572290689.db2.gz LCKSGIXFRYZEAE-ZAVXRQLCSA-N -1 3 637.135 7.646 50 0 KKAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)nc(=O)c2c1C ZINC000102964827 1071054094 /nfs/dbraw/zinc/05/40/94/1071054094.db2.gz LQFSFVJHYFUOPQ-MHWRWJLKSA-N -1 3 574.442 5.496 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)Nc3ccc(C)cc3Br)cc2)cc1 ZINC000098053598 1072842473 /nfs/dbraw/zinc/84/24/73/1072842473.db2.gz XESDWEWAGKKWHT-NSIKDUERSA-N -1 3 501.402 5.219 50 0 KKAAHM COc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc(Br)c1[O-] ZINC000254740114 1072874264 /nfs/dbraw/zinc/87/42/64/1072874264.db2.gz JRWVOXWKPQAYDC-UHFFFAOYSA-N -1 3 528.453 5.829 50 0 KKAAHM O=C(NN=Cc1cc(Br)ccc1[O-])c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 ZINC000254767210 1072878268 /nfs/dbraw/zinc/87/82/68/1072878268.db2.gz YGBSEMWOIZCIOH-UHFFFAOYSA-N -1 3 500.352 5.232 50 0 KKAAHM Cc1cc(Br)c(OCc2ccc(C(=O)NN=Cc3cc(Br)ccc3[O-])cc2)c(Br)c1 ZINC000254897668 1072888906 /nfs/dbraw/zinc/88/89/06/1072888906.db2.gz NCVIDZFVLHYWPG-UHFFFAOYSA-N -1 3 597.101 6.331 50 0 KKAAHM 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CCOC(=O)c1sc2[n-]c(CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)nc(=O)c2c1C ZINC000003442027 552387713 /nfs/dbraw/zinc/38/77/13/552387713.db2.gz KIWPTBKQXJJGPX-UHFFFAOYSA-N -1 3 517.636 5.318 50 0 KKAAHM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nnc([N-]c3ccccc3F)s1)CC2 ZINC000003444319 552388046 /nfs/dbraw/zinc/38/80/46/552388046.db2.gz BFWIJSWKFDTDST-VWLOTQADSA-N -1 3 536.654 5.704 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656022 552404316 /nfs/dbraw/zinc/40/43/16/552404316.db2.gz HEYUXBBDDWDKEB-JOCHJYFZSA-N -1 3 506.352 5.324 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656072 552404544 /nfs/dbraw/zinc/40/45/44/552404544.db2.gz ITNRHVNAITWVLZ-HSZRJFAPSA-N -1 3 550.361 5.052 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000003670966 552412170 /nfs/dbraw/zinc/41/21/70/552412170.db2.gz ZQXAXHNEVALOJP-UHFFFAOYSA-N -1 3 579.000 6.446 50 0 KKAAHM CC(C)c1c(C(=O)Nc2ccccc2[O-])c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000003932205 552422821 /nfs/dbraw/zinc/42/28/21/552422821.db2.gz MNECBMZJZFGTIK-JWQCQUIFSA-N -1 3 556.634 6.499 50 0 in-vitro KKAAHM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(-n2[n-]c(N3CCOCC3)cc2=O)cc1 ZINC000004014815 552426271 /nfs/dbraw/zinc/42/62/71/552426271.db2.gz TYESTKMNARNONU-MHZLTWQESA-N -1 3 562.755 6.240 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCOCC4)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000004131119 552442167 /nfs/dbraw/zinc/44/21/67/552442167.db2.gz HZEBUZFKUZURRC-DHUJRADRSA-N -1 3 738.959 6.988 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)OCc2ccccc2)[n-]c1-c1[nH]c(C(=O)OCc2ccccc2)c(C)c1C(=O)OCC ZINC000005813034 552510190 /nfs/dbraw/zinc/51/01/90/552510190.db2.gz NSZBXNSAISNLAY-UHFFFAOYSA-N -1 3 572.614 5.694 50 0 KKAAHM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3cc(C(C)C)c(OC)cc3C)c2cc1OC ZINC000006038855 552520882 /nfs/dbraw/zinc/52/08/82/552520882.db2.gz ZUPNBJPWOBYRCC-UHFFFAOYSA-N -1 3 580.703 6.101 50 0 biogenic KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C)C2 ZINC000006599736 552601620 /nfs/dbraw/zinc/60/16/20/552601620.db2.gz YKTVXFABPDDAQC-ZDUSSCGKSA-N -1 3 607.452 6.793 50 0 KKAAHM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000008384398 552989267 /nfs/dbraw/zinc/98/92/67/552989267.db2.gz DXICSMUCKAHLBZ-UHFFFAOYSA-N -1 3 638.982 6.666 50 0 KKAAHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000008384644 552989885 /nfs/dbraw/zinc/98/98/85/552989885.db2.gz XSIQIIIDXJULLM-UHFFFAOYSA-N -1 3 648.590 6.335 50 0 KKAAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc5c(c4C(=O)OC(C)C)CCCC5)c(Br)c3n2)cc1 ZINC000008397161 552996368 /nfs/dbraw/zinc/99/63/68/552996368.db2.gz ACXPZSNIOHSXNI-UHFFFAOYSA-N -1 3 637.478 6.944 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Br)c(C(=O)OCC)c1C ZINC000008397114 552996378 /nfs/dbraw/zinc/99/63/78/552996378.db2.gz GWOKPYFXPABFTC-UHFFFAOYSA-N -1 3 704.319 6.916 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000008431300 553022891 /nfs/dbraw/zinc/02/28/91/553022891.db2.gz DVBWTVVQEMTQNT-HNNXBMFYSA-N -1 3 635.506 7.429 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccc(Br)cc43)cc2)cc1 ZINC000008442287 553043186 /nfs/dbraw/zinc/04/31/86/553043186.db2.gz YPABUGXSGWCCHB-UHFFFAOYSA-N -1 3 606.929 7.679 50 0 KKAAHM COc1ccc(OCc2cccc(Br)c2)c([C@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2OCc2ccccc2)c1 ZINC000008443563 553047026 /nfs/dbraw/zinc/04/70/26/553047026.db2.gz TZJQZMASMJIUHO-UMSFTDKQSA-N -1 3 743.452 8.290 50 0 KKAAHM CCCCCCc1cc(-c2nc(NC(=O)c3ccccc3)c(C(=O)OCC)nc2-c2ccccc2)c([O-])cc1O ZINC000008445207 553053631 /nfs/dbraw/zinc/05/36/31/553053631.db2.gz AFASTDBGOCRBQU-UHFFFAOYSA-N -1 3 539.632 6.774 50 0 KKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(I)c1OCc1ccccc1 ZINC000008450654 553059022 /nfs/dbraw/zinc/05/90/22/553059022.db2.gz SWHRCCCMGOWROR-ACCUITESSA-N -1 3 523.370 6.693 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c1Cl)CCC2 ZINC000008456797 553075015 /nfs/dbraw/zinc/07/50/15/553075015.db2.gz MOFKNCBUEBNBHB-UHFFFAOYSA-N -1 3 613.843 6.810 50 0 KKAAHM C=Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3cc(Br)ccc3OC)c2C(=O)[O-])cc1 ZINC000008593655 553086255 /nfs/dbraw/zinc/08/62/55/553086255.db2.gz YJYOWYVGKGMJAB-UHFFFAOYSA-N -1 3 519.439 6.400 50 0 KKAAHM CCOc1cc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000008595515 553088885 /nfs/dbraw/zinc/08/88/85/553088885.db2.gz FUTOZTYQOAOWBK-DEOSSOPVSA-N -1 3 524.802 6.347 50 0 aggregator KKAAHM CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)ccc1O ZINC000008595515 553088887 /nfs/dbraw/zinc/08/88/87/553088887.db2.gz FUTOZTYQOAOWBK-DEOSSOPVSA-N -1 3 524.802 6.347 50 0 aggregator KKAAHM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008686762 553115819 /nfs/dbraw/zinc/11/58/19/553115819.db2.gz VQXSNYFYZCZTJJ-UHFFFAOYSA-N -1 3 547.627 5.313 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCCC1)c1ccc(F)cc1Cl ZINC000008687394 553116609 /nfs/dbraw/zinc/11/66/09/553116609.db2.gz MPKPQSPRKPZNTH-UHFFFAOYSA-N -1 3 522.429 6.176 50 0 aggregator KKAAHM CCOc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccc(OC)cc2)ccc1O ZINC000008845177 553165554 /nfs/dbraw/zinc/16/55/54/553165554.db2.gz IUZRROWOSACPKR-HHHXNRCGSA-N -1 3 519.985 5.602 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008845395 553165603 /nfs/dbraw/zinc/16/56/03/553165603.db2.gz FSYIVWBPYJWLQX-GDLZYMKVSA-N -1 3 516.041 6.664 50 0 KKAAHM Cc1ccccc1-n1c(=O)c2cc(Br)ccc2nc1/C=C/c1cc(Br)ccc1[O-] ZINC000009076196 553207660 /nfs/dbraw/zinc/20/76/60/553207660.db2.gz ZHRBVERCUMFKDH-IZZDOVSWSA-N -1 3 512.201 6.095 50 0 KKAAHM Cc1c(Cl)cccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000009559581 553280100 /nfs/dbraw/zinc/28/01/00/553280100.db2.gz GPWQTSMDOSNHSG-KRWDZBQOSA-N -1 3 513.866 5.001 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679082 553295976 /nfs/dbraw/zinc/29/59/76/553295976.db2.gz AMGUFBQVVLNPJB-RUZDIDTESA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679082 553295977 /nfs/dbraw/zinc/29/59/77/553295977.db2.gz AMGUFBQVVLNPJB-RUZDIDTESA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679081 553296084 /nfs/dbraw/zinc/29/60/84/553296084.db2.gz RUUVYLPIECKMRW-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679081 553296085 /nfs/dbraw/zinc/29/60/85/553296085.db2.gz RUUVYLPIECKMRW-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM COC(=O)c1ccc([C@@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679185 553296092 /nfs/dbraw/zinc/29/60/92/553296092.db2.gz VQWXKMXFCKBNMN-XMMPIXPASA-N -1 3 502.368 5.684 50 0 KKAAHM COC(=O)c1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679185 553296093 /nfs/dbraw/zinc/29/60/93/553296093.db2.gz VQWXKMXFCKBNMN-XMMPIXPASA-N -1 3 502.368 5.684 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679274 553296125 /nfs/dbraw/zinc/29/61/25/553296125.db2.gz IFIGFXCQGIDRPJ-VWLOTQADSA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679274 553296126 /nfs/dbraw/zinc/29/61/26/553296126.db2.gz IFIGFXCQGIDRPJ-VWLOTQADSA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679359 553296312 /nfs/dbraw/zinc/29/63/12/553296312.db2.gz YSKNKTYHIUFWBP-HHHXNRCGSA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679359 553296314 /nfs/dbraw/zinc/29/63/14/553296314.db2.gz YSKNKTYHIUFWBP-HHHXNRCGSA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679429 553296325 /nfs/dbraw/zinc/29/63/25/553296325.db2.gz AEKVUQJTZUIHFH-LJAQVGFWSA-N -1 3 509.606 6.525 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009679429 553296327 /nfs/dbraw/zinc/29/63/27/553296327.db2.gz AEKVUQJTZUIHFH-LJAQVGFWSA-N -1 3 509.606 6.525 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679313 553296371 /nfs/dbraw/zinc/29/63/71/553296371.db2.gz VDMWHSFQQCMILN-VWLOTQADSA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679313 553296372 /nfs/dbraw/zinc/29/63/72/553296372.db2.gz VDMWHSFQQCMILN-VWLOTQADSA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679310 553296377 /nfs/dbraw/zinc/29/63/77/553296377.db2.gz VDMWHSFQQCMILN-RUZDIDTESA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679310 553296379 /nfs/dbraw/zinc/29/63/79/553296379.db2.gz VDMWHSFQQCMILN-RUZDIDTESA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679346 553296394 /nfs/dbraw/zinc/29/63/94/553296394.db2.gz SHDQTOBEEIWHEU-HHHXNRCGSA-N -1 3 513.550 5.029 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679346 553296395 /nfs/dbraw/zinc/29/63/95/553296395.db2.gz SHDQTOBEEIWHEU-HHHXNRCGSA-N -1 3 513.550 5.029 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1 ZINC000012570257 553398256 /nfs/dbraw/zinc/39/82/56/553398256.db2.gz VRYWFGBFQFAYLO-UHFFFAOYSA-N -1 3 500.620 5.965 50 0 KKAAHM O=C(/C=C/c1cccs1)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000012659083 553411329 /nfs/dbraw/zinc/41/13/29/553411329.db2.gz RZZVEKVEUXHYMX-JLHYYAGUSA-N -1 3 502.061 5.845 50 0 KKAAHM CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000013096522 553446452 /nfs/dbraw/zinc/44/64/52/553446452.db2.gz NMTPCPVOCQEFRO-UHFFFAOYSA-N -1 3 500.546 5.439 50 0 KKAAHM COc1ccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccccc4)C[C@@]3([O-])C(F)(F)F)n2)cc1OC ZINC000013642941 553479363 /nfs/dbraw/zinc/47/93/63/553479363.db2.gz KRAFWQOZWKGBBF-OAQYLSRUSA-N -1 3 512.410 5.045 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013759029 553488571 /nfs/dbraw/zinc/48/85/71/553488571.db2.gz KJVIXBVZEXEVAM-NJDAHSKKSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000013778711 553490173 /nfs/dbraw/zinc/49/01/73/553490173.db2.gz ODGNBOYPZLPWND-DSNGMDLFSA-N -1 3 505.357 6.305 50 0 KKAAHM O=C(CCCSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014360817 553514162 /nfs/dbraw/zinc/51/41/62/553514162.db2.gz BFJMRFGDWVDTRV-UHFFFAOYSA-N -1 3 501.630 5.747 50 0 KKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc4cccc5c4c3CC5)cc2)n1 ZINC000017013855 553586549 /nfs/dbraw/zinc/58/65/49/553586549.db2.gz VLLPRFWZHWVENQ-UHFFFAOYSA-N -1 3 507.619 6.325 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2cccc(Oc4ccccc4)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017014928 553586560 /nfs/dbraw/zinc/58/65/60/553586560.db2.gz SAFWFWNEQATUHR-GDLZYMKVSA-N -1 3 522.992 6.677 50 0 KKAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1C ZINC000017307006 553593036 /nfs/dbraw/zinc/59/30/36/553593036.db2.gz GNTWHJLAWSQWOX-UHFFFAOYSA-N -1 3 503.628 6.089 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OCC(C)C ZINC000079189441 553667418 /nfs/dbraw/zinc/66/74/18/553667418.db2.gz QXVWOVQSHVACBO-XURYWTMJSA-N -1 3 550.648 6.358 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2cccc4c2n(c1=O)CC4)CC(=O)O3 ZINC000079190706 553667599 /nfs/dbraw/zinc/66/75/99/553667599.db2.gz PXAHRZCBDVPHEA-CJRAMENUSA-N -1 3 541.600 5.186 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2cccc4c2n(c1=O)CC4)CC(=O)O3 ZINC000079190697 553667783 /nfs/dbraw/zinc/66/77/83/553667783.db2.gz PXAHRZCBDVPHEA-ZXYVZMDFSA-N -1 3 541.600 5.186 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 ZINC000079192430 553668333 /nfs/dbraw/zinc/66/83/33/553668333.db2.gz IOTMUZMRGHPKRE-QWWUCYJYSA-N -1 3 515.562 5.157 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2c(c(Cl)c1)OCO2)CC(=O)O3 ZINC000079192800 553668650 /nfs/dbraw/zinc/66/86/50/553668650.db2.gz LWSHBAYMXIBTQB-QQZAIKGPSA-N -1 3 526.969 5.697 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C ZINC000079192703 553668684 /nfs/dbraw/zinc/66/86/84/553668684.db2.gz JXICOOKDANHSCM-CNOUNZLZSA-N -1 3 536.621 6.111 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C ZINC000079195978 553669288 /nfs/dbraw/zinc/66/92/88/553669288.db2.gz UDIQUFLIKJQJJD-CNOUNZLZSA-N -1 3 536.621 6.111 50 0 KKAAHM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079195785 553669302 /nfs/dbraw/zinc/66/93/02/553669302.db2.gz PPTKLYXZYIJXTH-YXPIPHOMSA-N -1 3 506.551 5.102 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000095346123 553701119 /nfs/dbraw/zinc/70/11/19/553701119.db2.gz NVILDXNSTJZWOP-VJGNERBWSA-N -1 3 508.505 5.096 50 0 KKAAHM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852766 553761591 /nfs/dbraw/zinc/76/15/91/553761591.db2.gz AWFFFWXEDQYTNV-SANMLTNESA-N -1 3 574.548 6.064 50 0 KKAAHM O=C(c1ccccc1)C1=C(Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000027016850 553823187 /nfs/dbraw/zinc/82/31/87/553823187.db2.gz PMTXGVBITKHZLP-HFHHFCCKSA-N -1 3 511.283 5.657 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000097954868 553826079 /nfs/dbraw/zinc/82/60/79/553826079.db2.gz COURBZJPRAMGCV-NXCFDTQHSA-N -1 3 529.390 5.662 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(I)c1[O-] ZINC000029493050 553846172 /nfs/dbraw/zinc/84/61/72/553846172.db2.gz FODPZXXULCPGFD-FRKPEAEDSA-N -1 3 533.746 5.425 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000029748999 553850759 /nfs/dbraw/zinc/85/07/59/553850759.db2.gz BMYXXDGYQVFRLU-QFIPXVFZSA-N -1 3 615.230 5.506 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)c(C)c1 ZINC000032974785 553883712 /nfs/dbraw/zinc/88/37/12/553883712.db2.gz RWYRMWXLKXDMAF-UHFFFAOYSA-N -1 3 517.586 5.514 50 0 KKAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cc(C)ccc5C)cc4)cn3)n2)cc1 ZINC000032974756 553883736 /nfs/dbraw/zinc/88/37/36/553883736.db2.gz WKYYGUQAPDUJLF-UHFFFAOYSA-N -1 3 515.595 5.075 50 0 KKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)c1 ZINC000032974749 553883822 /nfs/dbraw/zinc/88/38/22/553883822.db2.gz BBMFUAANOQXVKA-UHFFFAOYSA-N -1 3 503.559 5.205 50 0 KKAAHM CCOC(=O)c1ccc(-n2c(/C=C/c3cc(Br)ccc3[O-])nc3ccc(I)cc3c2=O)cc1 ZINC000097966693 553909691 /nfs/dbraw/zinc/90/96/91/553909691.db2.gz GJYVPJFITGUTHV-LFYBBSHMSA-N -1 3 617.237 5.806 50 0 KKAAHM CCOc1ccc2nc(NC(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)sc2c1 ZINC000033356110 553939409 /nfs/dbraw/zinc/93/94/09/553939409.db2.gz NVZNVWQYGOPTRX-UHFFFAOYSA-N -1 3 558.545 5.242 50 0 KKAAHM CCOC([O-])=NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000097979858 553983068 /nfs/dbraw/zinc/98/30/68/553983068.db2.gz OFUMJROVQYFOMP-QDDTUJKSSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)[N-]C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000097979858 553983069 /nfs/dbraw/zinc/98/30/69/553983069.db2.gz OFUMJROVQYFOMP-QDDTUJKSSA-N -1 3 544.604 5.542 50 0 KKAAHM O=C1c2ccccc2C(=CNc2ccc(Br)cc2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000097980461 553988586 /nfs/dbraw/zinc/98/85/86/553988586.db2.gz KTPHXTMZNBJTRM-JJIBRWJFSA-N -1 3 592.446 6.029 50 0 KKAAHM CC(C)(C)P(=NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)(N1CCCCCC1)N1CCCCCC1 ZINC000097983714 554011249 /nfs/dbraw/zinc/01/12/49/554011249.db2.gz QEOYGIQWRMQCPY-UHFFFAOYSA-N -1 3 624.257 8.419 50 0 KKAAHM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1cccc(C(=O)Nc2c3ccccc3oc2C(=O)OCC)n1 ZINC000097985311 554022476 /nfs/dbraw/zinc/02/24/76/554022476.db2.gz HUMUDTSFMPYQKQ-UHFFFAOYSA-N -1 3 541.516 5.432 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000097986538 554024935 /nfs/dbraw/zinc/02/49/35/554024935.db2.gz BFNUSLZUMZHWRI-UHFFFAOYSA-N -1 3 543.892 5.345 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Br)co2)s1)c1cccs1 ZINC000097990881 554029725 /nfs/dbraw/zinc/02/97/25/554029725.db2.gz YBQCZJVLRXPQEW-UHFFFAOYSA-N -1 3 550.437 5.079 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Br)cc3)co2)s1)c1cccs1 ZINC000097990883 554029876 /nfs/dbraw/zinc/02/98/76/554029876.db2.gz PKNADVPWPKNZGW-UHFFFAOYSA-N -1 3 550.437 5.079 50 0 KKAAHM Cc1nn(-c2ccccc2)c2c1[C@H](c1cc([O-])ccc1Br)N1c3ccccc3N=C(Nc3ccc(Br)cc3)C1=N2 ZINC000097999768 554045626 /nfs/dbraw/zinc/04/56/26/554045626.db2.gz VAWFVNAFSQKSNH-NDEPHWFRSA-N -1 3 654.366 8.207 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1cccc(Br)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000098008443 554067591 /nfs/dbraw/zinc/06/75/91/554067591.db2.gz JBGPXVAJRGZCSL-NJDAHSKKSA-N -1 3 562.645 5.916 50 0 KKAAHM Cc1ccc2nc(NC(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)sc2c1 ZINC000098009617 554069767 /nfs/dbraw/zinc/06/97/67/554069767.db2.gz JNGPUZFFKGLIHW-UHFFFAOYSA-N -1 3 528.519 5.152 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3cccc(C)c3)[C@H](C)C(C)C)c2)cc1 ZINC000035946418 554103263 /nfs/dbraw/zinc/10/32/63/554103263.db2.gz LSROLLMBVOAKLZ-JOCHJYFZSA-N -1 3 523.699 5.557 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccco3)C(=O)c3cccc(C)c3)c2)cc1 ZINC000098020170 554117152 /nfs/dbraw/zinc/11/71/52/554117152.db2.gz AMFSMURHZILOKV-UHFFFAOYSA-N -1 3 533.650 5.306 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccccc3Cl)[C@H](C)c3ccccc3)c2)cc1 ZINC000098020193 554117488 /nfs/dbraw/zinc/11/74/88/554117488.db2.gz BMHGABDJGVYARK-JOCHJYFZSA-N -1 3 578.134 6.619 50 0 KKAAHM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)F)cc1[O-] ZINC000098044988 554130111 /nfs/dbraw/zinc/13/01/11/554130111.db2.gz WZRMLSIYQSQNGI-QFIPXVFZSA-N -1 3 554.625 7.402 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1cccc(Br)c1)c1ccccc1OCc1ccccc1 ZINC000098045875 554134138 /nfs/dbraw/zinc/13/41/38/554134138.db2.gz ZMFCFUJHYWOMSI-AREMUKBSSA-N -1 3 654.302 6.544 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000098046748 554143088 /nfs/dbraw/zinc/14/30/88/554143088.db2.gz SSCIQPUMULPQKS-QFIPXVFZSA-N -1 3 601.247 5.786 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065339 554199494 /nfs/dbraw/zinc/19/94/94/554199494.db2.gz ONYKOVWHVPMPEP-IAPPQJPRSA-N -1 3 565.501 5.494 50 0 KKAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206572 554202252 /nfs/dbraw/zinc/20/22/52/554202252.db2.gz KGCPJHAHMBIRDR-JOCHJYFZSA-N -1 3 503.668 5.399 50 0 KKAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206573 554202266 /nfs/dbraw/zinc/20/22/66/554202266.db2.gz KGCPJHAHMBIRDR-QFIPXVFZSA-N -1 3 503.668 5.399 50 0 KKAAHM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4cc(NC(=O)C(C)C)ccc42)CC3)cc1 ZINC000036358850 554224057 /nfs/dbraw/zinc/22/40/57/554224057.db2.gz WPWMAIMICNJEOG-XMMPIXPASA-N -1 3 504.612 5.079 50 0 KKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000100208460 554248622 /nfs/dbraw/zinc/24/86/22/554248622.db2.gz YSNVCRQLJRUZRP-ZLNRFVROSA-N -1 3 511.803 5.770 50 0 KKAAHM O=C([O-])[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100229745 554255064 /nfs/dbraw/zinc/25/50/64/554255064.db2.gz KYRBORKOTDYTSJ-QNGWXLTQSA-N -1 3 610.754 7.730 50 0 KKAAHM CCOc1ccc2nc([N-]C(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)sc2c1 ZINC000040322953 554283142 /nfs/dbraw/zinc/28/31/42/554283142.db2.gz ALWUEOWYDZLXRY-UHFFFAOYSA-N -1 3 507.387 5.136 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1cc(C)ccc1C(C)(C)C ZINC000045796255 554311566 /nfs/dbraw/zinc/31/15/66/554311566.db2.gz PCVYTOMEEDGIJY-LSYYVWMOSA-N -1 3 514.691 6.763 50 0 KKAAHM CCOC(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c(C(=O)OCC)c1C ZINC000059603093 554409359 /nfs/dbraw/zinc/40/93/59/554409359.db2.gz BQSCYUCNGGFJOK-UHFFFAOYSA-N -1 3 589.761 5.945 50 0 KKAAHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)cc2)cc1 ZINC000059630837 554416312 /nfs/dbraw/zinc/41/63/12/554416312.db2.gz RNHYXIAPCUCLIT-UHFFFAOYSA-N -1 3 586.091 5.227 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1 ZINC000059651302 554418335 /nfs/dbraw/zinc/41/83/35/554418335.db2.gz OKTRXTWIXCESBX-SSEXGKCCSA-N -1 3 573.696 5.523 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000100596612 554430000 /nfs/dbraw/zinc/43/00/00/554430000.db2.gz FYWJWWQPWRZLQL-HUUCEWRRSA-N -1 3 602.994 6.312 50 0 KKAAHM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000060164711 554502436 /nfs/dbraw/zinc/50/24/36/554502436.db2.gz HJLHLHBRYSPDCC-RUZDIDTESA-N -1 3 599.514 6.062 50 0 KKAAHM CC[C@@H](C(=O)N1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000100889126 554510370 /nfs/dbraw/zinc/51/03/70/554510370.db2.gz COJDIMDMDQPZHP-MUUNZHRXSA-N -1 3 576.763 5.202 50 0 KKAAHM O=C(c1ccco1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101036520 554565491 /nfs/dbraw/zinc/56/54/91/554565491.db2.gz 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/nfs/dbraw/zinc/41/07/79/571410779.db2.gz ONBXBWJKOBDODI-FDFHNCONSA-N -1 3 552.439 5.565 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000106020897 571410865 /nfs/dbraw/zinc/41/08/65/571410865.db2.gz KNTBAPSEJMDMLH-GMQQYTKMSA-N -1 3 561.015 5.159 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000106021169 571410948 /nfs/dbraw/zinc/41/09/48/571410948.db2.gz GWKJFVPKSTWKQX-IDZRBWSNSA-N -1 3 582.584 5.503 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000136347783 571449372 /nfs/dbraw/zinc/44/93/72/571449372.db2.gz LDFOLHSLSBNNIK-RJGXRXQPSA-N -1 3 516.903 5.809 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000137813247 571450677 /nfs/dbraw/zinc/45/06/77/571450677.db2.gz QYSPWHCQALCUAM-ISJGIBHGSA-N -1 3 505.357 6.305 50 0 KKAAHM CN(C)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000138672610 571451809 /nfs/dbraw/zinc/45/18/09/571451809.db2.gz ULTDZXNXCGCCHO-RJGXRXQPSA-N -1 3 515.919 5.476 50 0 KKAAHM O=C(Oc1ccc(C(=O)C(=C([O-])c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362590 571463982 /nfs/dbraw/zinc/46/39/82/571463982.db2.gz VRTHGOXJQXSJGT-HKBQPEDESA-N -1 3 747.241 10.895 50 0 KKAAHM CCOc1nn(-c2ccc(NC(=O)COc3ccc(C(C)(C)CC)cc3C(C)(C)CC)cc2)c([O-])c1Sc1nnnn1-c1ccccc1 ZINC000150390427 571472765 /nfs/dbraw/zinc/47/27/65/571472765.db2.gz LHJWGDNBXPSCKP-WJOKGBTCSA-N -1 3 669.852 6.913 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c(C(=O)N3CCCCC3)c2)cc1 ZINC000150414459 571485135 /nfs/dbraw/zinc/48/51/35/571485135.db2.gz SPFWQQOTDCPIEH-UHFFFAOYSA-N -1 3 643.732 6.185 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000150435951 571496051 /nfs/dbraw/zinc/49/60/51/571496051.db2.gz DILHFHRBZIUKFJ-UHFFFAOYSA-N -1 3 631.585 8.252 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000150457930 571505295 /nfs/dbraw/zinc/50/52/95/571505295.db2.gz ZZQYLMHTSYNUID-UHFFFAOYSA-N -1 3 635.670 5.683 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150465799 571507931 /nfs/dbraw/zinc/50/79/31/571507931.db2.gz LCKSGIXFRYZEAE-GEHWIAFRSA-N -1 3 637.135 7.646 50 0 KKAAHM COc1cc([C@H]2c3c(C)nn(-c4ccc(S(=O)(=O)c5ccc(C(C)C)cc5)cc4)c3N=C3C(=O)Nc4ccccc4N32)cc(Br)c1[O-] ZINC000150469192 571508709 /nfs/dbraw/zinc/50/87/09/571508709.db2.gz OUWWULQYXCMWFU-HKBQPEDESA-N -1 3 712.626 7.855 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150471552 571509564 /nfs/dbraw/zinc/50/95/64/571509564.db2.gz HEXRAFKDTQBYCB-UHFFFAOYSA-N -1 3 660.243 8.844 50 0 KKAAHM COc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2[C@@H](C)CCCC(C)C)cc1Cl ZINC000150478613 571511379 /nfs/dbraw/zinc/51/13/79/571511379.db2.gz IZTVLGBPZIOWIM-NRFANRHFSA-N -1 3 676.692 8.179 50 0 KKAAHM COc1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2[C@H](C)CCCC(C)C)cc1Cl ZINC000150478612 571511446 /nfs/dbraw/zinc/51/14/46/571511446.db2.gz IZTVLGBPZIOWIM-OAQYLSRUSA-N -1 3 676.692 8.179 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)cc4)nc4ccccc43)c(NC(=O)c3cc(-c4ccc(C)cc4)nc4ccccc43)c2)cc1 ZINC000150481894 571512896 /nfs/dbraw/zinc/51/28/96/571512896.db2.gz CSOGMQMRZXZROT-UHFFFAOYSA-N -1 3 783.910 10.048 50 0 KKAAHM O=C([N-][C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150574332 571521583 /nfs/dbraw/zinc/52/15/83/571521583.db2.gz SYIIDAWLFNOQSV-KBPBESRZSA-N -1 3 672.050 5.933 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc(Br)c1O ZINC000150644416 571525071 /nfs/dbraw/zinc/52/50/71/571525071.db2.gz PQKAJLOJBQUIGA-INLHRRLZSA-N -1 3 683.621 6.604 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226813848 572142019 /nfs/dbraw/zinc/14/20/19/572142019.db2.gz JWKRFLWMYGXAHP-ZGIBFIJWSA-N -1 3 530.621 5.714 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226823939 572142853 /nfs/dbraw/zinc/14/28/53/572142853.db2.gz VMRLDZUTROYXCR-UPRLRBBYSA-N -1 3 516.594 5.324 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226917637 572145342 /nfs/dbraw/zinc/14/53/42/572145342.db2.gz AXWGVJBZYGTVMO-ZGIBFIJWSA-N -1 3 534.568 5.274 50 0 KKAAHM O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226983127 572146727 /nfs/dbraw/zinc/14/67/27/572146727.db2.gz HYVPREUZPFQWON-NJDAHSKKSA-N -1 3 582.863 5.366 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227241845 572152142 /nfs/dbraw/zinc/15/21/42/572152142.db2.gz DCSMQSUQPJLMAR-UPRLRBBYSA-N -1 3 607.421 6.411 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000227245327 572152738 /nfs/dbraw/zinc/15/27/38/572152738.db2.gz UXFKNZYGKMLBPR-OWHBQTKESA-N -1 3 564.638 6.114 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229865399 572162350 /nfs/dbraw/zinc/16/23/50/572162350.db2.gz JSTBIZGEHTYPEI-OYUWMTPXSA-N -1 3 595.460 5.812 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000229902429 572168008 /nfs/dbraw/zinc/16/80/08/572168008.db2.gz BHAUNPDRZCCCNU-TXQUNOLYSA-N -1 3 531.439 6.254 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000229968006 572174599 /nfs/dbraw/zinc/17/45/99/572174599.db2.gz XTRNVABMZXBDQI-YTFSRNRJSA-N -1 3 557.455 5.771 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000229984410 572176479 /nfs/dbraw/zinc/17/64/79/572176479.db2.gz XECHRCZXJANQFM-RBZQAINGSA-N -1 3 504.373 5.901 50 0 KKAAHM Cc1cccc2c1NC(=O)[C@@]21C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230020539 572179222 /nfs/dbraw/zinc/17/92/22/572179222.db2.gz JRJCDJXJYQTVKJ-GXQHJZMOSA-N -1 3 532.427 5.316 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000230034525 572180686 /nfs/dbraw/zinc/18/06/86/572180686.db2.gz SCCKIMDCSYGQJK-ISJGIBHGSA-N -1 3 537.410 5.298 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(Br)c2)cc1 ZINC000230032827 572180731 /nfs/dbraw/zinc/18/07/31/572180731.db2.gz YLUNISOTQNJPEO-RBZQAINGSA-N -1 3 525.374 5.428 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245239927 572213471 /nfs/dbraw/zinc/21/34/71/572213471.db2.gz HHHGQMKDPJLJQV-QNNAYCHJSA-N -1 3 515.544 5.077 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245239905 572213586 /nfs/dbraw/zinc/21/35/86/572213586.db2.gz GXIJCBIMSSQPFG-ALBQUZEBSA-N -1 3 537.040 6.258 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245245206 572217320 /nfs/dbraw/zinc/21/73/20/572217320.db2.gz BWEQFPMJXCVAOS-XTQYNZLPSA-N -1 3 559.493 6.972 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245309139 572227063 /nfs/dbraw/zinc/22/70/63/572227063.db2.gz BOVVKZHOTIIIKU-SSBOKUKZSA-N -1 3 534.568 5.356 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000245309774 572227514 /nfs/dbraw/zinc/22/75/14/572227514.db2.gz GFWSHDWZDDBACX-ALBQUZEBSA-N -1 3 517.610 5.389 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310077 572228068 /nfs/dbraw/zinc/22/80/68/572228068.db2.gz HFRUBRGONLVFPZ-OLBUMSFYSA-N -1 3 539.635 5.945 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245310384 572228138 /nfs/dbraw/zinc/22/81/38/572228138.db2.gz IPYLSQHNZKETOM-DYIKCSJPSA-N -1 3 548.595 5.746 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000245312843 572230331 /nfs/dbraw/zinc/23/03/31/572230331.db2.gz XVOPXTZPMAYANC-JCYYIGJDSA-N -1 3 504.542 5.265 50 0 KKAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]12 ZINC000247903740 572248957 /nfs/dbraw/zinc/24/89/57/572248957.db2.gz LKLZRYIWPSGWBV-LXEATBNUSA-N -1 3 518.400 5.008 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248242490 572256862 /nfs/dbraw/zinc/25/68/62/572256862.db2.gz FNDYDIKFWGWYQF-ZQOCDUSVSA-N -1 3 536.628 5.292 50 0 KKAAHM COc1cc(Br)c(Br)c(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1[O-] ZINC000252642968 572272475 /nfs/dbraw/zinc/27/24/75/572272475.db2.gz ZSDXCPUYNWBPBA-UHFFFAOYSA-N -1 3 585.260 6.044 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000253381938 572282477 /nfs/dbraw/zinc/28/24/77/572282477.db2.gz GKISSFMKIWYFDS-AQWTWLKTSA-N -1 3 517.412 5.864 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410307 572287331 /nfs/dbraw/zinc/28/73/31/572287331.db2.gz NETKSSSITQZGER-JXSYCYSGSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411770 572287688 /nfs/dbraw/zinc/28/76/88/572287688.db2.gz PBUXVBGWWDWTBF-QRRWFCJLSA-N -1 3 675.731 5.240 50 0 KKAAHM COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413192 572288380 /nfs/dbraw/zinc/28/83/80/572288380.db2.gz UCICMEZSJCENSS-CYFIQEHSSA-N -1 3 703.741 5.002 50 0 KKAAHM O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1cc(Br)ccc1[O-] ZINC000254877119 1072888468 /nfs/dbraw/zinc/88/84/68/1072888468.db2.gz DAYHZJJYMMKBOX-UHFFFAOYSA-N -1 3 529.894 5.194 50 0 KKAAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(C(=O)OC)c1C ZINC000000668467 551518199 /nfs/dbraw/zinc/51/81/99/551518199.db2.gz QXDHDKPYDDRUAZ-UHFFFAOYSA-N -1 3 524.426 5.848 50 0 KKAAHM CCOc1ccc(Br)c([C@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccccc2OCC)c1 ZINC000000670602 551518962 /nfs/dbraw/zinc/51/89/62/551518962.db2.gz CSQRCDPDOWQPLC-QHCPKHFHSA-N -1 3 510.388 5.158 50 0 KKAAHM CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccccc2OCC)c1 ZINC000000670604 551518994 /nfs/dbraw/zinc/51/89/94/551518994.db2.gz CSQRCDPDOWQPLC-HSZRJFAPSA-N -1 3 510.388 5.158 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Br)CCC2 ZINC000000688921 551526393 /nfs/dbraw/zinc/52/63/93/551526393.db2.gz OMGZJZKUOYJWOX-UHFFFAOYSA-N -1 3 585.427 6.218 50 0 KKAAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4ccc(F)cc4F)c(Cl)c3n2)cc1OC ZINC000000848650 551549715 /nfs/dbraw/zinc/54/97/15/551549715.db2.gz RVLJNZWSKNTQSR-UHFFFAOYSA-N -1 3 512.822 5.616 50 0 KKAAHM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Br)cc2)cc1 ZINC000001100719 551608667 /nfs/dbraw/zinc/60/86/67/551608667.db2.gz ZQXSEUNMRRKKLC-NXCFDTQHSA-N -1 3 557.400 5.440 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)cc2)c(C)c1 ZINC000001200944 551623298 /nfs/dbraw/zinc/62/32/98/551623298.db2.gz XMEJADZXSCZICI-UHFFFAOYSA-N -1 3 520.676 6.189 50 0 KKAAHM O=C([N-]c1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Br)o1 ZINC000001273744 551635302 /nfs/dbraw/zinc/63/53/02/551635302.db2.gz JINOVAIEWWEFOW-UHFFFAOYSA-N -1 3 587.455 6.073 50 0 KKAAHM Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000001788297 551701134 /nfs/dbraw/zinc/70/11/34/551701134.db2.gz NWOAUXCCHVLVKI-UHFFFAOYSA-N -1 3 532.669 6.105 50 0 KKAAHM COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001819377 551708466 /nfs/dbraw/zinc/70/84/66/551708466.db2.gz YXSNDKSEHJAFRQ-UHFFFAOYSA-N -1 3 562.695 6.195 50 0 KKAAHM Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])c5c(n(Cc6ccco6)c4=O)CCCC5)cc3)sc2c1 ZINC000001823391 551709325 /nfs/dbraw/zinc/70/93/25/551709325.db2.gz LQIIEHHBRKMQHJ-UHFFFAOYSA-N -1 3 511.603 5.911 50 0 KKAAHM CCCCn1c([N-]C(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000001885124 551725270 /nfs/dbraw/zinc/72/52/70/551725270.db2.gz CTIYASKBRHCBKG-UHFFFAOYSA-N -1 3 567.465 6.134 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000001899303 551729992 /nfs/dbraw/zinc/72/99/92/551729992.db2.gz UJKPEIUPKIPDQJ-RWSKJCERSA-N -1 3 562.622 6.136 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000001901221 551731058 /nfs/dbraw/zinc/73/10/58/551731058.db2.gz DSEIGPOPWRCJTQ-UUQNIDNHSA-N -1 3 599.539 7.610 50 0 KKAAHM CCCCCCSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000002073916 551748295 /nfs/dbraw/zinc/74/82/95/551748295.db2.gz CBYJNFASDSMHKF-QHCPKHFHSA-N -1 3 512.433 5.583 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C)C2 ZINC000002084006 551753884 /nfs/dbraw/zinc/75/38/84/551753884.db2.gz WABJPOZTMJSOMD-SNVBAGLBSA-N -1 3 599.454 6.464 50 0 KKAAHM CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(Br)c1[O-] ZINC000002087013 551756575 /nfs/dbraw/zinc/75/65/75/551756575.db2.gz AKXNNOSAEJNRJC-GOSISDBHSA-N -1 3 554.264 5.783 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002096971 551761856 /nfs/dbraw/zinc/76/18/56/551761856.db2.gz VFEUILALMUPRPL-ISKFKSNPSA-N -1 3 512.591 5.207 50 0 biogenic,in-vitro KKAAHM CCCOC(=O)c1c([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)sc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000002103427 551762513 /nfs/dbraw/zinc/76/25/13/551762513.db2.gz YCFQVNSGXQKDNY-UHFFFAOYSA-N -1 3 585.553 9.110 50 0 KKAAHM COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])N[C@@H]3c1ccc(OC)c(CSc2nc3ccccc3s2)c1 ZINC000002118998 551769765 /nfs/dbraw/zinc/76/97/65/551769765.db2.gz RHRZCIDHHVPAFM-WIOPSUGQSA-N -1 3 531.659 5.775 50 0 biogenic KKAAHM CC(C)(C)c1ccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)c(O)c3)cc2[O-])cc1 ZINC000002154373 551779573 /nfs/dbraw/zinc/77/95/73/551779573.db2.gz QUMONHSFWKDYQI-UHFFFAOYSA-N -1 3 550.699 7.788 50 0 KKAAHM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 ZINC000002213017 551794453 /nfs/dbraw/zinc/79/44/53/551794453.db2.gz WTFKCOUNBCCREX-KRWDZBQOSA-N -1 3 503.624 6.628 50 0 KKAAHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)C=Cc4ccc(Cl)cc4Cl)ccc3[O-])oc2cc1C ZINC000002220350 551795778 /nfs/dbraw/zinc/79/57/78/551795778.db2.gz QJZXCNVZENAGQH-XBXARRHUSA-N -1 3 512.418 6.650 50 0 KKAAHM COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002357405 552101558 /nfs/dbraw/zinc/10/15/58/552101558.db2.gz NYTAYMOYEDZLMW-QFIPXVFZSA-N -1 3 520.379 5.632 50 0 KKAAHM Cc1nc(C(F)(F)F)c(C(=O)[N-]c2c(Br)cc(OC(F)(F)F)cc2Br)s1 ZINC000002585907 552131184 /nfs/dbraw/zinc/13/11/84/552131184.db2.gz WOSNCVAPUOFXEH-UHFFFAOYSA-N -1 3 528.066 6.146 50 0 in-vitro KKAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCCC2 ZINC000002717951 552162334 /nfs/dbraw/zinc/16/23/34/552162334.db2.gz NXUWLCSACKHEJR-MRXNPFEDSA-N -1 3 551.694 5.044 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@@H]1c1cccc(I)c1 ZINC000002747210 552174222 /nfs/dbraw/zinc/17/42/22/552174222.db2.gz FNZWXJOTGGQBKX-NRFANRHFSA-N -1 3 592.231 5.364 50 0 KKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002760023 552182189 /nfs/dbraw/zinc/18/21/89/552182189.db2.gz LKIFVUUPCSWKOL-UHFFFAOYSA-N -1 3 501.391 7.114 50 0 KKAAHM O=C([N-]c1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(COc2ccccc2Br)o1 ZINC000002795716 552192405 /nfs/dbraw/zinc/19/24/05/552192405.db2.gz OHNGHBWEWNKJEQ-UHFFFAOYSA-N -1 3 505.731 5.306 50 0 KKAAHM CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OCC)c1 ZINC000002796915 552192675 /nfs/dbraw/zinc/19/26/75/552192675.db2.gz QZWQVSOZJYXUPU-UHFFFAOYSA-N -1 3 548.405 5.186 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002865756 552205182 /nfs/dbraw/zinc/20/51/82/552205182.db2.gz XTKMEYXZGZHQMD-IBGZPJMESA-N -1 3 516.731 5.262 50 0 KKAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911233 552214421 /nfs/dbraw/zinc/21/44/21/552214421.db2.gz VMPAMSZIAXJIOP-UHFFFAOYSA-N -1 3 508.319 5.247 50 0 KKAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000003022727 552264496 /nfs/dbraw/zinc/26/44/96/552264496.db2.gz RBYCZHZKGLXPRB-UHFFFAOYSA-N -1 3 504.583 5.545 50 0 KKAAHM COC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)c(C(=O)OC)c1C ZINC000003038198 552272266 /nfs/dbraw/zinc/27/22/66/552272266.db2.gz UHUQYSZRVJWECG-UHFFFAOYSA-N -1 3 587.363 5.917 50 0 KKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)cc1 ZINC000003104290 552288764 /nfs/dbraw/zinc/28/87/64/552288764.db2.gz XMKPELZNPNGXSM-UHFFFAOYSA-N -1 3 553.050 6.179 50 0 KKAAHM CCOC(=O)c1c([N-]c2nc3ccccc3nc2N2CCC[C@@H](C(=O)OCC)C2)sc2c1CCCC2 ZINC000003196896 552303253 /nfs/dbraw/zinc/30/32/53/552303253.db2.gz IEGYPCSFXVZWHX-QGZVFWFLSA-N -1 3 508.644 5.270 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003209101 552305080 /nfs/dbraw/zinc/30/50/80/552305080.db2.gz KJYVRRUMRVKIFN-UHFFFAOYSA-N -1 3 539.963 5.249 50 0 KKAAHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000003223181 552311476 /nfs/dbraw/zinc/31/14/76/552311476.db2.gz QAKPFBZAXHVVAU-AWEZNQCLSA-N -1 3 569.850 5.834 50 0 KKAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000003238193 552317680 /nfs/dbraw/zinc/31/76/80/552317680.db2.gz CUUUTYHYAWUXCU-UHFFFAOYSA-N -1 3 540.856 5.116 50 0 KKAAHM CCc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N(Cc3ccccc3)c3cccc(C(F)(F)F)c3)c2)s1 ZINC000003244934 552320167 /nfs/dbraw/zinc/32/01/67/552320167.db2.gz QWWDAJDOHGRNSY-UHFFFAOYSA-N -1 3 581.041 6.421 50 0 KKAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000003257409 552324607 /nfs/dbraw/zinc/32/46/07/552324607.db2.gz LIAHVEDCOCISIP-CQSZACIVSA-N -1 3 528.656 6.445 50 0 KKAAHM O=C(CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1)Nc1ccccc1 ZINC000003274747 552333620 /nfs/dbraw/zinc/33/36/20/552333620.db2.gz FLWDICPJMWASSA-UHFFFAOYSA-N -1 3 576.103 6.119 50 0 KKAAHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000003294758 552342186 /nfs/dbraw/zinc/34/21/86/552342186.db2.gz UGUZGYHTBFWFCH-NRFANRHFSA-N -1 3 526.449 5.904 50 0 KKAAHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000003294758 552342189 /nfs/dbraw/zinc/34/21/89/552342189.db2.gz UGUZGYHTBFWFCH-NRFANRHFSA-N -1 3 526.449 5.904 50 0 KKAAHM O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000003294758 552342192 /nfs/dbraw/zinc/34/21/92/552342192.db2.gz UGUZGYHTBFWFCH-NRFANRHFSA-N -1 3 526.449 5.904 50 0 KKAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000003296968 552343445 /nfs/dbraw/zinc/34/34/45/552343445.db2.gz FQTKHLZAOQTXNT-ZVQQDINOSA-N -1 3 552.958 5.172 50 0 KKAAHM COc1ccc(-c2nnc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)n2-c2ccccc2)cc1 ZINC000003322740 552356013 /nfs/dbraw/zinc/35/60/13/552356013.db2.gz XLDCTSDNLAXHTD-UHFFFAOYSA-N -1 3 523.643 6.200 50 0 KKAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003332087 552359887 /nfs/dbraw/zinc/35/98/87/552359887.db2.gz KTQNVDAXVULWNC-UHFFFAOYSA-N -1 3 561.365 5.286 50 0 KKAAHM CCc1cc2c(nc(S[C@H](C)c3nc(=O)c4c(-c5ccccc5)csc4[n-]3)n(Cc3ccccc3)c2=O)s1 ZINC000003333107 552360339 /nfs/dbraw/zinc/36/03/39/552360339.db2.gz ZHSPAYBTWVMHLL-QGZVFWFLSA-N -1 3 556.738 6.887 50 0 KKAAHM CCOC(=O)c1sc2nc(COC(=O)c3ccccc3Nc3ccc(SC(F)F)cc3)[n-]c(=O)c2c1C ZINC000003337650 552361747 /nfs/dbraw/zinc/36/17/47/552361747.db2.gz QAHUQVKWNUNQAL-UHFFFAOYSA-N -1 3 545.589 5.885 50 0 KKAAHM COc1cc(-c2nnc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)o2)cc(OC)c1OC ZINC000003344353 552364272 /nfs/dbraw/zinc/36/42/72/552364272.db2.gz KUWBNMSXFOOUJE-UHFFFAOYSA-N -1 3 508.581 5.020 50 0 KKAAHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)C(=O)N1CCCc2ccccc21 ZINC000003362891 552371929 /nfs/dbraw/zinc/37/19/29/552371929.db2.gz YVLZODZHMDCZFE-MRXNPFEDSA-N -1 3 566.985 5.684 50 0 KKAAHM COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc1)oc1ccccc12 ZINC000003376229 552376566 /nfs/dbraw/zinc/37/65/66/552376566.db2.gz QVVGHDYTBYTPRD-KRWDZBQOSA-N -1 3 579.030 6.233 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000003379495 552377616 /nfs/dbraw/zinc/37/76/16/552377616.db2.gz FFZYZGBRXQZZDB-OAHLLOKOSA-N -1 3 569.661 5.879 50 0 KKAAHM Cc1ccc(-n2c(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nnc2-c2ccccc2F)cc1 ZINC000003402321 552380752 /nfs/dbraw/zinc/38/07/52/552380752.db2.gz YFFCVSKXIPBXNM-UHFFFAOYSA-N -1 3 525.634 6.639 50 0 KKAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)nc(=O)c12 ZINC000003428942 552385072 /nfs/dbraw/zinc/38/50/72/552385072.db2.gz WCBAVKMFKGGTFX-UHFFFAOYSA-N -1 3 593.734 6.462 50 0 KKAAHM CCN(CC)C(=O)c1sc2[n-]c(CSc3cc(-c4ccccc4)c4ccc(OC)cc4n3)nc(=O)c2c1C ZINC000003430594 552385208 /nfs/dbraw/zinc/38/52/08/552385208.db2.gz RKIVJIFCAYORPR-UHFFFAOYSA-N -1 3 544.702 6.291 50 0 KKAAHM CC(C)[C@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003431816 552385632 /nfs/dbraw/zinc/38/56/32/552385632.db2.gz YEWAYWUKYGZYCT-FOHRATBMSA-N -1 3 516.619 5.176 50 0 KKAAHM COc1ccc(-c2cc(-c3nnc(COC(=O)c4ccc(Cl)cc4[O-])o3)c3ccccc3n2)cc1OC ZINC000003458155 552389688 /nfs/dbraw/zinc/38/96/88/552389688.db2.gz LIOIBAJFFTVVCC-UHFFFAOYSA-N -1 3 517.925 5.685 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656079 552404562 /nfs/dbraw/zinc/40/45/62/552404562.db2.gz IEGSAERCPVMECH-QFIPXVFZSA-N -1 3 540.797 5.977 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656115 552404872 /nfs/dbraw/zinc/40/48/72/552404872.db2.gz ZADXSPZIYPRIBK-QFIPXVFZSA-N -1 3 540.797 5.977 50 0 KKAAHM O=C1[N-][C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000003666698 552409298 /nfs/dbraw/zinc/40/92/98/552409298.db2.gz BOJOWZCYWDNNTH-OAQYLSRUSA-N -1 3 514.459 7.008 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000003991867 552425261 /nfs/dbraw/zinc/42/52/61/552425261.db2.gz IOMIIIITTYGNQH-UHFFFAOYSA-N -1 3 662.834 6.496 50 0 KKAAHM CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1Br ZINC000004089637 552434936 /nfs/dbraw/zinc/43/49/36/552434936.db2.gz GXVPBYDJWKAXMM-UHFFFAOYSA-N -1 3 528.453 5.957 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000006142208 552543474 /nfs/dbraw/zinc/54/34/74/552543474.db2.gz FWUSQWTUKCTQJP-QHAWAJNXSA-N -1 3 517.301 5.519 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@@H](C)C2 ZINC000006599737 552601582 /nfs/dbraw/zinc/60/15/82/552601582.db2.gz GACIRDUNUQTKQL-CYBMUJFWSA-N -1 3 563.001 6.684 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)c(C(=O)OCC)c1C ZINC000008431297 553022692 /nfs/dbraw/zinc/02/26/92/553022692.db2.gz LXOVGSJIDNCMIT-UHFFFAOYSA-N -1 3 659.868 6.807 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008431309 553022881 /nfs/dbraw/zinc/02/28/81/553022881.db2.gz MODMAGMSNNMHTF-MRXNPFEDSA-N -1 3 649.533 7.819 50 0 KKAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008437122 553031278 /nfs/dbraw/zinc/03/12/78/553031278.db2.gz WFPOBVUWSZPAPJ-FKBYEOEOSA-N -1 3 502.876 5.419 50 0 KKAAHM CCOC(=O)[C@@]([O-])(c1ccc(N[C@@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)cc1)C(F)(F)F ZINC000008445369 553054231 /nfs/dbraw/zinc/05/42/31/553054231.db2.gz LZOIJUUKBCQVDS-IRLDBZIGSA-N -1 3 519.453 5.385 50 0 KKAAHM CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NN=c1nc(-c2ccccc2)cc(-c2ccccc2)[n-]1 ZINC000008682602 553112604 /nfs/dbraw/zinc/11/26/04/553112604.db2.gz WUCCCZUFGIJIOJ-UHFFFAOYSA-N -1 3 506.570 5.019 50 0 KKAAHM O=C(/C=C/c1ccc(Br)o1)Nc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Cl ZINC000008693916 553118773 /nfs/dbraw/zinc/11/87/73/553118773.db2.gz MCSHPTURECBLIZ-UXBLZVDNSA-N -1 3 516.200 5.802 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccccc2F)cc1OC ZINC000008845387 553165521 /nfs/dbraw/zinc/16/55/21/553165521.db2.gz RBCOATGZKHWSBN-HHHXNRCGSA-N -1 3 521.976 5.688 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(SC)cc2)cc1 ZINC000008845393 553165569 /nfs/dbraw/zinc/16/55/69/553165569.db2.gz RVCVNGHTFNFOPB-HHHXNRCGSA-N -1 3 520.054 6.263 50 0 KKAAHM COc1ccc(CCN2C(=O)N(C3CCCCC3)[C@@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)cc1OC ZINC000008926376 553191291 /nfs/dbraw/zinc/19/12/91/553191291.db2.gz CPKPIFMGUOKXQS-VWLOTQADSA-N -1 3 516.683 5.155 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000009015656 553200358 /nfs/dbraw/zinc/20/03/58/553200358.db2.gz HHHGQMKDPJLJQV-CKXMCULTSA-N -1 3 515.544 5.077 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000009089642 553209175 /nfs/dbraw/zinc/20/91/75/553209175.db2.gz GKISSFMKIWYFDS-YIPGRGJBSA-N -1 3 517.412 5.864 50 0 KKAAHM COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1OC ZINC000009209668 553220560 /nfs/dbraw/zinc/22/05/60/553220560.db2.gz KHZAAMXQQFUDEK-RUZDIDTESA-N -1 3 518.529 5.659 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009235510 553225385 /nfs/dbraw/zinc/22/53/85/553225385.db2.gz XFSUGYGOOWZZBR-XHHBKWMTSA-N -1 3 508.624 5.666 50 0 KKAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)Nc1ccc(Br)cc1 ZINC000009368312 553249605 /nfs/dbraw/zinc/24/96/05/553249605.db2.gz GOIBVPBWIIZFDS-UHFFFAOYSA-N -1 3 501.790 5.076 50 0 KKAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)C1 ZINC000009404067 553255441 /nfs/dbraw/zinc/25/54/41/553255441.db2.gz MPGSFUIZADXDKE-ROUUACIJSA-N -1 3 521.664 5.588 50 0 KKAAHM Cc1ccccc1OCC(=O)Nc1ccc(Cc2ccc(NC(=O)COc3ccccc3C)c(O)c2)cc1[O-] ZINC000009426168 553259615 /nfs/dbraw/zinc/25/96/15/553259615.db2.gz ISQIVCSPCJCTPS-UHFFFAOYSA-N -1 3 526.589 5.340 50 0 KKAAHM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)C1 ZINC000009445242 553264999 /nfs/dbraw/zinc/26/49/99/553264999.db2.gz KVOWMSUXOCIOPR-QGZVFWFLSA-N -1 3 507.637 5.342 50 0 KKAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000009572488 553281325 /nfs/dbraw/zinc/28/13/25/553281325.db2.gz OFQYHLOORWCIBT-UHFFFAOYSA-N -1 3 515.639 6.112 50 0 KKAAHM CCSc1nnc2c(n1)O[C@H](c1ccc([O-])c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000009601858 553287054 /nfs/dbraw/zinc/28/70/54/553287054.db2.gz AKNKQIJNHQLBLR-MRXNPFEDSA-N -1 3 510.211 5.384 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000011757928 553341165 /nfs/dbraw/zinc/34/11/65/553341165.db2.gz NPCLVSZXIUYRFY-UHFFFAOYSA-N -1 3 552.971 5.632 50 0 KKAAHM CCOC(=O)N[C@@]([N-]c1sc(CC)c(-c2ccccc2)c1C(=O)OCC)(C(=O)OCC)C(F)(F)F ZINC000012413119 553364269 /nfs/dbraw/zinc/36/42/69/553364269.db2.gz NVMWXQLDGMNKJY-QFIPXVFZSA-N -1 3 516.538 5.134 50 0 KKAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012563339 553395559 /nfs/dbraw/zinc/39/55/59/553395559.db2.gz ZAYDTEAFEIYXBY-UHFFFAOYSA-N -1 3 518.466 5.189 50 0 KKAAHM CCOC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000012585205 553399654 /nfs/dbraw/zinc/39/96/54/553399654.db2.gz LHWKEQPJXISVTH-UHFFFAOYSA-N -1 3 501.391 7.114 50 0 KKAAHM Cc1ccc(-c2nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3nc2-c2ccc(C)cc2)cc1 ZINC000012643424 553408564 /nfs/dbraw/zinc/40/85/64/553408564.db2.gz QKJFQJQVGULASU-UHFFFAOYSA-N -1 3 500.023 7.035 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013757500 553488274 /nfs/dbraw/zinc/48/82/74/553488274.db2.gz RLCNXIWLOUMWJM-SFHLNBCPSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013758674 553488584 /nfs/dbraw/zinc/48/85/84/553488584.db2.gz QYSPWHCQALCUAM-DSNGMDLFSA-N -1 3 505.357 6.305 50 0 KKAAHM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2ccccc2)cc1 ZINC000016215803 553556850 /nfs/dbraw/zinc/55/68/50/553556850.db2.gz AILLKWZRDFKMMY-ZXVVBBHZSA-N -1 3 502.567 5.814 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc(Br)c1[O-] ZINC000016346017 553560473 /nfs/dbraw/zinc/56/04/73/553560473.db2.gz CMAHEYOCPMAGQT-LJQANCHMSA-N -1 3 513.731 5.068 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016956869 553585221 /nfs/dbraw/zinc/58/52/21/553585221.db2.gz JWQHCZGQENDFJZ-HSZRJFAPSA-N -1 3 509.791 5.647 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016971889 553585651 /nfs/dbraw/zinc/58/56/51/553585651.db2.gz GRGYNPLUCYHXNZ-NDEPHWFRSA-N -1 3 517.029 6.309 50 0 KKAAHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Nc4nc(C)cc(Nc5ccc(C)cc5)n4)cc3)cc2s1 ZINC000017042884 553587104 /nfs/dbraw/zinc/58/71/04/553587104.db2.gz YCNQGMWWVGEPRY-UHFFFAOYSA-N -1 3 516.652 6.300 50 0 KKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc5cccc6c5c4CC6)cc3)n2)cc1 ZINC000017042888 553587190 /nfs/dbraw/zinc/58/71/90/553587190.db2.gz MORCOKXCTYOCCO-UHFFFAOYSA-N -1 3 521.646 6.633 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000017721048 553599337 /nfs/dbraw/zinc/59/93/37/553599337.db2.gz OATLEPQUFIVYPC-BDTNDASRSA-N -1 3 513.775 5.162 50 0 KKAAHM COc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1OC(C)C ZINC000079189198 553667020 /nfs/dbraw/zinc/66/70/20/553667020.db2.gz RJVDYZVAPOVBPK-KATGBXRGSA-N -1 3 536.621 6.111 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC ZINC000079191323 553668044 /nfs/dbraw/zinc/66/80/44/553668044.db2.gz KWAZFLOXEMEBIS-GKEJAMAUSA-N -1 3 538.593 5.341 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 ZINC000079191682 553668415 /nfs/dbraw/zinc/66/84/15/553668415.db2.gz FBPSYIIKRBDYNL-SPONDUDTSA-N -1 3 536.577 5.095 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1 ZINC000079193402 553668640 /nfs/dbraw/zinc/66/86/40/553668640.db2.gz ADXBEZCILHEZKK-XDHOINAOSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C ZINC000079192688 553668711 /nfs/dbraw/zinc/66/87/11/553668711.db2.gz JXICOOKDANHSCM-FDWCFBDLSA-N -1 3 536.621 6.111 50 0 KKAAHM COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)c1 ZINC000085879807 553690089 /nfs/dbraw/zinc/69/00/89/553690089.db2.gz URAIEJCLWNUCPR-FWFPMHHUSA-N -1 3 630.646 6.148 50 0 KKAAHM O=c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021486431 553709908 /nfs/dbraw/zinc/70/99/08/553709908.db2.gz FKDNGEIBUXWXCI-UHFFFAOYSA-N -1 3 527.093 6.212 50 0 KKAAHM Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(Br)cc1 ZINC000097945490 553772676 /nfs/dbraw/zinc/77/26/76/553772676.db2.gz XOKSQWQZDFDURF-UHFFFAOYSA-N -1 3 529.482 5.343 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000097949201 553800318 /nfs/dbraw/zinc/80/03/18/553800318.db2.gz GIMIQMSZZPYIDT-OAHLLOKOSA-N -1 3 665.532 7.438 50 0 KKAAHM CCOC(=O)[C@@]([O-])(c1ccc(N[C@@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)c(C)c1)C(F)(F)F ZINC000097949531 553802242 /nfs/dbraw/zinc/80/22/42/553802242.db2.gz CDVLMJNFOLYHDG-GGAORHGYSA-N -1 3 533.480 5.693 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097952456 553816015 /nfs/dbraw/zinc/81/60/15/553816015.db2.gz GWPAFWXSQKUICE-QHAWAJNXSA-N -1 3 528.200 5.263 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000097954098 553821347 /nfs/dbraw/zinc/82/13/47/553821347.db2.gz UUVNEGGURRLIHJ-UBFVSLLYSA-N -1 3 539.802 6.958 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000097954826 553825706 /nfs/dbraw/zinc/82/57/06/553825706.db2.gz HURXEWHQARGWKH-YPKYBTACSA-N -1 3 536.628 6.469 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097954806 553825759 /nfs/dbraw/zinc/82/57/59/553825759.db2.gz XAOMMBHBNKOFIG-QHAWAJNXSA-N -1 3 517.301 5.519 50 0 KKAAHM COc1cc([C@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000032593675 553869590 /nfs/dbraw/zinc/86/95/90/553869590.db2.gz WLCFQLOYEICNEV-DEOSSOPVSA-N -1 3 518.411 5.618 50 0 KKAAHM O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccccc1Cl ZINC000097962132 553883342 /nfs/dbraw/zinc/88/33/42/553883342.db2.gz JEVXPOUNYSBBOB-BJMVGYQFSA-N -1 3 579.619 6.282 50 0 KKAAHM CCN1c2ccc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000033355889 553937974 /nfs/dbraw/zinc/93/79/74/553937974.db2.gz PRDRZCIENBRTSG-DEOSSOPVSA-N -1 3 534.663 5.544 50 0 KKAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[C@@H](c2ccc(F)cc2)C1 ZINC000097971431 553962604 /nfs/dbraw/zinc/96/26/04/553962604.db2.gz VTNSVSIUJJAZTJ-MUUNZHRXSA-N -1 3 572.065 6.817 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cccc(NC=C3c4ccccc4C(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000097980487 553989033 /nfs/dbraw/zinc/98/90/33/553989033.db2.gz DTMMVMWUMUIDEU-VUTHCHCSSA-N -1 3 553.640 5.753 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\c3cc(Br)c([O-])c(OC)c3)C2=O)cc1 ZINC000097980680 553990393 /nfs/dbraw/zinc/99/03/93/553990393.db2.gz KWJIWGLFGRZXMT-UDWIEESQSA-N -1 3 522.351 5.068 50 0 KKAAHM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097982381 554001846 /nfs/dbraw/zinc/00/18/46/554001846.db2.gz JGRGEDOIBZWYSM-LLVKDONJSA-N -1 3 630.255 7.304 50 0 KKAAHM CCOC(=O)c1c([N-][C@@](NC(=O)c2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003631 554055347 /nfs/dbraw/zinc/05/53/47/554055347.db2.gz AZDRBTOJKYKDQT-SANMLTNESA-N -1 3 564.582 5.436 50 0 KKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000098008271 554067181 /nfs/dbraw/zinc/06/71/81/554067181.db2.gz UBUGFDQTDHKARO-BDTNDASRSA-N -1 3 531.328 5.827 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000035851520 554083598 /nfs/dbraw/zinc/08/35/98/554083598.db2.gz ROJJJJLQDMZZCG-NJDAHSKKSA-N -1 3 507.295 6.063 50 0 KKAAHM CC[C@@H](C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000035944396 554102244 /nfs/dbraw/zinc/10/22/44/554102244.db2.gz LXLHNNPEVASMFU-MUUNZHRXSA-N -1 3 537.726 5.740 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccccc3Cl)[C@@H](C)c3ccccc3)c2)cc1 ZINC000098020192 554117495 /nfs/dbraw/zinc/11/74/95/554117495.db2.gz BMHGABDJGVYARK-QFIPXVFZSA-N -1 3 578.134 6.619 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000098046750 554143099 /nfs/dbraw/zinc/14/30/99/554143099.db2.gz FOSNTXXTKXWIRK-NRFANRHFSA-N -1 3 605.666 6.431 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(Br)c1[O-] ZINC000098046958 554145561 /nfs/dbraw/zinc/14/55/61/554145561.db2.gz PNZVLQHXMXCNAD-QHCPKHFHSA-N -1 3 535.398 5.016 50 0 KKAAHM CCc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098046962 554145586 /nfs/dbraw/zinc/14/55/86/554145586.db2.gz QSQVSXRKRYSIRA-LJAQVGFWSA-N -1 3 532.040 6.112 50 0 KKAAHM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(NS(=O)(=O)c4cc(C(C)(C)C)cc(C)c4C)cc3)cc2)c1C ZINC000098048395 554161591 /nfs/dbraw/zinc/16/15/91/554161591.db2.gz FXMSWPDYMGOCPI-UHFFFAOYSA-N -1 3 648.891 8.909 50 0 KKAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(Cn3cc(C(F)(F)F)cc(Cl)c3=O)nc(=O)c12 ZINC000098050535 554175270 /nfs/dbraw/zinc/17/52/70/554175270.db2.gz KPBVNZSMVUFUFE-UHFFFAOYSA-N -1 3 522.936 5.044 50 0 KKAAHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Br)cc(Br)cc1-c1nnn[n-]1 ZINC000098052575 554176013 /nfs/dbraw/zinc/17/60/13/554176013.db2.gz UZWJWROOLOOCPQ-UHFFFAOYSA-N -1 3 574.077 6.073 50 0 in-vitro KKAAHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Br)cc(Br)cc1-c1nn[n-]n1 ZINC000098052575 554176014 /nfs/dbraw/zinc/17/60/14/554176014.db2.gz UZWJWROOLOOCPQ-UHFFFAOYSA-N -1 3 574.077 6.073 50 0 in-vitro KKAAHM Cc1ccc(C(NCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100056633 554196512 /nfs/dbraw/zinc/19/65/12/554196512.db2.gz RXKBBKLPMHPIKD-BHVANESWSA-N -1 3 596.727 7.259 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065344 554199588 /nfs/dbraw/zinc/19/95/88/554199588.db2.gz ONYKOVWHVPMPEP-XTEPFMGCSA-N -1 3 565.501 5.494 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(C[C@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205355 554201329 /nfs/dbraw/zinc/20/13/29/554201329.db2.gz BQPSENSCVSOJSF-RUZDIDTESA-N -1 3 501.696 6.007 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3Cl)cc2)cc1 ZINC000048149733 554321411 /nfs/dbraw/zinc/32/14/11/554321411.db2.gz GARICKYUXXRXEX-SFHVURJKSA-N -1 3 503.089 6.603 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(I)c1[O-] ZINC000100359985 554341960 /nfs/dbraw/zinc/34/19/60/554341960.db2.gz GEICGBIYZFRBTJ-UDWIEESQSA-N -1 3 531.371 5.785 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000059103227 554378975 /nfs/dbraw/zinc/37/89/75/554378975.db2.gz YTHMWGGEQAVZGV-SANMLTNESA-N -1 3 546.421 6.164 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000059103227 554378977 /nfs/dbraw/zinc/37/89/77/554378977.db2.gz YTHMWGGEQAVZGV-SANMLTNESA-N -1 3 546.421 6.164 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Br)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103031 554379131 /nfs/dbraw/zinc/37/91/31/554379131.db2.gz SZJSKDWAVGVNHA-QHCPKHFHSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Br)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103031 554379134 /nfs/dbraw/zinc/37/91/34/554379134.db2.gz SZJSKDWAVGVNHA-QHCPKHFHSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059641285 554416886 /nfs/dbraw/zinc/41/68/86/554416886.db2.gz SASDKENZWBELDL-UHFFFAOYSA-N -1 3 623.753 5.264 50 0 KKAAHM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C([O-])=CC(=O)C(=O)Nc1c(C(C)C)cc(C)cc1C(C)C ZINC000100721869 554456100 /nfs/dbraw/zinc/45/61/00/554456100.db2.gz MCTUZDFGZOLQPG-UHFFFAOYSA-N -1 3 604.776 8.307 50 0 KKAAHM CC[C@@H](C(=O)N1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000100889282 554510743 /nfs/dbraw/zinc/51/07/43/554510743.db2.gz WKWQQQDZZPWHAX-MGBGTMOVSA-N -1 3 638.834 6.301 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(Cl)cc1Cl ZINC000101126461 554645625 /nfs/dbraw/zinc/64/56/25/554645625.db2.gz RGMSCIUEXKEGHY-YPAWHYETSA-N -1 3 545.444 5.818 50 0 KKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000101127211 554646062 /nfs/dbraw/zinc/64/60/62/554646062.db2.gz WFPOBVUWSZPAPJ-VSKRKVRLSA-N -1 3 502.876 5.419 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101139034 554652390 /nfs/dbraw/zinc/65/23/90/554652390.db2.gz DKJWBJSUKOFCSM-VJGNERBWSA-N -1 3 521.013 5.969 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101150167 554657028 /nfs/dbraw/zinc/65/70/28/554657028.db2.gz FGOMSAZEUOUEFS-PFBJBMPXSA-N -1 3 504.558 5.454 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101153166 554657825 /nfs/dbraw/zinc/65/78/25/554657825.db2.gz HIOGIZPYTOEBLB-FCEKVYKBSA-N -1 3 516.594 5.324 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101178416 554665451 /nfs/dbraw/zinc/66/54/51/554665451.db2.gz BCEGFARFUFCHIC-WFPUBZAHSA-N -1 3 528.583 5.990 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000101183246 554668504 /nfs/dbraw/zinc/66/85/04/554668504.db2.gz COURBZJPRAMGCV-CYXNTTPDSA-N -1 3 529.390 5.662 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101201031 554672745 /nfs/dbraw/zinc/67/27/45/554672745.db2.gz UUSRNNSJYSJHQE-WFPUBZAHSA-N -1 3 544.676 6.611 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000101342475 554735897 /nfs/dbraw/zinc/73/58/97/554735897.db2.gz BHAUNPDRZCCCNU-LSMVNSQTSA-N -1 3 531.439 6.254 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101534653 554795518 /nfs/dbraw/zinc/79/55/18/554795518.db2.gz KOCHPUKKFCJRIZ-GXIQWAOMSA-N -1 3 550.655 5.682 50 0 KKAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[C@@H](c2cccs2)C1 ZINC000101895534 554846925 /nfs/dbraw/zinc/84/69/25/554846925.db2.gz DOSPHPGRSCQGHM-RUZDIDTESA-N -1 3 560.104 6.739 50 0 KKAAHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000101908406 554849161 /nfs/dbraw/zinc/84/91/61/554849161.db2.gz YLOOJOYPHQZSPL-UHFFFAOYSA-N -1 3 567.033 5.472 50 0 KKAAHM COc1ccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102132298 554886429 /nfs/dbraw/zinc/88/64/29/554886429.db2.gz RXOYJCIMYQFMQU-UHFFFAOYSA-N -1 3 548.537 5.804 50 0 KKAAHM Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000102270539 554905618 /nfs/dbraw/zinc/90/56/18/554905618.db2.gz DHMJYAZOWMAYGY-UHFFFAOYSA-N -1 3 527.440 6.482 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1Cl ZINC000102278680 554906499 /nfs/dbraw/zinc/90/64/99/554906499.db2.gz ZCRFMVOCTYWFRS-UHFFFAOYSA-N -1 3 539.976 5.250 50 0 KKAAHM Cc1cc(C(=O)Nc2cc(S(=O)(=O)[N-]c3cc(C)ccc3I)ccc2Cl)c(C)o1 ZINC000102337359 554912912 /nfs/dbraw/zinc/91/29/12/554912912.db2.gz NTOHOXUJAQZKGO-UHFFFAOYSA-N -1 3 544.798 5.516 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102546701 554959488 /nfs/dbraw/zinc/95/94/88/554959488.db2.gz UISUCNIPNWDEOI-GMTSZFNJSA-N -1 3 570.645 6.869 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102559513 554966886 /nfs/dbraw/zinc/96/68/86/554966886.db2.gz SNCHPGRCAVKONL-NLDZOOGBSA-N -1 3 619.899 6.741 50 0 KKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000102723115 555020730 /nfs/dbraw/zinc/02/07/30/555020730.db2.gz GWRWWWDNIQLMGE-GMQQYTKMSA-N -1 3 514.578 5.093 50 0 KKAAHM O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102734011 555024663 /nfs/dbraw/zinc/02/46/63/555024663.db2.gz JBLXWAXDZJLTKI-PCCBWWKXSA-N -1 3 538.412 5.257 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000102745142 555036950 /nfs/dbraw/zinc/03/69/50/555036950.db2.gz AMRLBNBIYARJEM-HKBOAZHASA-N -1 3 545.220 5.016 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102746317 555038610 /nfs/dbraw/zinc/03/86/10/555038610.db2.gz DLEMHSYCAFTVFC-PWRODBHTSA-N -1 3 518.194 5.807 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102749137 555043447 /nfs/dbraw/zinc/04/34/47/555043447.db2.gz SXWCNTMBKSVPGS-ZONZVBGPSA-N -1 3 504.558 5.454 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102753924 555045591 /nfs/dbraw/zinc/04/55/91/555045591.db2.gz BOVVKZHOTIIIKU-MPFGFTFXSA-N -1 3 534.568 5.356 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102755129 555046915 /nfs/dbraw/zinc/04/69/15/555046915.db2.gz ODGNBOYPZLPWND-ISJGIBHGSA-N -1 3 505.357 6.305 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102757554 555049975 /nfs/dbraw/zinc/04/99/75/555049975.db2.gz HURXEWHQARGWKH-JFHPUIQFSA-N -1 3 536.628 6.469 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000102758759 555050686 /nfs/dbraw/zinc/05/06/86/555050686.db2.gz XBGLYYZHIOZHGA-WXFUMESZSA-N -1 3 512.484 5.425 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102758655 555050715 /nfs/dbraw/zinc/05/07/15/555050715.db2.gz YUSDUUYSSWYYRK-ISJGIBHGSA-N -1 3 504.464 5.790 50 0 KKAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 ZINC000102759160 555050921 /nfs/dbraw/zinc/05/09/21/555050921.db2.gz MEKBXZLHXRDSEC-MPFGFTFXSA-N -1 3 506.558 5.325 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102761355 555052710 /nfs/dbraw/zinc/05/27/10/555052710.db2.gz LKDPKYSTNRLRGA-MPFGFTFXSA-N -1 3 508.574 5.688 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102762946 555053260 /nfs/dbraw/zinc/05/32/60/555053260.db2.gz RAYJLBGXBQZTPU-JCYYIGJDSA-N -1 3 514.578 5.128 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102765659 555054619 /nfs/dbraw/zinc/05/46/19/555054619.db2.gz VOGICXLSCLNYCX-WXFUMESZSA-N -1 3 507.384 5.126 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102766039 555054970 /nfs/dbraw/zinc/05/49/70/555054970.db2.gz ACMGXGJEOXNCQB-ZONZVBGPSA-N -1 3 521.013 5.969 50 0 KKAAHM Cc1ccc2c(c1)[C@]1(C(=O)N2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000102766298 555055272 /nfs/dbraw/zinc/05/52/72/555055272.db2.gz YCCPIQFTOOLLBA-ADTKTOCISA-N -1 3 532.427 5.316 50 0 KKAAHM Cc1c([O-])ccc2c(CN(Cc3ccc(-c4ccc(Cl)cc4)o3)Cc3cc(=O)oc4c(C)c([O-])ccc34)cc(=O)oc12 ZINC000102851814 555086033 /nfs/dbraw/zinc/08/60/33/555086033.db2.gz NDFQJLGLPCWSLW-UHFFFAOYSA-N -1 3 584.024 7.043 50 0 KKAAHM Cc1c([O-])ccc2c(CN(Cc3ccc(-c4ccc(Cl)cc4)o3)Cc3cc(=O)oc4c(C)c(O)ccc34)cc(=O)oc12 ZINC000102851814 555086037 /nfs/dbraw/zinc/08/60/37/555086037.db2.gz NDFQJLGLPCWSLW-UHFFFAOYSA-N -1 3 584.024 7.043 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000102860408 555090557 /nfs/dbraw/zinc/09/05/57/555090557.db2.gz OTRJVMFJVHECLP-WRALFONMSA-N -1 3 534.918 5.032 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860604 555090880 /nfs/dbraw/zinc/09/08/80/555090880.db2.gz FTDBOAQUTSQRPF-XPWALMASSA-N -1 3 559.471 6.208 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccc(C)cc1 ZINC000102863276 555093205 /nfs/dbraw/zinc/09/32/05/555093205.db2.gz XCFNHJLMJLEOPY-KMDXXIMOSA-N -1 3 504.608 5.210 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866350 555095465 /nfs/dbraw/zinc/09/54/65/555095465.db2.gz XDLGDMKLZCIDCX-NHKHRBQYSA-N -1 3 552.558 5.413 50 0 KKAAHM COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Br)cc2)cc1 ZINC000102871114 555101482 /nfs/dbraw/zinc/10/14/82/555101482.db2.gz ZQXSEUNMRRKKLC-TWJOJJKGSA-N -1 3 557.400 5.440 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102884865 555114824 /nfs/dbraw/zinc/11/48/24/555114824.db2.gz MQTZMIAOJDTZAC-NHKHRBQYSA-N -1 3 585.454 6.088 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887035 555117786 /nfs/dbraw/zinc/11/77/86/555117786.db2.gz FFRCNKAHTCNNMI-NLDZOOGBSA-N -1 3 552.558 5.413 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102887317 555118866 /nfs/dbraw/zinc/11/88/66/555118866.db2.gz YEVTYJNCKNYRIU-HKFRAXQBSA-N -1 3 597.092 6.275 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890509 555125800 /nfs/dbraw/zinc/12/58/00/555125800.db2.gz CGUYSYHDJNQRAM-FCEKVYKBSA-N -1 3 572.976 5.758 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890513 555125891 /nfs/dbraw/zinc/12/58/91/555125891.db2.gz CGUYSYHDJNQRAM-IARZGTGTSA-N -1 3 572.976 5.758 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102896906 555137247 /nfs/dbraw/zinc/13/72/47/555137247.db2.gz ULDGKVJMNWIMNF-JFHPUIQFSA-N -1 3 576.630 5.659 50 0 KKAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1OC ZINC000102909130 555141972 /nfs/dbraw/zinc/14/19/72/555141972.db2.gz XUOXXBNDWMEXAH-ZDUSSCGKSA-N -1 3 571.410 5.135 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102912302 555143315 /nfs/dbraw/zinc/14/33/15/555143315.db2.gz NVSQTSPYGFBEPW-KKUQBAQOSA-N -1 3 530.646 5.472 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3sc4cc(Cl)ccc4c3Cl)c2)cc1 ZINC000102929923 555156216 /nfs/dbraw/zinc/15/62/16/555156216.db2.gz DNTMLMWGCXJQSN-UHFFFAOYSA-N -1 3 592.526 6.106 50 0 KKAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000102933884 555161046 /nfs/dbraw/zinc/16/10/46/555161046.db2.gz WSTSIIUEYGWLIS-OALUTQOASA-N -1 3 592.139 5.068 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000102938573 555166954 /nfs/dbraw/zinc/16/69/54/555166954.db2.gz ATMNUIGXELDTSE-UHFFFAOYSA-N -1 3 613.099 5.734 50 0 KKAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000102967360 555180390 /nfs/dbraw/zinc/18/03/90/555180390.db2.gz WZWKOXYVRWZPCV-UHFFFAOYSA-N -1 3 574.338 7.982 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000102966506 555180460 /nfs/dbraw/zinc/18/04/60/555180460.db2.gz VHMFAMSWGFMTTI-UHFFFAOYSA-N -1 3 603.169 7.660 50 0 KKAAHM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)cc12 ZINC000102977538 555186950 /nfs/dbraw/zinc/18/69/50/555186950.db2.gz LSDFYJSSZQSDSI-UHFFFAOYSA-N -1 3 555.056 6.549 50 0 KKAAHM Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102996460 555195930 /nfs/dbraw/zinc/19/59/30/555195930.db2.gz JNADMNMJXOPXAE-UHFFFAOYSA-N -1 3 529.021 6.312 50 0 KKAAHM COc1ccc(NC(=O)CCOc2ccccc2C)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000103026754 555216730 /nfs/dbraw/zinc/21/67/30/555216730.db2.gz BLNDKNDYALSUSU-UHFFFAOYSA-N -1 3 533.444 5.283 50 0 KKAAHM CC1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2-c2ccccc2)CC1 ZINC000103124782 555292793 /nfs/dbraw/zinc/29/27/93/555292793.db2.gz OLLLXMKUIBARQV-UHFFFAOYSA-N -1 3 582.151 5.739 50 0 KKAAHM CCOC(=O)c1sc2nc([C@@H](C)OC(=O)c3sc4c(ccc(OC)c4Cl)c3Cl)[n-]c(=O)c2c1C ZINC000103137176 555307238 /nfs/dbraw/zinc/30/72/38/555307238.db2.gz FMMMKEZAQPPMRQ-SECBINFHSA-N -1 3 541.434 5.918 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000103439468 555419497 /nfs/dbraw/zinc/41/94/97/555419497.db2.gz UNMKQPWBRBDLTL-UHFFFAOYSA-N -1 3 627.744 6.021 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)cc2)cc1C ZINC000103707438 555464445 /nfs/dbraw/zinc/46/44/45/555464445.db2.gz PRTMJMZSZDCTFO-UHFFFAOYSA-N -1 3 548.730 6.806 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000104784434 571386146 /nfs/dbraw/zinc/38/61/46/571386146.db2.gz AMRLBNBIYARJEM-QHAWAJNXSA-N -1 3 545.220 5.016 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000104784438 571386189 /nfs/dbraw/zinc/38/61/89/571386189.db2.gz AMRLBNBIYARJEM-NJDAHSKKSA-N -1 3 545.220 5.016 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000105795735 571408662 /nfs/dbraw/zinc/40/86/62/571408662.db2.gz SHTPDBKUWALGMG-ZONZVBGPSA-N -1 3 565.464 6.078 50 0 KKAAHM COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1[O-] ZINC000105959026 571409418 /nfs/dbraw/zinc/40/94/18/571409418.db2.gz HYRRTGIPOBKSDV-APSNUPSMSA-N -1 3 570.259 5.218 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106018357 571410538 /nfs/dbraw/zinc/41/05/38/571410538.db2.gz FFRCNKAHTCNNMI-MPFGFTFXSA-N -1 3 552.558 5.413 50 0 KKAAHM O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108448538 571424376 /nfs/dbraw/zinc/42/43/76/571424376.db2.gz DNRIPOYQRVHXGT-AREMUKBSSA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1 ZINC000108450067 571425106 /nfs/dbraw/zinc/42/51/06/571425106.db2.gz WZBDCJANXMERAQ-SANMLTNESA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000136214620 571449209 /nfs/dbraw/zinc/44/92/09/571449209.db2.gz ODGNBOYPZLPWND-CCDWMCETSA-N -1 3 505.357 6.305 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000136153413 571449227 /nfs/dbraw/zinc/44/92/27/571449227.db2.gz LHOFLAMJQVVUJR-CCDWMCETSA-N -1 3 515.363 5.760 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000137493448 571450343 /nfs/dbraw/zinc/45/03/43/571450343.db2.gz VOGICXLSCLNYCX-RBZQAINGSA-N -1 3 507.384 5.126 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000137882002 571450715 /nfs/dbraw/zinc/45/07/15/571450715.db2.gz POVRGIYDCPLPPR-KKUQBAQOSA-N -1 3 519.384 6.613 50 0 KKAAHM CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000137909854 571450789 /nfs/dbraw/zinc/45/07/89/571450789.db2.gz DTRNDXUFWWURGR-OIFRRMEBSA-N -1 3 518.569 5.519 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000138589587 571451524 /nfs/dbraw/zinc/45/15/24/571451524.db2.gz XECHRCZXJANQFM-KMDXXIMOSA-N -1 3 504.373 5.901 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150380226 571466800 /nfs/dbraw/zinc/46/68/00/571466800.db2.gz GBESWGLORPXRAI-UHFFFAOYSA-N -1 3 630.144 5.300 50 0 KKAAHM COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c1OC ZINC000150404193 571478993 /nfs/dbraw/zinc/47/89/93/571478993.db2.gz SMXPLEKYAVAWPY-DEOSSOPVSA-N -1 3 663.529 5.498 50 0 KKAAHM Cc1cccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)c1 ZINC000150439878 571497599 /nfs/dbraw/zinc/49/75/99/571497599.db2.gz OGHSDEUMWGYKEX-UHFFFAOYSA-N -1 3 666.891 9.179 50 0 KKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000150440962 571498209 /nfs/dbraw/zinc/49/82/09/571498209.db2.gz UMHFMZJMLXUIQY-RYAOVBRBSA-N -1 3 651.657 8.221 50 0 KKAAHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000150451277 571503000 /nfs/dbraw/zinc/50/30/00/571503000.db2.gz VSLOLFCQDGEPSM-PGUFJCEWSA-N -1 3 693.269 7.239 50 0 KKAAHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000150451273 571503012 /nfs/dbraw/zinc/50/30/12/571503012.db2.gz VSLOLFCQDGEPSM-DHUJRADRSA-N -1 3 693.269 7.239 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(C(C)C)C2=O)cc1 ZINC000150457924 571505202 /nfs/dbraw/zinc/50/52/02/571505202.db2.gz CRVPGDLFYPYOBZ-UHFFFAOYSA-N -1 3 644.569 5.371 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000150457905 571505263 /nfs/dbraw/zinc/50/52/63/571505263.db2.gz CUJSPVPQEYJWNF-UHFFFAOYSA-N -1 3 678.586 6.167 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150460848 571506123 /nfs/dbraw/zinc/50/61/23/571506123.db2.gz ZGFIFAKHBNODNM-UHFFFAOYSA-N -1 3 658.347 5.694 50 0 KKAAHM COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(N4CCN(c5ccc(F)cc5)CC4)=Nc4ccccc4N32)cc(Br)c1[O-] ZINC000150468132 571508309 /nfs/dbraw/zinc/50/83/09/571508309.db2.gz BUDHYIOMWVTTLA-YTTGMZPUSA-N -1 3 692.593 7.302 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3sc(C)c(Cc4ccc5c(c4)OCO5)c3C(=O)OC)c2)cc1 ZINC000150482984 571513699 /nfs/dbraw/zinc/51/36/99/571513699.db2.gz YSKWNCPOZRNISC-UHFFFAOYSA-N -1 3 680.757 5.466 50 0 KKAAHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@@H](C)CCCC(C)C ZINC000150490559 571517185 /nfs/dbraw/zinc/51/71/85/571517185.db2.gz LJCJHJLGTNVQNJ-NRFANRHFSA-N -1 3 676.692 8.179 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000150657513 571527016 /nfs/dbraw/zinc/52/70/16/571527016.db2.gz DYHPUZLBYYJFMS-JCYYIGJDSA-N -1 3 646.437 5.570 50 0 KKAAHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000261492658 572110964 /nfs/dbraw/zinc/11/09/64/572110964.db2.gz YTCJFKGHPCXNHP-XMMPIXPASA-N -1 3 503.965 5.053 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(OCCc2ccc(OC)cc2)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263584970 572115954 /nfs/dbraw/zinc/11/59/54/572115954.db2.gz CMVANRIWUDLNGC-LJAQVGFWSA-N -1 3 659.732 5.255 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226815526 572141962 /nfs/dbraw/zinc/14/19/62/572141962.db2.gz FDUKXOPMQCRVOR-FRXPANAUSA-N -1 3 522.601 6.078 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000226823215 572142838 /nfs/dbraw/zinc/14/28/38/572142838.db2.gz TWXMRUSISZIMHZ-BHDDXSALSA-N -1 3 513.775 5.162 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226832385 572142889 /nfs/dbraw/zinc/14/28/89/572142889.db2.gz AVFPRVAOUSFFCL-OYUWMTPXSA-N -1 3 508.505 5.096 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000226913371 572145099 /nfs/dbraw/zinc/14/50/99/572145099.db2.gz UUSRNNSJYSJHQE-AOFBEVEVSA-N -1 3 544.676 6.611 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000226913454 572145462 /nfs/dbraw/zinc/14/54/62/572145462.db2.gz GKAZYFQOEUZNOQ-AOFBEVEVSA-N -1 3 528.608 6.143 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000227085192 572149766 /nfs/dbraw/zinc/14/97/66/572149766.db2.gz DLRWMULHGRLADS-CCDWMCETSA-N -1 3 594.259 6.523 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000227082496 572149823 /nfs/dbraw/zinc/14/98/23/572149823.db2.gz ALJBADOISWIGCG-JIMJEQGWSA-N -1 3 598.437 5.530 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000227086314 572150510 /nfs/dbraw/zinc/15/05/10/572150510.db2.gz FBSHMUUKVBFUCM-HZFUHODCSA-N -1 3 555.428 6.079 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227230404 572150845 /nfs/dbraw/zinc/15/08/45/572150845.db2.gz QBRYVBBYJJPODK-ZGIBFIJWSA-N -1 3 664.350 6.850 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227230278 572150968 /nfs/dbraw/zinc/15/09/68/572150968.db2.gz FFRCNKAHTCNNMI-ZGIBFIJWSA-N -1 3 552.558 5.413 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227291694 572153376 /nfs/dbraw/zinc/15/33/76/572153376.db2.gz VSRIDIVLSKGWGY-GMQQYTKMSA-N -1 3 595.460 5.812 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000229620643 572157105 /nfs/dbraw/zinc/15/71/05/572157105.db2.gz GKISSFMKIWYFDS-OSSDZZHWSA-N -1 3 517.412 5.864 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229943304 572172394 /nfs/dbraw/zinc/17/23/94/572172394.db2.gz OEULSDVNRAXMCN-UPRLRBBYSA-N -1 3 575.042 5.467 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000229944191 572172498 /nfs/dbraw/zinc/17/24/98/572172498.db2.gz FQGSVNRQXHCQSE-YUAOJYLXSA-N -1 3 563.028 6.644 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229949693 572173181 /nfs/dbraw/zinc/17/31/81/572173181.db2.gz NGPGDNUELGEEOY-HMYMNELBSA-N -1 3 550.655 5.601 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229955207 572173976 /nfs/dbraw/zinc/17/39/76/572173976.db2.gz DSEIGPOPWRCJTQ-AGKKXDHOSA-N -1 3 599.539 7.610 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229969391 572175334 /nfs/dbraw/zinc/17/53/34/572175334.db2.gz RGMSCIUEXKEGHY-BHDDXSALSA-N -1 3 545.444 5.818 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229969379 572175384 /nfs/dbraw/zinc/17/53/84/572175384.db2.gz FTDBOAQUTSQRPF-YTFSRNRJSA-N -1 3 559.471 6.208 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229977219 572176004 /nfs/dbraw/zinc/17/60/04/572176004.db2.gz RPAOVPSORWAUDF-GZNUUUAQSA-N -1 3 525.048 6.237 50 0 KKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229991307 572177030 /nfs/dbraw/zinc/17/70/30/572177030.db2.gz AZKFRKYWHBXYFA-GURVGDRESA-N -1 3 545.466 6.582 50 0 KKAAHM CCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000229998190 572177819 /nfs/dbraw/zinc/17/78/19/572177819.db2.gz GWRWWWDNIQLMGE-OYUWMTPXSA-N -1 3 514.578 5.093 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 ZINC000230010754 572178361 /nfs/dbraw/zinc/17/83/61/572178361.db2.gz BUFVHZOLWAUEGK-ZGIBFIJWSA-N -1 3 530.621 5.714 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000230025152 572179749 /nfs/dbraw/zinc/17/97/49/572179749.db2.gz JNBDVLHASKLWEB-PWRODBHTSA-N -1 3 518.194 5.807 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000230030946 572180035 /nfs/dbraw/zinc/18/00/35/572180035.db2.gz WYYYTXNFYZOAJH-JIMJEQGWSA-N -1 3 519.384 6.613 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000230057934 572181640 /nfs/dbraw/zinc/18/16/40/572181640.db2.gz ROJJJJLQDMZZCG-PWRODBHTSA-N -1 3 507.295 6.063 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000230189092 572185099 /nfs/dbraw/zinc/18/50/99/572185099.db2.gz WRHSBJXEQMDBBO-UCDUTVGFSA-N -1 3 525.048 6.319 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000230202269 572185555 /nfs/dbraw/zinc/18/55/55/572185555.db2.gz HENPRBOQZDFZSD-YUAOJYLXSA-N -1 3 525.608 5.636 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1cccs1)CCCC2 ZINC000238923897 572189030 /nfs/dbraw/zinc/18/90/30/572189030.db2.gz QDOVJPPZPYWNSY-DNVJHFABSA-N -1 3 522.648 5.225 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000245238809 572212589 /nfs/dbraw/zinc/21/25/89/572212589.db2.gz BDKBPVWBEDYCAV-IXRJKUQISA-N -1 3 541.648 5.001 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245241484 572215490 /nfs/dbraw/zinc/21/54/90/572215490.db2.gz FTDBOAQUTSQRPF-DNVJHFABSA-N -1 3 559.471 6.208 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000245245203 572217404 /nfs/dbraw/zinc/21/74/04/572217404.db2.gz BTHXBGCMBIWQBY-JCYYIGJDSA-N -1 3 563.437 7.093 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(F)cc3)o2)c(C(=O)OC)c1C ZINC000245246155 572218840 /nfs/dbraw/zinc/21/88/40/572218840.db2.gz JODYNDBBHOQHEG-DSNGMDLFSA-N -1 3 604.612 5.470 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246787 572219802 /nfs/dbraw/zinc/21/98/02/572219802.db2.gz NTYZTCUSRHTOFQ-ZQOCDUSVSA-N -1 3 571.073 5.946 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000245246813 572219903 /nfs/dbraw/zinc/21/99/03/572219903.db2.gz OTRWQNZKWQMCSF-WPQKMFINSA-N -1 3 551.067 6.648 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246493 572219969 /nfs/dbraw/zinc/21/99/69/572219969.db2.gz MUNOBNJSMWTBIM-BCHNEZAYSA-N -1 3 564.682 5.991 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000245309079 572227124 /nfs/dbraw/zinc/22/71/24/572227124.db2.gz AOSBVAHWYYJNOM-UBFVSLLYSA-N -1 3 526.511 5.815 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245312633 572230354 /nfs/dbraw/zinc/23/03/54/572230354.db2.gz WQAQLDOMJVZVAW-WPQKMFINSA-N -1 3 516.622 5.913 50 0 KKAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)[C@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@@H]3[C@H]1C2 ZINC000252510623 572262133 /nfs/dbraw/zinc/26/21/33/572262133.db2.gz AUEDUNMNIPNDSG-WYJFYUAMSA-N -1 3 511.640 5.005 50 0 KKAAHM COc1c(I)cc(I)cc1CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(N2CCCCCC2)n1 ZINC000252620696 572269533 /nfs/dbraw/zinc/26/95/33/572269533.db2.gz MJYFPFBFIUUCJH-UHFFFAOYSA-N -1 3 714.306 5.568 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396087 572283964 /nfs/dbraw/zinc/28/39/64/572283964.db2.gz AUSQXERVLUTFPV-SXZDHJFLSA-N -1 3 735.783 5.257 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC=C1c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000103004198 1070968550 /nfs/dbraw/zinc/96/85/50/1070968550.db2.gz STKNSXQGIKUIKK-QJOMJCCJSA-N -1 3 594.476 6.443 50 0 KKAAHM Cc1nc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)co1 ZINC000952863596 1071296861 /nfs/dbraw/zinc/29/68/61/1071296861.db2.gz QTHHRUROGXIEHA-GDLZYMKVSA-N -1 3 511.578 5.141 50 0 KKAAHM Cc1nn(-c2ccccc2)c(N2CCCC2)c1CN=Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000254289428 1072843372 /nfs/dbraw/zinc/84/33/72/1072843372.db2.gz ICAAWRXJZNQWIJ-UHFFFAOYSA-N -1 3 580.070 5.589 50 0 KKAAHM CC(=NNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000254557313 1072863883 /nfs/dbraw/zinc/86/38/83/1072863883.db2.gz QQSXRKCSEURQKC-UHFFFAOYSA-N -1 3 583.522 7.156 50 0 KKAAHM O=C(NN=Cc1cc(Br)ccc1[O-])c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 ZINC000254745948 1072875576 /nfs/dbraw/zinc/87/55/76/1072875576.db2.gz GEVGZMHXOKKFAC-UHFFFAOYSA-N -1 3 525.790 5.541 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3)cc2)c(C)c1 ZINC000000645607 551507618 /nfs/dbraw/zinc/50/76/18/551507618.db2.gz RXRKYTDMNPABFN-UHFFFAOYSA-N -1 3 536.675 6.314 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Br)sc2c1CCCC2 ZINC000000707193 551531635 /nfs/dbraw/zinc/53/16/35/551531635.db2.gz BJUBLVPGAWTDKS-UHFFFAOYSA-N -1 3 583.386 6.140 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000000825578 551544720 /nfs/dbraw/zinc/54/47/20/551544720.db2.gz VVNZTBWEMYZROS-UHFFFAOYSA-N -1 3 511.685 5.789 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827034 551545203 /nfs/dbraw/zinc/54/52/03/551545203.db2.gz ATSJXSCWTNTVEB-UHFFFAOYSA-N -1 3 503.250 5.770 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000001239817 551630556 /nfs/dbraw/zinc/63/05/56/551630556.db2.gz FDCZYOXXXBUMBF-PCCBWWKXSA-N -1 3 531.417 5.509 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc(Br)c1[O-] ZINC000001283126 551636778 /nfs/dbraw/zinc/63/67/78/551636778.db2.gz XZOZWNARAZXDNI-LJQANCHMSA-N -1 3 513.731 5.068 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2cccc(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404634 551661751 /nfs/dbraw/zinc/66/17/51/551661751.db2.gz HDJMAJLMZBNLAZ-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2cccc(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404634 551661753 /nfs/dbraw/zinc/66/17/53/551661753.db2.gz HDJMAJLMZBNLAZ-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCCCCn1c([N-]C(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000001739451 551691232 /nfs/dbraw/zinc/69/12/32/551691232.db2.gz AOVVIOGRKVDKQG-UHFFFAOYSA-N -1 3 567.465 6.215 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001823604 551709372 /nfs/dbraw/zinc/70/93/72/551709372.db2.gz YPQDCPQVFUCCLG-LSYYVWMOSA-N -1 3 519.041 6.529 50 0 biogenic KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001853969 551716044 /nfs/dbraw/zinc/71/60/44/551716044.db2.gz OYNRONYGRHGLMX-OIFRRMEBSA-N -1 3 584.650 5.294 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)cc2)cc1 ZINC000002082068 551752007 /nfs/dbraw/zinc/75/20/07/551752007.db2.gz WIAOSLXDFAXLBU-UHFFFAOYSA-N -1 3 528.033 6.917 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1ccccc1OCC ZINC000002085855 551755688 /nfs/dbraw/zinc/75/56/88/551755688.db2.gz JOABHKJVXYLVMF-HSZRJFAPSA-N -1 3 557.388 5.000 50 0 KKAAHM CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(Cl)c1[O-] ZINC000002087089 551756813 /nfs/dbraw/zinc/75/68/13/551756813.db2.gz OJXCKVTZMACADE-GOSISDBHSA-N -1 3 509.813 5.674 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002096967 551761903 /nfs/dbraw/zinc/76/19/03/551761903.db2.gz VFEUILALMUPRPL-LADGPHEKSA-N -1 3 512.591 5.207 50 0 biogenic,in-vitro KKAAHM CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002105482 551763257 /nfs/dbraw/zinc/76/32/57/551763257.db2.gz PGVDEOBFDAWYLI-UHFFFAOYSA-N -1 3 544.988 6.617 50 0 KKAAHM COc1ccc2[nH]c3c(c2c1)C[C@@H](C(=O)[O-])N[C@H]3c1ccc(OC)c(CSc2nc3ccccc3s2)c1 ZINC000002119000 551769780 /nfs/dbraw/zinc/76/97/80/551769780.db2.gz RHRZCIDHHVPAFM-DHLKQENFSA-N -1 3 531.659 5.775 50 0 biogenic KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002401778 552111463 /nfs/dbraw/zinc/11/14/63/552111463.db2.gz HMGCWYIVECWVQW-DSNGMDLFSA-N -1 3 539.802 6.958 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002416374 552114854 /nfs/dbraw/zinc/11/48/54/552114854.db2.gz FGYBWTFVCYLGRF-VJGNERBWSA-N -1 3 524.960 5.610 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000002420737 552115640 /nfs/dbraw/zinc/11/56/40/552115640.db2.gz FOKPNSNZLXFBGO-BDTNDASRSA-N -1 3 519.768 5.412 50 0 KKAAHM CCCCc1cc(=O)oc2cc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002447829 552122082 /nfs/dbraw/zinc/12/20/82/552122082.db2.gz HNPGWWTUEHHVQG-MHZLTWQESA-N -1 3 540.037 5.723 50 0 KKAAHM O=C([N-]C(=O)c1ccc(C(F)(F)F)cc1)c1cnn(Cc2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002624828 552138674 /nfs/dbraw/zinc/13/86/74/552138674.db2.gz HOECTQDGKIGLQB-UHFFFAOYSA-N -1 3 560.454 5.792 50 0 KKAAHM O=C([N-]c1nnc(SCc2c(Cl)cccc2Cl)s1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002653782 552148029 /nfs/dbraw/zinc/14/80/29/552148029.db2.gz QADLZXLFSJMUGC-UHFFFAOYSA-N -1 3 538.485 7.242 50 0 KKAAHM CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002723592 552165805 /nfs/dbraw/zinc/16/58/05/552165805.db2.gz KCACCQDNBCMTLA-UHFFFAOYSA-N -1 3 517.032 5.303 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1ccccc1C(F)(F)F ZINC000002745214 552173171 /nfs/dbraw/zinc/17/31/71/552173171.db2.gz PSYPIKYSDUENKW-NRFANRHFSA-N -1 3 581.332 5.620 50 0 KKAAHM COC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002758894 552181242 /nfs/dbraw/zinc/18/12/42/552181242.db2.gz QPPPBHNARUPZQW-UHFFFAOYSA-N -1 3 547.007 7.877 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000002759399 552181780 /nfs/dbraw/zinc/18/17/80/552181780.db2.gz WBIQGAUCJFRJGE-QGZVFWFLSA-N -1 3 539.028 7.206 50 0 KKAAHM CCCOC(=O)c1c([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)sc(C)c1-c1ccc(C2CCCCC2)cc1 ZINC000002773900 552185961 /nfs/dbraw/zinc/18/59/61/552185961.db2.gz FZEONIWEXOVTQZ-UHFFFAOYSA-N -1 3 586.606 10.112 50 0 KKAAHM CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002805624 552195679 /nfs/dbraw/zinc/19/56/79/552195679.db2.gz TTXDKXMKMNYQLR-UHFFFAOYSA-N -1 3 550.833 5.310 50 0 KKAAHM CCc1c2c(N)c(C(=O)[N-]c3nsc(-c4ccc(Cl)cc4)n3)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000002890843 552211664 /nfs/dbraw/zinc/21/16/64/552211664.db2.gz JSMOWSHTANIXAL-UHFFFAOYSA-N -1 3 512.060 6.020 50 0 KKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002949176 552228721 /nfs/dbraw/zinc/22/87/21/552228721.db2.gz CBGROMFXVCITIY-UHFFFAOYSA-N -1 3 545.612 5.564 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000002959932 552233484 /nfs/dbraw/zinc/23/34/84/552233484.db2.gz AMRLBNBIYARJEM-NJYVYQBISA-N -1 3 545.220 5.016 50 0 KKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003166733 552298290 /nfs/dbraw/zinc/29/82/90/552298290.db2.gz PPJBYYRGKOSXIV-UHFFFAOYSA-N -1 3 513.962 5.390 50 0 KKAAHM O=C(Nc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003206121 552304594 /nfs/dbraw/zinc/30/45/94/552304594.db2.gz RWCKWZJPEUCGEK-UHFFFAOYSA-N -1 3 508.827 5.829 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003215115 552306530 /nfs/dbraw/zinc/30/65/30/552306530.db2.gz MOYOCVCNGJDLSN-UHFFFAOYSA-N -1 3 539.057 5.314 50 0 KKAAHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000003226614 552313144 /nfs/dbraw/zinc/31/31/44/552313144.db2.gz MHMAIZGSDVQMFG-IBGZPJMESA-N -1 3 582.103 5.533 50 0 KKAAHM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1OC ZINC000003229850 552314989 /nfs/dbraw/zinc/31/49/89/552314989.db2.gz LOCXJCBPCXFTDQ-UHFFFAOYSA-N -1 3 515.802 5.717 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Oc3ncnc4scc(-c5ccc(C)cc5)c43)cc2)cc1 ZINC000003268519 552330817 /nfs/dbraw/zinc/33/08/17/552330817.db2.gz FOJZXPMJFMHWDM-UHFFFAOYSA-N -1 3 503.605 6.268 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3cc(C)c(C)cc3C)CCCC2=O)cc1C ZINC000003282887 552336336 /nfs/dbraw/zinc/33/63/36/552336336.db2.gz FXVQEWWCBPTWSX-UHFFFAOYSA-N -1 3 564.729 6.049 50 0 KKAAHM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000003294755 552342164 /nfs/dbraw/zinc/34/21/64/552342164.db2.gz UGUZGYHTBFWFCH-OAQYLSRUSA-N -1 3 526.449 5.904 50 0 KKAAHM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000003294755 552342167 /nfs/dbraw/zinc/34/21/67/552342167.db2.gz UGUZGYHTBFWFCH-OAQYLSRUSA-N -1 3 526.449 5.904 50 0 KKAAHM O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000003294755 552342169 /nfs/dbraw/zinc/34/21/69/552342169.db2.gz UGUZGYHTBFWFCH-OAQYLSRUSA-N -1 3 526.449 5.904 50 0 KKAAHM CCc1cc2c(nc(S[C@@H](C)c3nc(=O)c4c(-c5ccccc5)csc4[n-]3)n(Cc3ccccc3)c2=O)s1 ZINC000003333104 552360297 /nfs/dbraw/zinc/36/02/97/552360297.db2.gz ZHSPAYBTWVMHLL-KRWDZBQOSA-N -1 3 556.738 6.887 50 0 KKAAHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000003352296 552367607 /nfs/dbraw/zinc/36/76/07/552367607.db2.gz ZLAKCTBRPLYECP-UHFFFAOYSA-N -1 3 524.986 5.676 50 0 KKAAHM O=C([O-])Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000003966253 552424290 /nfs/dbraw/zinc/42/42/90/552424290.db2.gz NAXSRXHZFIBFMI-UHFFFAOYSA-N -1 3 582.062 8.089 50 0 in-vivo KKAAHM COc1cc(C(=O)[N-]C(=O)CCc2cc(OC)c(OC)c(OCc3ccccc3)c2)ccc1OCc1ccccc1 ZINC000004566021 552467737 /nfs/dbraw/zinc/46/77/37/552467737.db2.gz JCKUWKCBFOPEBH-UHFFFAOYSA-N -1 3 555.627 5.760 50 0 KKAAHM CCN(CC)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000004794239 552486271 /nfs/dbraw/zinc/48/62/71/552486271.db2.gz FLPFBOIKJPSVGE-OAQYLSRUSA-N -1 3 550.544 5.194 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1 ZINC000005940324 552513435 /nfs/dbraw/zinc/51/34/35/552513435.db2.gz DPNHHNOFGPBWNA-UHFFFAOYSA-N -1 3 521.683 5.109 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000006142207 552543602 /nfs/dbraw/zinc/54/36/02/552543602.db2.gz FWUSQWTUKCTQJP-NJDAHSKKSA-N -1 3 517.301 5.519 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)c3nc4scc(-c5cccs5)c4c(=O)[nH]3)c2)cc1 ZINC000006152508 552551788 /nfs/dbraw/zinc/55/17/88/552551788.db2.gz RHJRHWSIZVVWBE-INIZCTEOSA-N -1 3 581.697 5.749 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000006879013 552976159 /nfs/dbraw/zinc/97/61/59/552976159.db2.gz UGMNTGKLPVLZDC-UHFFFAOYSA-N -1 3 613.843 6.810 50 0 KKAAHM CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(Br)c1[O-] ZINC000008417916 553012998 /nfs/dbraw/zinc/01/29/98/553012998.db2.gz OVHFUMJDKLPZKW-POLMPROESA-N -1 3 501.446 6.490 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000008683805 553112914 /nfs/dbraw/zinc/11/29/14/553112914.db2.gz DWMUVRGDQRFGKT-OAQYLSRUSA-N -1 3 548.600 5.331 50 0 aggregator KKAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000008683781 553112948 /nfs/dbraw/zinc/11/29/48/553112948.db2.gz CMAKWWNATDQENM-OAQYLSRUSA-N -1 3 530.610 5.192 50 0 aggregator KKAAHM O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000008687897 553116841 /nfs/dbraw/zinc/11/68/41/553116841.db2.gz XWCHINMVOYJUAI-VMPITWQZSA-N -1 3 538.478 5.344 50 0 KKAAHM COc1ccc(NC(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[n-]2)c(OC)c1 ZINC000008774317 553142048 /nfs/dbraw/zinc/14/20/48/553142048.db2.gz VNKZUIQYDPSIQM-UHFFFAOYSA-N -1 3 522.530 5.226 50 0 KKAAHM CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccc(OC)cc2)ccc1O ZINC000008845178 553165492 /nfs/dbraw/zinc/16/54/92/553165492.db2.gz IUZRROWOSACPKR-MHZLTWQESA-N -1 3 519.985 5.602 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000008845394 553165527 /nfs/dbraw/zinc/16/55/27/553165527.db2.gz RVCVNGHTFNFOPB-MHZLTWQESA-N -1 3 520.054 6.263 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009015894 553200602 /nfs/dbraw/zinc/20/06/02/553200602.db2.gz XFSUGYGOOWZZBR-GBXYDCMPSA-N -1 3 508.624 5.666 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009124674 553213043 /nfs/dbraw/zinc/21/30/43/553213043.db2.gz HPYVZEFKQYKPIK-HHHXNRCGSA-N -1 3 503.986 5.549 50 0 KKAAHM COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1OC ZINC000009209669 553220552 /nfs/dbraw/zinc/22/05/52/553220552.db2.gz KHZAAMXQQFUDEK-VWLOTQADSA-N -1 3 518.529 5.659 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679065 553295982 /nfs/dbraw/zinc/29/59/82/553295982.db2.gz AGQBRSUMWMIXLV-DEOSSOPVSA-N -1 3 506.356 5.312 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679065 553295984 /nfs/dbraw/zinc/29/59/84/553295984.db2.gz AGQBRSUMWMIXLV-DEOSSOPVSA-N -1 3 506.356 5.312 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679447 553296281 /nfs/dbraw/zinc/29/62/81/553296281.db2.gz CXNZHIHQIGJOES-MUUNZHRXSA-N -1 3 511.578 5.801 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009679447 553296283 /nfs/dbraw/zinc/29/62/83/553296283.db2.gz CXNZHIHQIGJOES-MUUNZHRXSA-N -1 3 511.578 5.801 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679403 553296412 /nfs/dbraw/zinc/29/64/12/553296412.db2.gz XVMHAYGXBFESSC-AREMUKBSSA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679403 553296413 /nfs/dbraw/zinc/29/64/13/553296413.db2.gz XVMHAYGXBFESSC-AREMUKBSSA-N -1 3 501.970 6.055 50 0 KKAAHM Cc1ccc(OCc2nc(SCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccco3)n[n-]2)cc1 ZINC000012541574 553389694 /nfs/dbraw/zinc/38/96/94/553389694.db2.gz DZCDCBLBZJZSLX-NRFANRHFSA-N -1 3 508.003 5.409 50 0 KKAAHM COc1ccccc1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000012573283 553398490 /nfs/dbraw/zinc/39/84/90/553398490.db2.gz ITISRBWVRHBUGM-UHFFFAOYSA-N -1 3 500.020 5.392 50 0 KKAAHM Cc1sc2[n-]c(CSCCOc3cccc(Br)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000013140738 553454188 /nfs/dbraw/zinc/45/41/88/553454188.db2.gz MIENQGLVQQBPJO-UHFFFAOYSA-N -1 3 501.471 6.343 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OC(F)(F)F)cc3)c2)cc1 ZINC000013146526 553455282 /nfs/dbraw/zinc/45/52/82/553455282.db2.gz RNNIVTDMCAYAOU-UHFFFAOYSA-N -1 3 510.490 5.046 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013758673 553488561 /nfs/dbraw/zinc/48/85/61/553488561.db2.gz QYSPWHCQALCUAM-UBFVSLLYSA-N -1 3 505.357 6.305 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000013810885 553492469 /nfs/dbraw/zinc/49/24/69/553492469.db2.gz APJKPZYGRPGHCC-VSKRKVRLSA-N -1 3 513.775 5.162 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc(Br)c1[O-] ZINC000015945361 553544032 /nfs/dbraw/zinc/54/40/32/553544032.db2.gz XJBAWUXMGSABFJ-QFIPXVFZSA-N -1 3 514.445 5.602 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc(Br)c1[O-] ZINC000016346014 553560406 /nfs/dbraw/zinc/56/04/06/553560406.db2.gz CMAHEYOCPMAGQT-IBGZPJMESA-N -1 3 513.731 5.068 50 0 KKAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000016737098 553579250 /nfs/dbraw/zinc/57/92/50/553579250.db2.gz BPAQERGDWAVWJI-UHFFFAOYSA-N -1 3 502.364 7.350 50 0 KKAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000017013705 553586589 /nfs/dbraw/zinc/58/65/89/553586589.db2.gz LPGACFUOYRSUEV-UHFFFAOYSA-N -1 3 502.438 5.082 50 0 KKAAHM O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000019943524 553646225 /nfs/dbraw/zinc/64/62/25/553646225.db2.gz KPYVIPRSYTUYED-UHFFFAOYSA-N -1 3 503.071 5.627 50 0 KKAAHM COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079188589 553666717 /nfs/dbraw/zinc/66/67/17/553666717.db2.gz KOJSBAGUPJUWER-XDHOINAOSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1OCC(C)C ZINC000079189826 553667330 /nfs/dbraw/zinc/66/73/30/553667330.db2.gz VFBNSYXOFDDVHW-FIVRVEOJSA-N -1 3 550.648 6.358 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 ZINC000079190254 553667674 /nfs/dbraw/zinc/66/76/74/553667674.db2.gz STERZSQPCMBDAR-LKTJGQTMSA-N -1 3 555.627 5.576 50 0 KKAAHM CC(C)COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079190989 553667902 /nfs/dbraw/zinc/66/79/02/553667902.db2.gz CJEQTPXISROELS-AYGLDWAOSA-N -1 3 520.622 6.350 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 ZINC000079191673 553668390 /nfs/dbraw/zinc/66/83/90/553668390.db2.gz FBPSYIIKRBDYNL-DXYBZBDNSA-N -1 3 536.577 5.095 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2c(c(Cl)c1)OCO2)CC(=O)O3 ZINC000079192803 553668609 /nfs/dbraw/zinc/66/86/09/553668609.db2.gz LWSHBAYMXIBTQB-DDRFLTIWSA-N -1 3 526.969 5.697 50 0 KKAAHM COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)cc1 ZINC000085877429 553689227 /nfs/dbraw/zinc/68/92/27/553689227.db2.gz QZUUVFAQWFIIJB-YFQVKYPKSA-N -1 3 572.610 6.362 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCc1ccccc1 ZINC000096221368 553730702 /nfs/dbraw/zinc/73/07/02/553730702.db2.gz HTMRNKVWUNYOGN-XMMPIXPASA-N -1 3 520.537 6.194 50 0 biogenic KKAAHM CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OCC)c1 ZINC000097939629 553759995 /nfs/dbraw/zinc/75/99/95/553759995.db2.gz BZJILRJNIZINSZ-UHFFFAOYSA-N -1 3 590.467 5.064 50 0 KKAAHM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852791 553761923 /nfs/dbraw/zinc/76/19/23/553761923.db2.gz UDVYFVWVGXUESR-SANMLTNESA-N -1 3 530.097 5.955 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097949342 553801677 /nfs/dbraw/zinc/80/16/77/553801677.db2.gz SCXOKRYRXXXEEK-QHAWAJNXSA-N -1 3 518.194 5.807 50 0 KKAAHM [O-]c1cc2ccccc2cc1-c1nc2c3c(ncn2n1)n(Cc1ccco1)c(-c1ccccc1)c3-c1ccccc1 ZINC000097951945 553812264 /nfs/dbraw/zinc/81/22/64/553812264.db2.gz PALNKIAGBJQKNN-UHFFFAOYSA-N -1 3 533.591 7.580 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000097954041 553820831 /nfs/dbraw/zinc/82/08/31/553820831.db2.gz QIZQNSIJWGZAPB-QHAWAJNXSA-N -1 3 518.194 5.807 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000097954468 553823551 /nfs/dbraw/zinc/82/35/51/553823551.db2.gz SXWCNTMBKSVPGS-VJGNERBWSA-N -1 3 504.558 5.454 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000097955062 553827895 /nfs/dbraw/zinc/82/78/95/553827895.db2.gz HEIXCPSUDITZCJ-QHAWAJNXSA-N -1 3 517.301 5.519 50 0 KKAAHM CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000097958234 553852432 /nfs/dbraw/zinc/85/24/32/553852432.db2.gz FNYGCNVTGKYSGK-UHFFFAOYSA-N -1 3 569.426 6.146 50 0 KKAAHM COc1ccccc1[C@H]1Nc2ccc(I)cc2C(=O)N1[N-]C(=O)c1ccccc1OCc1ccccc1 ZINC000097959392 553863401 /nfs/dbraw/zinc/86/34/01/553863401.db2.gz XDTNQEBFSCVVME-MHZLTWQESA-N -1 3 605.432 5.790 50 0 KKAAHM O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1cccc2ccccc21 ZINC000097966720 553909658 /nfs/dbraw/zinc/90/96/58/553909658.db2.gz CEARSOMZEYQIRR-MDWZMJQESA-N -1 3 595.234 6.782 50 0 KKAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000033357311 553947812 /nfs/dbraw/zinc/94/78/12/553947812.db2.gz MJKMOPBTBACUTM-SANMLTNESA-N -1 3 568.634 5.035 50 0 KKAAHM Cc1ccccc1CSC1=N[C@@H](c2ccc(Cl)cc2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2ccc(Cl)cc2)N1 ZINC000033357594 553949338 /nfs/dbraw/zinc/94/93/38/553949338.db2.gz MCQJRJIMEMIHAD-VXKWHMMOSA-N -1 3 553.471 6.170 50 0 KKAAHM Cc1ccccc1CSC1=N[C@@H](c2ccc(Cl)cc2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2ccc(Cl)cc2)N1 ZINC000033357594 553949342 /nfs/dbraw/zinc/94/93/42/553949342.db2.gz MCQJRJIMEMIHAD-VXKWHMMOSA-N -1 3 553.471 6.170 50 0 KKAAHM CC(=O)c1cccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)c2)c1 ZINC000033358118 553953060 /nfs/dbraw/zinc/95/30/60/553953060.db2.gz FIBGDZHQATYEAO-XPSVKZPYSA-N -1 3 656.805 5.064 50 0 biogenic KKAAHM CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000033358285 553954187 /nfs/dbraw/zinc/95/41/87/553954187.db2.gz ALSOYSLRAPHJEF-LIHGKODYSA-N -1 3 574.899 6.520 50 0 KKAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000008685492 561707456 /nfs/dbraw/zinc/70/74/56/561707456.db2.gz TZCDPJMXJYOUEA-VHPZCLMNSA-N -1 3 547.681 5.326 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C(F)(F)F)co2)s1)c1cccs1 ZINC000097990889 554029736 /nfs/dbraw/zinc/02/97/36/554029736.db2.gz OKBFSLRTFQOSOW-UHFFFAOYSA-N -1 3 539.538 5.335 50 0 KKAAHM CCOc1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1OCC ZINC000097990878 554029794 /nfs/dbraw/zinc/02/97/94/554029794.db2.gz XONQHJYYEDDGLW-UHFFFAOYSA-N -1 3 559.647 5.114 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000098000152 554048755 /nfs/dbraw/zinc/04/87/55/554048755.db2.gz GUJNKBADFJYEPG-UBFVSLLYSA-N -1 3 584.253 7.067 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccc(OC)cc1)(C(=O)OC)C(F)(F)F ZINC000098003616 554055365 /nfs/dbraw/zinc/05/53/65/554055365.db2.gz IISLRZJIHOPSQH-VWLOTQADSA-N -1 3 550.555 5.182 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000098006807 554062423 /nfs/dbraw/zinc/06/24/23/554062423.db2.gz NDYNEVJFBYYGOU-UHFFFAOYSA-N -1 3 582.146 6.532 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000035848053 554083569 /nfs/dbraw/zinc/08/35/69/554083569.db2.gz DZRIKHROLQXSLL-NJDAHSKKSA-N -1 3 507.295 6.063 50 0 KKAAHM CC[C@H](C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946422 554103211 /nfs/dbraw/zinc/10/32/11/554103211.db2.gz GWZXFBBOFXUUNQ-NDEPHWFRSA-N -1 3 535.710 5.494 50 0 KKAAHM O=C(CSc1ccccn1)Nc1cc(C(c2ccc(O)c(NC(=O)CSc3ccccn3)c2)(C(F)(F)F)C(F)(F)F)ccc1[O-] ZINC000098043364 554126699 /nfs/dbraw/zinc/12/66/99/554126699.db2.gz XMIQCRSAYCSCKC-UHFFFAOYSA-N -1 3 668.641 6.760 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000098046960 554145440 /nfs/dbraw/zinc/14/54/40/554145440.db2.gz OTWGSXCFGHPGLU-MHZLTWQESA-N -1 3 538.431 6.203 50 0 KKAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000098050214 554173223 /nfs/dbraw/zinc/17/32/23/554173223.db2.gz SQAQMURKIMYPOZ-UMFKEYKBSA-N -1 3 651.092 6.183 50 0 KKAAHM COc1ccccc1-n1c(/C=C/c2cc(Br)ccc2[O-])nc2ccc(Br)cc2c1=O ZINC000100051385 554194921 /nfs/dbraw/zinc/19/49/21/554194921.db2.gz WVJKCTFYWQZZRL-IZZDOVSWSA-N -1 3 528.200 5.795 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(C[C@@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205358 554201136 /nfs/dbraw/zinc/20/11/36/554201136.db2.gz BQPSENSCVSOJSF-VWLOTQADSA-N -1 3 501.696 6.007 50 0 KKAAHM CC(C)(C)OC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000036206171 554201448 /nfs/dbraw/zinc/20/14/48/554201448.db2.gz NFBCXELWAHDDDB-SFHVURJKSA-N -1 3 502.036 5.076 50 0 KKAAHM CC(C)(C)OC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000036206168 554201454 /nfs/dbraw/zinc/20/14/54/554201454.db2.gz NFBCXELWAHDDDB-GOSISDBHSA-N -1 3 502.036 5.076 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(CC(C)C)C[C@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207568 554202547 /nfs/dbraw/zinc/20/25/47/554202547.db2.gz AROOQDWVQRQWCT-QHCPKHFHSA-N -1 3 505.684 5.475 50 0 KKAAHM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000041096937 554294907 /nfs/dbraw/zinc/29/49/07/554294907.db2.gz RKYAROIZEGLJNZ-UHFFFAOYSA-N -1 3 516.547 5.359 50 0 KKAAHM Cc1cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)ccc1Br ZINC000059515054 554402014 /nfs/dbraw/zinc/40/20/14/554402014.db2.gz NVISBZLZAPNWRI-KRWDZBQOSA-N -1 3 558.317 5.110 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000100596618 554430021 /nfs/dbraw/zinc/43/00/21/554430021.db2.gz FYWJWWQPWRZLQL-GJZGRUSLSA-N -1 3 602.994 6.312 50 0 KKAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2cccc(Cl)c2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000059796641 554430708 /nfs/dbraw/zinc/43/07/08/554430708.db2.gz HOWODFMNUSTFNW-UHFFFAOYSA-N -1 3 604.935 5.422 50 0 KKAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2N=C(c4cccs4)C[C@H]2c2ccc(F)cc2)[n-]c3=O)cc1 ZINC000100821358 554480824 /nfs/dbraw/zinc/48/08/24/554480824.db2.gz VYSKISXUSXIIQM-QFIPXVFZSA-N -1 3 544.637 5.088 50 0 KKAAHM CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000067665173 554533259 /nfs/dbraw/zinc/53/32/59/554533259.db2.gz RIUQREUAFRCKLE-UHFFFAOYSA-N -1 3 665.241 9.283 50 0 in-vitro KKAAHM CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000067665173 554533262 /nfs/dbraw/zinc/53/32/62/554533262.db2.gz RIUQREUAFRCKLE-UHFFFAOYSA-N -1 3 665.241 9.283 50 0 in-vitro KKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957563 554540481 /nfs/dbraw/zinc/54/04/81/554540481.db2.gz GYLCMMSZPIUBKY-UHFFFAOYSA-N -1 3 557.417 5.678 50 0 KKAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000100958425 554541360 /nfs/dbraw/zinc/54/13/60/554541360.db2.gz TZWHFKKEPFESLL-XPCGLTFESA-N -1 3 612.514 5.089 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101023794 554562695 /nfs/dbraw/zinc/56/26/95/554562695.db2.gz FNDYDIKFWGWYQF-XAEBNIDXSA-N -1 3 536.628 5.292 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1Cl ZINC000101070648 554574995 /nfs/dbraw/zinc/57/49/95/554574995.db2.gz QHONSMPLHQZFEO-FPOVZHCZSA-N -1 3 515.194 5.538 50 0 KKAAHM O=C1c2ccccc2C(=CNc2ccc(Br)cc2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000101075671 554577200 /nfs/dbraw/zinc/57/72/00/554577200.db2.gz KTPHXTMZNBJTRM-ULJHMMPZSA-N -1 3 592.446 6.029 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101091114 554582184 /nfs/dbraw/zinc/58/21/84/554582184.db2.gz AWTMRMZOPKALKI-NLDZOOGBSA-N -1 3 534.568 5.274 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccc(Cl)cc1Cl ZINC000101126463 554645708 /nfs/dbraw/zinc/64/57/08/554645708.db2.gz RGMSCIUEXKEGHY-BHIFYINESA-N -1 3 545.444 5.818 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101231990 554689487 /nfs/dbraw/zinc/68/94/87/554689487.db2.gz APJKPZYGRPGHCC-BDTNDASRSA-N -1 3 513.775 5.162 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3nnc(SCc4c(F)cccc4Cl)[n-]3)[C@H]2c2ccccc2F)cc1 ZINC000101298575 554712545 /nfs/dbraw/zinc/71/25/45/554712545.db2.gz KIFKERJCOVICBW-QFIPXVFZSA-N -1 3 524.980 6.394 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3nc(SCc4c(F)cccc4Cl)n[n-]3)[C@H]2c2ccccc2F)cc1 ZINC000101298575 554712550 /nfs/dbraw/zinc/71/25/50/554712550.db2.gz KIFKERJCOVICBW-QFIPXVFZSA-N -1 3 524.980 6.394 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3n[n-]c(SCc4c(F)cccc4Cl)n3)[C@H]2c2ccccc2F)cc1 ZINC000101298575 554712554 /nfs/dbraw/zinc/71/25/54/554712554.db2.gz KIFKERJCOVICBW-QFIPXVFZSA-N -1 3 524.980 6.394 50 0 KKAAHM O=C(Nc1nnc(-c2ccccc2)s1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101436310 554772072 /nfs/dbraw/zinc/77/20/72/554772072.db2.gz HOFTYMZTPHRTFA-IBGZPJMESA-N -1 3 533.462 5.040 50 0 KKAAHM CC(C)C[C@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1 ZINC000101813900 554839967 /nfs/dbraw/zinc/83/99/67/554839967.db2.gz OSXIHMOIHNFWSI-NRFANRHFSA-N -1 3 538.714 5.414 50 0 KKAAHM Nc1c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)sc(Nc2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000102192784 554895110 /nfs/dbraw/zinc/89/51/10/554895110.db2.gz IXYOSNANEBXUNQ-NRFANRHFSA-N -1 3 558.960 5.882 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102552573 554962753 /nfs/dbraw/zinc/96/27/53/554962753.db2.gz BBOHAIIIDKKKOY-IARZGTGTSA-N -1 3 556.521 5.244 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000102561479 554968217 /nfs/dbraw/zinc/96/82/17/554968217.db2.gz FQGSVNRQXHCQSE-CTMYTVLESA-N -1 3 563.028 6.644 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102562526 554968590 /nfs/dbraw/zinc/96/85/90/554968590.db2.gz ZDHMENHNRNTZHL-ZONZVBGPSA-N -1 3 561.015 5.159 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102727316 555022375 /nfs/dbraw/zinc/02/23/75/555022375.db2.gz XECHRCZXJANQFM-TZRRMPRUSA-N -1 3 504.373 5.901 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102740126 555029154 /nfs/dbraw/zinc/02/91/54/555029154.db2.gz VEBFZECWXXXTMH-ZONZVBGPSA-N -1 3 521.013 5.969 50 0 KKAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1 ZINC000102745007 555036341 /nfs/dbraw/zinc/03/63/41/555036341.db2.gz WOROXRRIVKNXOH-VABKMULXSA-N -1 3 605.272 5.033 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000102751521 555044544 /nfs/dbraw/zinc/04/45/44/555044544.db2.gz YBRGIXYXKSSPOO-OZNIXHKMSA-N -1 3 504.542 5.265 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000102753860 555045714 /nfs/dbraw/zinc/04/57/14/555045714.db2.gz WTJIPHOSJJPFAA-GMQQYTKMSA-N -1 3 549.410 6.703 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000102758454 555050326 /nfs/dbraw/zinc/05/03/26/555050326.db2.gz WYYYTXNFYZOAJH-KKUQBAQOSA-N -1 3 519.384 6.613 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102758882 555050876 /nfs/dbraw/zinc/05/08/76/555050876.db2.gz OATLEPQUFIVYPC-YPAWHYETSA-N -1 3 513.775 5.162 50 0 KKAAHM CC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102761055 555052514 /nfs/dbraw/zinc/05/25/14/555052514.db2.gz DTRNDXUFWWURGR-IDZRBWSNSA-N -1 3 518.569 5.519 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102763008 555053689 /nfs/dbraw/zinc/05/36/89/555053689.db2.gz MENVRHRUVZKQLR-DSNGMDLFSA-N -1 3 537.410 5.298 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102768423 555056180 /nfs/dbraw/zinc/05/61/80/555056180.db2.gz ZAFDJCICHZAOBI-OYUWMTPXSA-N -1 3 515.396 6.712 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866345 555095554 /nfs/dbraw/zinc/09/55/54/555095554.db2.gz XDLGDMKLZCIDCX-NLDZOOGBSA-N -1 3 552.558 5.413 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102868513 555097936 /nfs/dbraw/zinc/09/79/36/555097936.db2.gz HPNZLCQQRNYUOT-SSBOKUKZSA-N -1 3 555.417 7.458 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102888442 555121527 /nfs/dbraw/zinc/12/15/27/555121527.db2.gz KOCHPUKKFCJRIZ-WKLUVDBGSA-N -1 3 550.655 5.682 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102888446 555121881 /nfs/dbraw/zinc/12/18/81/555121881.db2.gz KOCHPUKKFCJRIZ-MNFIMQGSSA-N -1 3 550.655 5.682 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102892647 555129066 /nfs/dbraw/zinc/12/90/66/555129066.db2.gz MNGDKBFIEHHTNZ-DSNGMDLFSA-N -1 3 574.247 7.611 50 0 KKAAHM C[C@@H](C(=O)c1cc(Br)ccc1[O-])c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000102909345 555142187 /nfs/dbraw/zinc/14/21/87/555142187.db2.gz AKFCWJXPNPCJAO-MRXNPFEDSA-N -1 3 538.467 5.645 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc2sc3ccccc3c2s1 ZINC000102934338 555161521 /nfs/dbraw/zinc/16/15/21/555161521.db2.gz BYJFYNQPBXYRSG-UHFFFAOYSA-N -1 3 584.144 6.659 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCCC1)c1cccc(Oc2ccccc2)c1 ZINC000102958101 555174445 /nfs/dbraw/zinc/17/44/45/555174445.db2.gz YZZQKWIXLQQOFD-UHFFFAOYSA-N -1 3 562.091 7.176 50 0 KKAAHM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)ccc1Cl ZINC000102963513 555179557 /nfs/dbraw/zinc/17/95/57/555179557.db2.gz RQMMQIHVLRJRNC-UHFFFAOYSA-N -1 3 625.600 5.677 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)c2)cc1 ZINC000102974756 555184408 /nfs/dbraw/zinc/18/44/08/555184408.db2.gz CNQHCSYTKIFNTP-UHFFFAOYSA-N -1 3 567.092 6.419 50 0 KKAAHM Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@H](C)CCCC(C)C ZINC000103141069 555310436 /nfs/dbraw/zinc/31/04/36/555310436.db2.gz HZXQGJDMFJMLTB-HSZRJFAPSA-N -1 3 626.248 7.826 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103523668 555427577 /nfs/dbraw/zinc/42/75/77/555427577.db2.gz QEIGNHXEFMNDAG-GBXYDCMPSA-N -1 3 543.069 6.319 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103534089 555434437 /nfs/dbraw/zinc/43/44/37/555434437.db2.gz GNKJRLMXOWXUNH-NBJHOTSESA-N -1 3 549.001 6.335 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000105795886 571408722 /nfs/dbraw/zinc/40/87/22/571408722.db2.gz YPNBMVQWNKQRHU-JFHPUIQFSA-N -1 3 596.611 5.893 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000105795274 571408739 /nfs/dbraw/zinc/40/87/39/571408739.db2.gz CQUVIFAURCHYJI-OJDZSJEKSA-N -1 3 578.621 5.754 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000106015059 571410287 /nfs/dbraw/zinc/41/02/87/571410287.db2.gz XFELALQDBMLPHO-OIFRRMEBSA-N -1 3 584.650 5.294 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000106014579 571410342 /nfs/dbraw/zinc/41/03/42/571410342.db2.gz ODEHUGNLBCBGRS-OZNIXHKMSA-N -1 3 563.437 7.093 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000106018075 571410507 /nfs/dbraw/zinc/41/05/07/571410507.db2.gz FBSHMUUKVBFUCM-UPRLRBBYSA-N -1 3 555.428 6.079 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106020208 571410873 /nfs/dbraw/zinc/41/08/73/571410873.db2.gz ULZKVTIAJPOSSB-IDZRBWSNSA-N -1 3 599.481 6.478 50 0 KKAAHM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)cc2OC)cc1 ZINC000108447689 571423780 /nfs/dbraw/zinc/42/37/80/571423780.db2.gz MJXLJJUGLAHVOK-AREMUKBSSA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000136183002 571449205 /nfs/dbraw/zinc/44/92/05/571449205.db2.gz HIOGIZPYTOEBLB-UPRLRBBYSA-N -1 3 516.594 5.324 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000136633695 571449592 /nfs/dbraw/zinc/44/95/92/571449592.db2.gz KJVIXBVZEXEVAM-PWRODBHTSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000136631040 571449618 /nfs/dbraw/zinc/44/96/18/571449618.db2.gz RLCNXIWLOUMWJM-QKNQBKEWSA-N -1 3 508.188 6.351 50 0 KKAAHM COc1ccc(C(NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000150339651 571457548 /nfs/dbraw/zinc/45/75/48/571457548.db2.gz CTYHQVFFQRDJSN-LHEWISCISA-N -1 3 640.780 7.739 50 0 KKAAHM O=C(Oc1ccc(C(=O)C(=C([O-])c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362587 571464012 /nfs/dbraw/zinc/46/40/12/571464012.db2.gz VRTHGOXJQXSJGT-WJOKGBTCSA-N -1 3 747.241 10.895 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2C2CCCCC2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000150392015 571474265 /nfs/dbraw/zinc/47/42/65/571474265.db2.gz IZNSMLWNJDCPMN-UHFFFAOYSA-N -1 3 644.885 8.996 50 0 KKAAHM COc1cc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)c3ccccc3n2)cc(OC)c1OC ZINC000150408291 571480768 /nfs/dbraw/zinc/48/07/68/571480768.db2.gz SYKCDGBTCNNWMZ-UHFFFAOYSA-N -1 3 689.190 6.471 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2Cc2ccccc2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150412587 571484382 /nfs/dbraw/zinc/48/43/82/571484382.db2.gz DRMCXFFSPFEYEY-UHFFFAOYSA-N -1 3 666.891 8.517 50 0 KKAAHM CC1(C)C[C@H](n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCC2)CCO1 ZINC000150428552 571492107 /nfs/dbraw/zinc/49/21/07/571492107.db2.gz WFPCACVQYOAFGR-MUUNZHRXSA-N -1 3 674.911 8.621 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)N1N=C2C(=Cc3cccc(Cl)c3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000150616761 571523165 /nfs/dbraw/zinc/52/31/65/571523165.db2.gz PWDLJUBLRXKMDV-BERMACHUSA-N -1 3 726.633 9.700 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150661364 571527373 /nfs/dbraw/zinc/52/73/73/571527373.db2.gz MVJZENSCQPGAAN-GMQQYTKMSA-N -1 3 640.670 5.290 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000150661365 571527383 /nfs/dbraw/zinc/52/73/83/571527383.db2.gz MVJZENSCQPGAAN-KWXIBIRDSA-N -1 3 640.670 5.290 50 0 KKAAHM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000170620900 571562632 /nfs/dbraw/zinc/56/26/32/571562632.db2.gz QTIPIEDCOGDDPQ-BHDDXSALSA-N -1 3 530.886 5.197 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226815475 572142113 /nfs/dbraw/zinc/14/21/13/572142113.db2.gz WESRLCLWSYRRLZ-JIMJEQGWSA-N -1 3 506.986 5.579 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000226831448 572142778 /nfs/dbraw/zinc/14/27/78/572142778.db2.gz JNBDVLHASKLWEB-PCCBWWKXSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000226931916 572145978 /nfs/dbraw/zinc/14/59/78/572145978.db2.gz WCOFXYXKDHFUEJ-PCCBWWKXSA-N -1 3 518.194 5.807 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000227018263 572146839 /nfs/dbraw/zinc/14/68/39/572146839.db2.gz CQUVIFAURCHYJI-RWSKJCERSA-N -1 3 578.621 5.754 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(F)cc3)o2)c(C(=O)OC)c1C ZINC000227070565 572149069 /nfs/dbraw/zinc/14/90/69/572149069.db2.gz JODYNDBBHOQHEG-CCDWMCETSA-N -1 3 604.612 5.470 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000227070861 572149145 /nfs/dbraw/zinc/14/91/45/572149145.db2.gz FDJLEYGRIBCKQC-CCDWMCETSA-N -1 3 631.253 6.909 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(-c3ccc(F)cc3)o1)C[C@H](C(C)(C)C)CC2 ZINC000229868646 572163147 /nfs/dbraw/zinc/16/31/47/572163147.db2.gz XADVKYJPWGMYDS-GGGCIOHNSA-N -1 3 628.722 7.136 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229877881 572164519 /nfs/dbraw/zinc/16/45/19/572164519.db2.gz HFKVUXRQAYZYBS-URSNNPPXSA-N -1 3 681.586 7.755 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(=O)c3ccccc3)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000229882711 572165280 /nfs/dbraw/zinc/16/52/80/572165280.db2.gz IEVKQGODKUBHKW-RSRGSJRXSA-N -1 3 664.780 6.956 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(F)cc1)C[C@H](C(C)(C)C)CC2 ZINC000229934964 572171250 /nfs/dbraw/zinc/17/12/50/572171250.db2.gz DHGOHVNIBQWKDW-SXEIHZRZSA-N -1 3 562.663 5.876 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cc(Br)ccc1OC)C[C@H](C(C)(C)C)CC2 ZINC000229949577 572173139 /nfs/dbraw/zinc/17/31/39/572173139.db2.gz SKWSTHUBXPHTHA-KKFZJUPQSA-N -1 3 653.595 6.508 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000230000771 572177629 /nfs/dbraw/zinc/17/76/29/572177629.db2.gz QIZQNSIJWGZAPB-PWRODBHTSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000230030155 572180009 /nfs/dbraw/zinc/18/00/09/572180009.db2.gz SCXOKRYRXXXEEK-PWRODBHTSA-N -1 3 518.194 5.807 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000230057227 572181705 /nfs/dbraw/zinc/18/17/05/572181705.db2.gz YXZMETQFKGFUTE-RBZQAINGSA-N -1 3 507.384 5.289 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245241753 572216254 /nfs/dbraw/zinc/21/62/54/572216254.db2.gz ODXIADHJUOJQLU-YPAWHYETSA-N -1 3 545.444 5.900 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000245245198 572217216 /nfs/dbraw/zinc/21/72/16/572217216.db2.gz BNIOAGSFSYMSRP-DYIKCSJPSA-N -1 3 564.594 5.364 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000245246795 572219928 /nfs/dbraw/zinc/21/99/28/572219928.db2.gz ODEHUGNLBCBGRS-JCYYIGJDSA-N -1 3 563.437 7.093 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(SC)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000245246853 572220227 /nfs/dbraw/zinc/22/02/27/572220227.db2.gz PTDBYXRJBFKEMT-QSFFNLKPSA-N -1 3 590.767 6.459 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000245309989 572228166 /nfs/dbraw/zinc/22/81/66/572228166.db2.gz GQBTWXTZAZMSLV-JCYYIGJDSA-N -1 3 510.977 5.970 50 0 KKAAHM CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000245311355 572229343 /nfs/dbraw/zinc/22/93/43/572229343.db2.gz NWLXEDGWYHCHDE-JCYYIGJDSA-N -1 3 516.594 5.411 50 0 KKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245311634 572229415 /nfs/dbraw/zinc/22/94/15/572229415.db2.gz PHZGVBIVILFIRP-SSBOKUKZSA-N -1 3 518.569 5.519 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000245312086 572229736 /nfs/dbraw/zinc/22/97/36/572229736.db2.gz SCCKIMDCSYGQJK-UBFVSLLYSA-N -1 3 537.410 5.298 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245312040 572229850 /nfs/dbraw/zinc/22/98/50/572229850.db2.gz RXRRNGSZPYTQOJ-NXNJFABFSA-N -1 3 503.385 5.556 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000245325938 572231895 /nfs/dbraw/zinc/23/18/95/572231895.db2.gz HZSICYNQWBCOCM-TWJOJJKGSA-N -1 3 513.981 5.728 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000247813402 572245573 /nfs/dbraw/zinc/24/55/73/572245573.db2.gz ATNWEVGNFUJBPF-BHIFYINESA-N -1 3 502.876 5.598 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340637 572258435 /nfs/dbraw/zinc/25/84/35/572258435.db2.gz VFFRXJDXMHLXLI-AOFBEVEVSA-N -1 3 541.607 5.336 50 0 KKAAHM COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413195 572288372 /nfs/dbraw/zinc/28/83/72/572288372.db2.gz UCICMEZSJCENSS-OSPAZUARSA-N -1 3 703.741 5.002 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)Nc3cccc(S(=O)(=O)Nc4cc(C)ccc4Br)c3)cc2)cc1 ZINC000150626037 1071175716 /nfs/dbraw/zinc/17/57/16/1071175716.db2.gz SFLBEQQSPINMTC-MFOYZWKCSA-N -1 3 656.580 6.020 50 0 KKAAHM O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CCN2Cc2ccccn2)Oc2ccc([O-])c1c2 ZINC000952863489 1071296974 /nfs/dbraw/zinc/29/69/74/1071296974.db2.gz PNIBNZKQGGATDV-PMERELPUSA-N -1 3 507.590 5.240 50 0 KKAAHM COCc1cccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)n1 ZINC000952856262 1071297747 /nfs/dbraw/zinc/29/77/47/1071297747.db2.gz CNJXVAUHKYIAKU-WJOKGBTCSA-N -1 3 565.626 5.026 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NN=C(C#N)C(=O)c3cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3C)c2)cc1 ZINC000254309101 1072846708 /nfs/dbraw/zinc/84/67/08/1072846708.db2.gz MASCIFDKXJHAMM-UHFFFAOYSA-N -1 3 672.167 5.529 50 0 KKAAHM O=[N+]([O-])c1ccc(N=NCc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254399613 1072852919 /nfs/dbraw/zinc/85/29/19/1072852919.db2.gz XCRXIIQCSTZITG-UHFFFAOYSA-N -1 3 599.094 5.455 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3N=Nc3ccc(C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000254555891 1072863316 /nfs/dbraw/zinc/86/33/16/1072863316.db2.gz QCKOINKUDFMPMG-UHFFFAOYSA-N -1 3 629.142 7.223 50 0 KKAAHM O=C1Nc2ccc(Cl)cc2[C@@]12[N-]c1ccccc1-c1nnc(SCc3ccc(Cl)cc3)nc1O2 ZINC000000684372 551525262 /nfs/dbraw/zinc/52/52/62/551525262.db2.gz VEKUXUQJZRBJMZ-DEOSSOPVSA-N -1 3 508.390 5.747 50 0 KKAAHM CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2C)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000000944053 551588207 /nfs/dbraw/zinc/58/82/07/551588207.db2.gz XNNWYXUMPGZSKG-UHFFFAOYSA-N -1 3 554.690 5.398 50 0 KKAAHM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1C(F)(F)F ZINC000001027228 551597895 /nfs/dbraw/zinc/59/78/95/551597895.db2.gz NYRQENWZGAFVRJ-UHFFFAOYSA-N -1 3 508.305 5.175 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000001214820 551626310 /nfs/dbraw/zinc/62/63/10/551626310.db2.gz BLDCYMSJAVOYEF-PBHICJAKSA-N -1 3 515.717 5.917 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3c(C)cc(C)cc3C)CC(C)(C)CC2=O)c(C)c1 ZINC000001773957 551697135 /nfs/dbraw/zinc/69/71/35/551697135.db2.gz XBKVYTKQLKVWSX-UHFFFAOYSA-N -1 3 592.783 6.685 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001869201 551719079 /nfs/dbraw/zinc/71/90/79/551719079.db2.gz FUWAYZYFEKSGHJ-OCBJUFRSSA-N -1 3 589.475 7.022 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000001890554 551726483 /nfs/dbraw/zinc/72/64/83/551726483.db2.gz YVTFFVFKFYNBFH-IWWXRALLSA-N -1 3 588.591 6.258 50 0 KKAAHM O=C1Nc2ccc(Br)cc2[C@@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3)nc1O2 ZINC000002073742 551748278 /nfs/dbraw/zinc/74/82/78/551748278.db2.gz CPQNTNWKLIMDKN-DEOSSOPVSA-N -1 3 518.396 5.203 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1ccccc1OCC ZINC000002085854 551755692 /nfs/dbraw/zinc/75/56/92/551755692.db2.gz JOABHKJVXYLVMF-QHCPKHFHSA-N -1 3 557.388 5.000 50 0 KKAAHM CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccc(Br)cc1-2 ZINC000002087007 551756531 /nfs/dbraw/zinc/75/65/31/551756531.db2.gz MUNGDTNRDBSRBL-KRWDZBQOSA-N -1 3 540.237 5.393 50 0 KKAAHM [O-]c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1Br ZINC000002087005 551756599 /nfs/dbraw/zinc/75/65/99/551756599.db2.gz XQXYDLQCQGJUON-NRFANRHFSA-N -1 3 527.831 6.456 50 0 KKAAHM CCSc1nnc2c(n1)O[C@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccc(Br)cc1-2 ZINC000002087006 551756615 /nfs/dbraw/zinc/75/66/15/551756615.db2.gz MUNGDTNRDBSRBL-QGZVFWFLSA-N -1 3 540.237 5.393 50 0 KKAAHM CC[C@@H](C)c1ccc(-c2csc([N-]C(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)c2C(=O)OC)cc1 ZINC000002091314 551758914 /nfs/dbraw/zinc/75/89/14/551758914.db2.gz BVYXLPCZYRANEW-CQSZACIVSA-N -1 3 543.472 8.238 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)CCCCC2 ZINC000002095404 551761240 /nfs/dbraw/zinc/76/12/40/551761240.db2.gz YRSVFVQKFWNNEC-UHFFFAOYSA-N -1 3 569.030 6.889 50 0 KKAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@H]12 ZINC000002098194 551762100 /nfs/dbraw/zinc/76/21/00/551762100.db2.gz LKLZRYIWPSGWBV-QJGCUMMJSA-N -1 3 518.400 5.008 50 0 biogenic KKAAHM CCCCCCc1cc2c3c(c(=O)oc2cc1OC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1)CCC3 ZINC000002106656 551764403 /nfs/dbraw/zinc/76/44/03/551764403.db2.gz RWMRLGLPXFJJCX-WJOKGBTCSA-N -1 3 573.711 6.338 50 0 biogenic KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000002112945 551768454 /nfs/dbraw/zinc/76/84/54/551768454.db2.gz UKRHWEYYVGBMSI-UHFFFAOYSA-N -1 3 587.001 6.106 50 0 KKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@@H](c1ccc(Br)cc1)S[C@@H]3c1ccc(Br)cc1 ZINC000002117809 551769638 /nfs/dbraw/zinc/76/96/38/551769638.db2.gz GJHRLSBKKHYUGN-DOTOQJQBSA-N -1 3 565.381 7.581 50 0 KKAAHM COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])N[C@@H]3c1ccc(OC)c(CSc2nc3ccccc3s2)c1 ZINC000002118996 551769800 /nfs/dbraw/zinc/76/98/00/551769800.db2.gz RHRZCIDHHVPAFM-RCZVLFRGSA-N -1 3 531.659 5.775 50 0 biogenic KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002139666 551774648 /nfs/dbraw/zinc/77/46/48/551774648.db2.gz WGOJINLFMMHVFP-URXFXBBRSA-N -1 3 501.633 5.767 50 0 biogenic KKAAHM CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002152050 551779027 /nfs/dbraw/zinc/77/90/27/551779027.db2.gz UHRCAKHYXKGXNA-MHZLTWQESA-N -1 3 519.619 5.378 50 0 biogenic KKAAHM O=C([N-]c1ccc(F)cc1F)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000002279159 551805813 /nfs/dbraw/zinc/80/58/13/551805813.db2.gz VZMZBFRYEKLHFW-UHFFFAOYSA-N -1 3 531.666 6.362 50 0 KKAAHM O=C(Nc1nc2ccc(Br)cc2s1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000002340417 552097769 /nfs/dbraw/zinc/09/77/69/552097769.db2.gz YZWRRMBDDWXSOL-UHFFFAOYSA-N -1 3 510.413 5.106 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002351333 552100015 /nfs/dbraw/zinc/10/00/15/552100015.db2.gz MAJYQGLBNFTPEE-JOCHJYFZSA-N -1 3 524.371 5.214 50 0 KKAAHM COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002357584 552101641 /nfs/dbraw/zinc/10/16/41/552101641.db2.gz JRAWYNDUBPIEKX-FQEVSTJZSA-N -1 3 510.340 5.225 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(N)=O)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000002643894 552144041 /nfs/dbraw/zinc/14/40/41/552144041.db2.gz HMPVWPIIWUNFPE-QGZVFWFLSA-N -1 3 536.123 5.364 50 0 KKAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]c3=O)cc1C ZINC000002718074 552162318 /nfs/dbraw/zinc/16/23/18/552162318.db2.gz WQPDFGJGRXJUJS-UHFFFAOYSA-N -1 3 507.925 5.129 50 0 KKAAHM CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000002723439 552165588 /nfs/dbraw/zinc/16/55/88/552165588.db2.gz RCTLYNOYMKTRKZ-UHFFFAOYSA-N -1 3 511.003 5.242 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(C)c(C)c4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000002738173 552170734 /nfs/dbraw/zinc/17/07/34/552170734.db2.gz TVTVYOQGBMYVPU-UHFFFAOYSA-N -1 3 574.581 6.008 50 0 KKAAHM COc1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000002747150 552174241 /nfs/dbraw/zinc/17/42/41/552174241.db2.gz ASRJSIPOSXYEPB-HHHXNRCGSA-N -1 3 558.432 5.948 50 0 KKAAHM CCOc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2I)cc1 ZINC000002748651 552175222 /nfs/dbraw/zinc/17/52/22/552175222.db2.gz ZUNGUKARDDXELX-NRFANRHFSA-N -1 3 592.231 5.364 50 0 KKAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1sc(C)c(-c2ccc(C(C)C)cc2)c1C(=O)OC(C)C ZINC000002758538 552180773 /nfs/dbraw/zinc/18/07/73/552180773.db2.gz WDFVUUAPDMWQSB-UHFFFAOYSA-N -1 3 555.071 8.420 50 0 KKAAHM Cc1sc([N-]C(=O)c2sc3c(c2Cl)c(OC(F)F)ccc3Br)c(C(=O)OC(C)C)c1C ZINC000002783524 552189179 /nfs/dbraw/zinc/18/91/79/552189179.db2.gz FPIVRWKBKYZISW-UHFFFAOYSA-N -1 3 552.846 7.414 50 0 KKAAHM CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000002869295 552206388 /nfs/dbraw/zinc/20/63/88/552206388.db2.gz IOPZPPOFNXVHGI-UHFFFAOYSA-N -1 3 536.666 6.124 50 0 KKAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002876926 552207914 /nfs/dbraw/zinc/20/79/14/552207914.db2.gz YSPPEAUYEIEYNH-UHFFFAOYSA-N -1 3 502.873 5.316 50 0 KKAAHM O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2Cl)c1 ZINC000003023210 552264800 /nfs/dbraw/zinc/26/48/00/552264800.db2.gz OFGAFYGQNQIALR-UHFFFAOYSA-N -1 3 510.974 6.002 50 0 KKAAHM COc1ccccc1N([N-]C(=O)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C(=O)CCl ZINC000003144398 552296636 /nfs/dbraw/zinc/29/66/36/552296636.db2.gz GOCALARGJXTAKQ-UHFFFAOYSA-N -1 3 560.878 5.272 50 0 KKAAHM O=C(COc1cc(Cl)c(Cl)cc1Cl)[N-]C(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000003154824 552297659 /nfs/dbraw/zinc/29/76/59/552297659.db2.gz UIKQCRWNBOZNPW-UHFFFAOYSA-N -1 3 536.582 6.835 50 0 KKAAHM O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003221051 552310142 /nfs/dbraw/zinc/31/01/42/552310142.db2.gz CAKJVJPUHJZTSD-UHFFFAOYSA-N -1 3 507.292 6.204 50 0 KKAAHM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c3)cc2)cc1 ZINC000003305526 552348610 /nfs/dbraw/zinc/34/86/10/552348610.db2.gz SDRYRGLQBWZXNV-UHFFFAOYSA-N -1 3 530.046 5.320 50 0 KKAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(Cl)cc1Cl ZINC000003376435 552376583 /nfs/dbraw/zinc/37/65/83/552376583.db2.gz XLHAPSQRXFAZDQ-UHFFFAOYSA-N -1 3 561.793 5.395 50 0 KKAAHM O=c1[n-]c(-c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccc(F)cc2)nc2sc3c(c21)CCCC3 ZINC000003625011 552395383 /nfs/dbraw/zinc/39/53/83/552395383.db2.gz RHEBBHCVOBYWQK-UHFFFAOYSA-N -1 3 525.436 6.888 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656075 552404538 /nfs/dbraw/zinc/40/45/38/552404538.db2.gz NZORNFLFXOOOSZ-QHCPKHFHSA-N -1 3 536.378 5.332 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656169 552405076 /nfs/dbraw/zinc/40/50/76/552405076.db2.gz LKNSLAALDWVHSR-QFIPXVFZSA-N -1 3 540.341 5.163 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656230 552405283 /nfs/dbraw/zinc/40/52/83/552405283.db2.gz PZVHNZSUHFCAFR-OAQYLSRUSA-N -1 3 589.211 5.917 50 0 KKAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000003916309 552421817 /nfs/dbraw/zinc/42/18/17/552421817.db2.gz IGTHKWSNVXPPCV-UHFFFAOYSA-N -1 3 629.842 6.833 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)c(OC)c4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000004181779 552446634 /nfs/dbraw/zinc/44/66/34/552446634.db2.gz LXOCAXOWBKKXHN-UHFFFAOYSA-N -1 3 609.026 6.455 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)ccc2C)cc1 ZINC000005941943 552514009 /nfs/dbraw/zinc/51/40/09/552514009.db2.gz PIHGMZXRBWDYHE-UHFFFAOYSA-N -1 3 592.139 5.275 50 0 KKAAHM Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000008384470 552989256 /nfs/dbraw/zinc/98/92/56/552989256.db2.gz KTRCAKFFPVKAPT-UHFFFAOYSA-N -1 3 664.180 7.236 50 0 KKAAHM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000008384766 552989805 /nfs/dbraw/zinc/98/98/05/552989805.db2.gz OYYFLLOIPHCGAM-UHFFFAOYSA-N -1 3 715.080 8.404 50 0 KKAAHM Cc1ccc(Nc2nc(N=NCc3ccc(Br)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008427600 553020282 /nfs/dbraw/zinc/02/02/82/553020282.db2.gz CHJAIQPVRFZWEP-UHFFFAOYSA-N -1 3 533.390 6.092 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Br)C[C@@H](C)CC2 ZINC000008430205 553021060 /nfs/dbraw/zinc/02/10/60/553021060.db2.gz PGZHDEBVNMLSBX-NSHDSACASA-N -1 3 613.481 6.854 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008431299 553022642 /nfs/dbraw/zinc/02/26/42/553022642.db2.gz DVBWTVVQEMTQNT-OAHLLOKOSA-N -1 3 635.506 7.429 50 0 KKAAHM O=C1[N-][C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000008443440 553046563 /nfs/dbraw/zinc/04/65/63/553046563.db2.gz RVGHOSUYFNMUHH-NRFANRHFSA-N -1 3 603.361 7.226 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CCC2 ZINC000008456794 553074925 /nfs/dbraw/zinc/07/49/25/553074925.db2.gz VGCQYYUMRAEOCH-UHFFFAOYSA-N -1 3 609.424 6.165 50 0 KKAAHM COC(=O)c1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595511 553088947 /nfs/dbraw/zinc/08/89/47/553088947.db2.gz YJUSXTIHESTBMD-HSZRJFAPSA-N -1 3 522.786 6.029 50 0 KKAAHM COC(=O)c1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595511 553088949 /nfs/dbraw/zinc/08/89/49/553088949.db2.gz YJUSXTIHESTBMD-HSZRJFAPSA-N -1 3 522.786 6.029 50 0 KKAAHM C[C@@H](NC[C@@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000008626889 553104517 /nfs/dbraw/zinc/10/45/17/553104517.db2.gz SUUCTKJUWXMWND-CSKAWGDSSA-N -1 3 625.674 5.002 50 0 KKAAHM COCCOc1ccccc1[N-]C(=S)SCCSC(=S)Nc1ccccc1OCCOC ZINC000008648011 553106539 /nfs/dbraw/zinc/10/65/39/553106539.db2.gz NLHPNRXXNCDRTC-UHFFFAOYSA-N -1 3 512.744 5.297 50 0 KKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)[C@]([O-])(C(F)(F)F)C2)c(OC)c1 ZINC000008753934 553135682 /nfs/dbraw/zinc/13/56/82/553135682.db2.gz MCHYKHFQQQKADY-HXUWFJFHSA-N -1 3 517.451 5.711 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771895 553141267 /nfs/dbraw/zinc/14/12/67/553141267.db2.gz CVLHDHRPCBRYFP-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771895 553141268 /nfs/dbraw/zinc/14/12/68/553141268.db2.gz CVLHDHRPCBRYFP-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccccc2F)cc1OC ZINC000008845388 553165576 /nfs/dbraw/zinc/16/55/76/553165576.db2.gz RBCOATGZKHWSBN-MHZLTWQESA-N -1 3 521.976 5.688 50 0 KKAAHM COc1ccc(CCN2C(=O)N(C3CCCCC3)[C@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)cc1OC ZINC000008926377 553191219 /nfs/dbraw/zinc/19/12/19/553191219.db2.gz CPKPIFMGUOKXQS-RUZDIDTESA-N -1 3 516.683 5.155 50 0 KKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])c1-c1ccc(Br)cc1 ZINC000009242751 553226594 /nfs/dbraw/zinc/22/65/94/553226594.db2.gz DBNMQLVPZYXHBI-UHFFFAOYSA-N -1 3 504.211 7.406 50 0 KKAAHM COc1ccc([C@H]2c3c4nc(-c5ccccc5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000009281256 553233245 /nfs/dbraw/zinc/23/32/45/553233245.db2.gz KIPBWLBJJVAFRB-RUZDIDTESA-N -1 3 502.530 5.953 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000009282023 553233581 /nfs/dbraw/zinc/23/35/81/553233581.db2.gz NVILDXNSTJZWOP-PFBJBMPXSA-N -1 3 508.505 5.096 50 0 KKAAHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)C1 ZINC000009404068 553255449 /nfs/dbraw/zinc/25/54/49/553255449.db2.gz MPGSFUIZADXDKE-QZTJIDSGSA-N -1 3 521.664 5.588 50 0 KKAAHM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000009445246 553265029 /nfs/dbraw/zinc/26/50/29/553265029.db2.gz XCBNQNBLPMOONG-QGZVFWFLSA-N -1 3 507.637 5.484 50 0 KKAAHM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000009445250 553265041 /nfs/dbraw/zinc/26/50/41/553265041.db2.gz IQZZJXOIRGMFAD-UHFFFAOYSA-N -1 3 521.664 5.874 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679057 553295772 /nfs/dbraw/zinc/29/57/72/553295772.db2.gz RXNORBQOOQKQOL-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679057 553295774 /nfs/dbraw/zinc/29/57/74/553295774.db2.gz RXNORBQOOQKQOL-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM COC(=O)c1ccc([C@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679186 553295961 /nfs/dbraw/zinc/29/59/61/553295961.db2.gz VQWXKMXFCKBNMN-DEOSSOPVSA-N -1 3 502.368 5.684 50 0 KKAAHM COC(=O)c1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000009679186 553295962 /nfs/dbraw/zinc/29/59/62/553295962.db2.gz VQWXKMXFCKBNMN-DEOSSOPVSA-N -1 3 502.368 5.684 50 0 KKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679188 553296009 /nfs/dbraw/zinc/29/60/09/553296009.db2.gz ZDOQVLWWDOLIAO-VWLOTQADSA-N -1 3 504.384 5.915 50 0 KKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679188 553296010 /nfs/dbraw/zinc/29/60/10/553296010.db2.gz ZDOQVLWWDOLIAO-VWLOTQADSA-N -1 3 504.384 5.915 50 0 KKAAHM CCOc1cc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000009679190 553296063 /nfs/dbraw/zinc/29/60/63/553296063.db2.gz MWFIXOPQCOCNBK-VWLOTQADSA-N -1 3 504.384 6.002 50 0 KKAAHM CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000009679190 553296064 /nfs/dbraw/zinc/29/60/64/553296064.db2.gz MWFIXOPQCOCNBK-VWLOTQADSA-N -1 3 504.384 6.002 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679405 553296305 /nfs/dbraw/zinc/29/63/05/553296305.db2.gz XVMHAYGXBFESSC-SANMLTNESA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679405 553296307 /nfs/dbraw/zinc/29/63/07/553296307.db2.gz XVMHAYGXBFESSC-SANMLTNESA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679432 553296352 /nfs/dbraw/zinc/29/63/52/553296352.db2.gz JJIDUAUQXOGPJF-HHHXNRCGSA-N -1 3 525.561 5.189 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000009679432 553296354 /nfs/dbraw/zinc/29/63/54/553296354.db2.gz JJIDUAUQXOGPJF-HHHXNRCGSA-N -1 3 525.561 5.189 50 0 KKAAHM COc1ccc(-c2oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000010013876 553326262 /nfs/dbraw/zinc/32/62/62/553326262.db2.gz YCUFXIUJLGXAEI-UHFFFAOYSA-N -1 3 514.541 6.748 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)F)cc1 ZINC000011859561 553346425 /nfs/dbraw/zinc/34/64/25/553346425.db2.gz NDOMFXDRSADJGA-NJDAHSKKSA-N -1 3 504.411 5.358 50 0 KKAAHM O=S(=O)([N-]c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012376962 553361693 /nfs/dbraw/zinc/36/16/93/553361693.db2.gz VQOAEQJJNFZNEQ-UHFFFAOYSA-N -1 3 501.486 5.130 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)CSc3cc(Cl)ccc3Cl)c2)cc1 ZINC000012584264 553399464 /nfs/dbraw/zinc/39/94/64/553399464.db2.gz VPHOGTXGKDVYCQ-UHFFFAOYSA-N -1 3 511.452 5.842 50 0 KKAAHM Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000013401819 553459112 /nfs/dbraw/zinc/45/91/12/553459112.db2.gz JEYHQFWHLGQZFV-UHFFFAOYSA-N -1 3 511.057 5.990 50 0 KKAAHM Cc1ccc(OCC(=O)Nc2ccc(Cc3ccc(NC(=O)COc4ccc(C)cc4)c(O)c3)cc2[O-])cc1 ZINC000013856280 553493483 /nfs/dbraw/zinc/49/34/83/553493483.db2.gz KPKFSXRCBONVJE-UHFFFAOYSA-N -1 3 526.589 5.340 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc(I)c1[O-] ZINC000015945223 553544075 /nfs/dbraw/zinc/54/40/75/553544075.db2.gz VRKKXMNXZIBARC-BLVKFPJESA-N -1 3 526.440 5.462 50 0 KKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000016448353 553564966 /nfs/dbraw/zinc/56/49/66/553564966.db2.gz QUQLKAWAEFGJKR-UHFFFAOYSA-N -1 3 519.486 5.739 50 0 KKAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017337628 553593635 /nfs/dbraw/zinc/59/36/35/553593635.db2.gz JXVXAPGFAMTKIN-UHFFFAOYSA-N -1 3 530.601 5.029 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000017889582 553600272 /nfs/dbraw/zinc/60/02/72/553600272.db2.gz JMXJJWRHEJZENI-NXCFDTQHSA-N -1 3 506.986 5.579 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000018061152 553602524 /nfs/dbraw/zinc/60/25/24/553602524.db2.gz PPTVVZNPTXFGPQ-KDURUIRLSA-N -1 3 502.640 6.201 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018128302 553605688 /nfs/dbraw/zinc/60/56/88/553605688.db2.gz JWKRFLWMYGXAHP-NHKHRBQYSA-N -1 3 530.621 5.714 50 0 KKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000018145728 553606312 /nfs/dbraw/zinc/60/63/12/553606312.db2.gz YSNVCRQLJRUZRP-ZRBLBEILSA-N -1 3 511.803 5.770 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 ZINC000079190247 553667605 /nfs/dbraw/zinc/66/76/05/553667605.db2.gz STERZSQPCMBDAR-UPBGFJSYSA-N -1 3 555.627 5.576 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc2c(c1)OCCO2)CC(=O)O3 ZINC000079191502 553668399 /nfs/dbraw/zinc/66/83/99/553668399.db2.gz HWYVELPEQJCQHO-KGPDCCDTSA-N -1 3 506.551 5.086 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2c(c(Cl)c1)OCO2)CC(=O)O3 ZINC000079192801 553668603 /nfs/dbraw/zinc/66/86/03/553668603.db2.gz LWSHBAYMXIBTQB-ASEPJHSNSA-N -1 3 526.969 5.697 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2c(c(Cl)c1)OCO2)CC(=O)O3 ZINC000079192795 553668667 /nfs/dbraw/zinc/66/86/67/553668667.db2.gz LWSHBAYMXIBTQB-UPQWKRSISA-N -1 3 526.969 5.697 50 0 KKAAHM CC(C)Oc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079194063 553669015 /nfs/dbraw/zinc/66/90/15/553669015.db2.gz POYQIEJGZKPZMX-RLZVUDRYSA-N -1 3 506.595 6.102 50 0 KKAAHM CC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)cc1 ZINC000085877493 553689261 /nfs/dbraw/zinc/68/92/61/553689261.db2.gz HVKYPHHHEFMRSF-KYHBOGKRSA-N -1 3 556.611 6.778 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020855087 553700166 /nfs/dbraw/zinc/70/01/66/553700166.db2.gz ZJWLNMUMHBGGSE-MUUNZHRXSA-N -1 3 509.606 6.309 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020855087 553700168 /nfs/dbraw/zinc/70/01/68/553700168.db2.gz ZJWLNMUMHBGGSE-MUUNZHRXSA-N -1 3 509.606 6.309 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2)c(C)c1 ZINC000095567245 553704663 /nfs/dbraw/zinc/70/46/63/553704663.db2.gz IQCPGTXPKLJWLH-UHFFFAOYSA-N -1 3 555.722 5.230 50 0 KKAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000021526165 553710419 /nfs/dbraw/zinc/71/04/19/553710419.db2.gz SYSAZUXQEWRGGC-UHFFFAOYSA-N -1 3 508.953 5.144 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N=P(N3CCCCCC3)(N3CCCCCC3)C(C)(C)C)cc2)cc1 ZINC000096022647 553721784 /nfs/dbraw/zinc/72/17/84/553721784.db2.gz KILPSHVFHVCMFL-UHFFFAOYSA-N -1 3 633.865 8.165 50 0 KKAAHM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022852770 553761621 /nfs/dbraw/zinc/76/16/21/553761621.db2.gz OWVPPXBOKMVXOS-MUUNZHRXSA-N -1 3 555.704 5.319 50 0 KKAAHM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852792 553761878 /nfs/dbraw/zinc/76/18/78/553761878.db2.gz UDVYFVWVGXUESR-AREMUKBSSA-N -1 3 530.097 5.955 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)C([O-])=C(c3nc4ccccc4s3)[C@H]2c2cccc(OC)c2)nc1C ZINC000024193146 553790350 /nfs/dbraw/zinc/79/03/50/553790350.db2.gz USEVIQPXUJBFNL-LJQANCHMSA-N -1 3 507.593 5.304 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954267 553822616 /nfs/dbraw/zinc/82/26/16/553822616.db2.gz AEFDWUVQUGACEF-NHKHRBQYSA-N -1 3 534.568 5.274 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097954743 553824949 /nfs/dbraw/zinc/82/49/49/553824949.db2.gz VRNAWRRLTGUUOX-UBFVSLLYSA-N -1 3 523.347 6.444 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097954708 553824972 /nfs/dbraw/zinc/82/49/72/553824972.db2.gz JNBDVLHASKLWEB-QHAWAJNXSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000097954805 553825666 /nfs/dbraw/zinc/82/56/66/553825666.db2.gz KMBZLXQMZZLFQE-UBFVSLLYSA-N -1 3 533.353 5.899 50 0 KKAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1 ZINC000097957494 553846311 /nfs/dbraw/zinc/84/63/11/553846311.db2.gz IWPJGZCIEIUFFL-XMMPIXPASA-N -1 3 554.701 5.978 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccc(C)cc5C)cc4)cc3)cc2)c(C)c1 ZINC000029503422 553846658 /nfs/dbraw/zinc/84/66/58/553846658.db2.gz YXFHRUOAMCDMIZ-UHFFFAOYSA-N -1 3 682.824 7.026 50 0 KKAAHM Cc1ccc(Cn2c(=O)c3ccccc3nc2SCC(=O)[N-]c2oncc2-c2ccc(F)cc2)cc1 ZINC000032951159 553880309 /nfs/dbraw/zinc/88/03/09/553880309.db2.gz MWAQZGILUXBYDT-UHFFFAOYSA-N -1 3 500.555 5.278 50 0 KKAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)c(C)c5)cc4)cn3)n2)cc1 ZINC000032974757 553883782 /nfs/dbraw/zinc/88/37/82/553883782.db2.gz JMVLSSCHIIVPRS-UHFFFAOYSA-N -1 3 515.595 5.075 50 0 KKAAHM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000097963918 553895356 /nfs/dbraw/zinc/89/53/56/553895356.db2.gz UWKPAXNPTPWIMX-MUUNZHRXSA-N -1 3 585.730 5.327 50 0 KKAAHM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000097963919 553895389 /nfs/dbraw/zinc/89/53/89/553895389.db2.gz UWKPAXNPTPWIMX-NDEPHWFRSA-N -1 3 585.730 5.327 50 0 KKAAHM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5c(C)cc(C)cc5C)cc4)cn3)n2)c1 ZINC000033254925 553914156 /nfs/dbraw/zinc/91/41/56/553914156.db2.gz CPWFWPNUNONPJU-UHFFFAOYSA-N -1 3 513.623 5.683 50 0 KKAAHM Cc1ccc(Nc2cc(Nc3ccc([N-]S(=O)(=O)c4cccc(Br)c4)cc3)nc(C)n2)cc1 ZINC000033355682 553936124 /nfs/dbraw/zinc/93/61/24/553936124.db2.gz JZKXVFGJDFELJO-UHFFFAOYSA-N -1 3 524.444 6.144 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000033357299 553947874 /nfs/dbraw/zinc/94/78/74/553947874.db2.gz KQQRHJARAAZKCT-DEOSSOPVSA-N -1 3 621.467 5.620 50 0 KKAAHM Cc1ccccc1CSC1=N[C@@H](c2cccc(Br)c2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc(Br)c2)N1 ZINC000033357608 553949241 /nfs/dbraw/zinc/94/92/41/553949241.db2.gz ZGAYXYKGKIICMC-VXKWHMMOSA-N -1 3 642.373 6.388 50 0 KKAAHM Cc1ccccc1CSC1=N[C@@H](c2cccc(Br)c2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc(Br)c2)N1 ZINC000033357608 553949238 /nfs/dbraw/zinc/94/92/38/553949238.db2.gz ZGAYXYKGKIICMC-VXKWHMMOSA-N -1 3 642.373 6.388 50 0 KKAAHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)N1N=C2C(=Cc3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000097978974 553975587 /nfs/dbraw/zinc/97/55/87/553975587.db2.gz ORQMVLRIYHHALU-XJUWNVBVSA-N -1 3 578.810 6.902 50 0 KKAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000097980634 553990331 /nfs/dbraw/zinc/99/03/31/553990331.db2.gz VZLLQWBNTXNCIH-RMKNXTFCSA-N -1 3 555.125 5.706 50 0 KKAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000034795863 554008847 /nfs/dbraw/zinc/00/88/47/554008847.db2.gz LKLZRYIWPSGWBV-ZGZOUGAKSA-N -1 3 518.400 5.008 50 0 biogenic KKAAHM C[C@@H](c1ccccc1)N(Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000034921847 554031913 /nfs/dbraw/zinc/03/19/13/554031913.db2.gz JWBAGJVSGFOEAZ-FQEVSTJZSA-N -1 3 511.663 5.828 50 0 KKAAHM CCOC(=O)c1c([N-][C@@](NC(=O)c2cccc(C)c2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003629 554055444 /nfs/dbraw/zinc/05/54/44/554055444.db2.gz QRJJNGNPHSZTCX-SANMLTNESA-N -1 3 548.583 5.736 50 0 KKAAHM Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000098008094 554065960 /nfs/dbraw/zinc/06/59/60/554065960.db2.gz IIQXHMJUUBGLCI-UHFFFAOYSA-N -1 3 534.387 5.215 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3cccc(C)c3)[C@@H](C)C(C)C)c2)cc1 ZINC000035946417 554103139 /nfs/dbraw/zinc/10/31/39/554103139.db2.gz LSROLLMBVOAKLZ-QFIPXVFZSA-N -1 3 523.699 5.557 50 0 KKAAHM CCC(CC)C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000035946415 554103184 /nfs/dbraw/zinc/10/31/84/554103184.db2.gz NFQLBQFPIHIYLX-FQEVSTJZSA-N -1 3 503.709 5.371 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1cc(C)ccc1C(C)(C)C ZINC000045796254 554311517 /nfs/dbraw/zinc/31/15/17/554311517.db2.gz PCVYTOMEEDGIJY-LBNVMWSVSA-N -1 3 514.691 6.763 50 0 KKAAHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(I)c1[O-] ZINC000100343759 554329277 /nfs/dbraw/zinc/32/92/77/554329277.db2.gz MYDNCXDCYBSMRO-GIDUJCDVSA-N -1 3 519.719 5.034 50 0 KKAAHM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2cccc(Cl)c2)cc1 ZINC000100406909 554373904 /nfs/dbraw/zinc/37/39/04/554373904.db2.gz YLVAYACUHFPHLL-UHFFFAOYSA-N -1 3 604.081 5.123 50 0 KKAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000059630616 554416141 /nfs/dbraw/zinc/41/61/41/554416141.db2.gz HLVUZQHRMMTKQP-UHFFFAOYSA-N -1 3 555.582 5.226 50 0 KKAAHM Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000100821357 554480721 /nfs/dbraw/zinc/48/07/21/554480721.db2.gz XGFKWEZLHTYHOC-HSZRJFAPSA-N -1 3 540.674 5.257 50 0 KKAAHM CC[C@H](C(=O)N1CCCN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)N(CC)CC)CC1)c1ccccc1 ZINC000100889125 554510247 /nfs/dbraw/zinc/51/02/47/554510247.db2.gz COJDIMDMDQPZHP-NDEPHWFRSA-N -1 3 576.763 5.202 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084561 554580277 /nfs/dbraw/zinc/58/02/77/554580277.db2.gz INWYHPSPQCSFKE-DSNGMDLFSA-N -1 3 584.253 7.067 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152999 554657812 /nfs/dbraw/zinc/65/78/12/554657812.db2.gz AZTWLJFHYAFNLG-PFBJBMPXSA-N -1 3 524.960 5.610 50 0 KKAAHM Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2C)cc1 ZINC000101192071 554670810 /nfs/dbraw/zinc/67/08/10/554670810.db2.gz IPMUFLSAHILRMB-UHFFFAOYSA-N -1 3 523.474 5.000 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101201791 554672726 /nfs/dbraw/zinc/67/27/26/554672726.db2.gz LKDPKYSTNRLRGA-NLDZOOGBSA-N -1 3 508.574 5.688 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101208720 554677855 /nfs/dbraw/zinc/67/78/55/554677855.db2.gz QEIGNHXEFMNDAG-XHHBKWMTSA-N -1 3 543.069 6.319 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101359443 554741555 /nfs/dbraw/zinc/74/15/55/554741555.db2.gz HWNDGFQPGNFMEN-CKXMCULTSA-N -1 3 531.637 5.698 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101360986 554742472 /nfs/dbraw/zinc/74/24/72/554742472.db2.gz UZAVEVBWGKVKHW-HEFUCBFLSA-N -1 3 544.582 5.690 50 0 KKAAHM Cc1cccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000102131824 554885717 /nfs/dbraw/zinc/88/57/17/554885717.db2.gz KQZKOVKILGOQSU-UHFFFAOYSA-N -1 3 532.538 6.104 50 0 KKAAHM Cc1c(Cl)cccc1-n1ncc(C(=O)[N-]c2c(F)c(F)cc(F)c2F)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102133104 554887324 /nfs/dbraw/zinc/88/73/24/554887324.db2.gz KKICQKKMERRNTJ-UHFFFAOYSA-N -1 3 566.983 6.757 50 0 KKAAHM Nc1c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)sc(Nc2ccc(Cl)cc2)c1C(=O)NC1CCCCC1 ZINC000102192780 554895105 /nfs/dbraw/zinc/89/51/05/554895105.db2.gz IXYOSNANEBXUNQ-OAQYLSRUSA-N -1 3 558.960 5.882 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1Cl ZINC000102278270 554906400 /nfs/dbraw/zinc/90/64/00/554906400.db2.gz QTZWDEZTGGQJRO-UHFFFAOYSA-N -1 3 539.976 5.250 50 0 KKAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cc(C)ccc5C)cc4)cn3)n2)cc1OC ZINC000102278410 554906504 /nfs/dbraw/zinc/90/65/04/554906504.db2.gz KMYJATCDYQOFCX-UHFFFAOYSA-N -1 3 545.621 5.083 50 0 KKAAHM COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1OC ZINC000102545743 554959092 /nfs/dbraw/zinc/95/90/92/554959092.db2.gz VIHZPJINYDALFS-MUUNZHRXSA-N -1 3 552.590 7.106 50 0 KKAAHM CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102710552 555016461 /nfs/dbraw/zinc/01/64/61/555016461.db2.gz NWLXEDGWYHCHDE-HZFUHODCSA-N -1 3 516.594 5.411 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1CN1CCC(C)CC1 ZINC000102737294 555026710 /nfs/dbraw/zinc/02/67/10/555026710.db2.gz TWXKUKLOLJECQZ-IDZRBWSNSA-N -1 3 525.649 5.287 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000102741646 555030541 /nfs/dbraw/zinc/03/05/41/555030541.db2.gz SBRNQJTWTNZDQK-STROYTFGSA-N -1 3 512.650 6.347 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000102744098 555035326 /nfs/dbraw/zinc/03/53/26/555035326.db2.gz UDLZVMLPKSEDRB-ZRRKCSAHSA-N -1 3 512.650 6.347 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000102744321 555035424 /nfs/dbraw/zinc/03/54/24/555035424.db2.gz OOSVWNFTSWRROP-KKUQBAQOSA-N -1 3 519.384 6.613 50 0 KKAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1 ZINC000102745000 555036477 /nfs/dbraw/zinc/03/64/77/555036477.db2.gz WOROXRRIVKNXOH-VJBWXMMDSA-N -1 3 605.272 5.033 50 0 KKAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 ZINC000102745054 555036720 /nfs/dbraw/zinc/03/67/20/555036720.db2.gz AENSTMZWOKUDJL-VJBWXMMDSA-N -1 3 605.272 5.033 50 0 KKAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000102745202 555037005 /nfs/dbraw/zinc/03/70/05/555037005.db2.gz FZAKQMOUQLKEDH-VABKMULXSA-N -1 3 573.274 5.578 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102751212 555044493 /nfs/dbraw/zinc/04/44/93/555044493.db2.gz FYUFHMAAIMMXGC-JFHPUIQFSA-N -1 3 540.575 6.110 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102755891 555048225 /nfs/dbraw/zinc/04/82/25/555048225.db2.gz VRNAWRRLTGUUOX-ISJGIBHGSA-N -1 3 523.347 6.444 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102763536 555054163 /nfs/dbraw/zinc/05/41/63/555054163.db2.gz DZRIKHROLQXSLL-PCCBWWKXSA-N -1 3 507.295 6.063 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860629 555090928 /nfs/dbraw/zinc/09/09/28/555090928.db2.gz BEHKNDPLVAUERG-TZRRMPRUSA-N -1 3 571.482 6.162 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860588 555090951 /nfs/dbraw/zinc/09/09/51/555090951.db2.gz IWFOOAMFMMDWIE-TZRRMPRUSA-N -1 3 605.927 6.815 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102885232 555115142 /nfs/dbraw/zinc/11/51/42/555115142.db2.gz BXXVVYZUTAEBKP-NXCFDTQHSA-N -1 3 551.437 5.688 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102885286 555115388 /nfs/dbraw/zinc/11/53/88/555115388.db2.gz GYJZEXAULJKPHL-IARZGTGTSA-N -1 3 554.986 5.619 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102929883 555156163 /nfs/dbraw/zinc/15/61/63/555156163.db2.gz VSRIDIVLSKGWGY-KWXIBIRDSA-N -1 3 595.460 5.812 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)c2)cc1 ZINC000102974599 555184371 /nfs/dbraw/zinc/18/43/71/555184371.db2.gz KNDBLKASNKIOCS-DHIUTWEWSA-N -1 3 626.801 5.015 50 0 KKAAHM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cc(C(F)(F)F)ccc4Cl)c3)cc2)cc1 ZINC000102983800 555189674 /nfs/dbraw/zinc/18/96/74/555189674.db2.gz HGXZGITXFCBUGU-UHFFFAOYSA-N -1 3 604.006 6.673 50 0 KKAAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccccc1OCc1ccccc1 ZINC000102987435 555191107 /nfs/dbraw/zinc/19/11/07/555191107.db2.gz DPDPEDZPHJQZEP-UHFFFAOYSA-N -1 3 562.091 6.572 50 0 KKAAHM C[C@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n(-c3ccccc3)c2=S)C[C@H](C)O1 ZINC000102992134 555192917 /nfs/dbraw/zinc/19/29/17/555192917.db2.gz QGEZEXODYOFDFM-PMACEKPBSA-N -1 3 570.140 5.591 50 0 KKAAHM C[C@@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n(-c3ccccc3)c2=S)C[C@@H](C)O1 ZINC000102992138 555193012 /nfs/dbraw/zinc/19/30/12/555193012.db2.gz QGEZEXODYOFDFM-WOJBJXKFSA-N -1 3 570.140 5.591 50 0 KKAAHM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1=O ZINC000103013193 555207694 /nfs/dbraw/zinc/20/76/94/555207694.db2.gz XXJSWLQYYDKYLS-TZIWHRDSSA-N -1 3 535.666 5.310 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(F)c(F)cc1Cl ZINC000103049960 555232269 /nfs/dbraw/zinc/23/22/69/555232269.db2.gz RDYKEVIKEMMQEJ-UHFFFAOYSA-N -1 3 540.419 6.315 50 0 KKAAHM O=C(NCc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCCN(C(=O)NC2CCCCC2)CC1 ZINC000103357441 555364409 /nfs/dbraw/zinc/36/44/09/555364409.db2.gz VHVGNADBKVJKSF-UHFFFAOYSA-N -1 3 607.752 5.111 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCN(C(=O)c4ccccc4F)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000103365298 555365779 /nfs/dbraw/zinc/36/57/79/555365779.db2.gz LGVLOPFIVWDLOL-UHFFFAOYSA-N -1 3 618.706 5.357 50 0 KKAAHM Cc1ccc(C(=O)N2CCCN(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000103367738 555366209 /nfs/dbraw/zinc/36/62/09/555366209.db2.gz MVTGNZIWEUVWNV-UHFFFAOYSA-N -1 3 614.743 5.526 50 0 KKAAHM O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791396 571408597 /nfs/dbraw/zinc/40/85/97/571408597.db2.gz HYVPREUZPFQWON-PCCBWWKXSA-N -1 3 582.863 5.366 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000105796425 571408716 /nfs/dbraw/zinc/40/87/16/571408716.db2.gz SNCHPGRCAVKONL-MPFGFTFXSA-N -1 3 619.899 6.741 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(F)cc3)o2)c(C(=O)OC)c1C ZINC000106014630 571410316 /nfs/dbraw/zinc/41/03/16/571410316.db2.gz JODYNDBBHOQHEG-ISJGIBHGSA-N -1 3 604.612 5.470 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1OC ZINC000106014982 571410406 /nfs/dbraw/zinc/41/04/06/571410406.db2.gz VSSSKKMRBGOJKO-TWJOJJKGSA-N -1 3 575.876 6.885 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000106018048 571410498 /nfs/dbraw/zinc/41/04/98/571410498.db2.gz OYNRONYGRHGLMX-FRXPANAUSA-N -1 3 584.650 5.294 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000106018834 571410748 /nfs/dbraw/zinc/41/07/48/571410748.db2.gz UKRDWDBPEWEPTA-OYUWMTPXSA-N -1 3 561.015 5.159 50 0 KKAAHM Cc1cc(C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805901 571418456 /nfs/dbraw/zinc/41/84/56/571418456.db2.gz PCLIYQSQRUVLBO-JIMJEQGWSA-N -1 3 577.424 5.306 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(OC(F)F)cc1 ZINC000138672486 571451755 /nfs/dbraw/zinc/45/17/55/571451755.db2.gz NDOMFXDRSADJGA-PCCBWWKXSA-N -1 3 504.411 5.358 50 0 KKAAHM CCOc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(I)c1[O-] ZINC000150353970 571462872 /nfs/dbraw/zinc/46/28/72/571462872.db2.gz HFJGJNQOTVKEHF-UHFFFAOYSA-N -1 3 650.517 5.171 50 0 KKAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1OC ZINC000150388976 571471324 /nfs/dbraw/zinc/47/13/24/571471324.db2.gz DSPFMEDEGSWMLD-FSSWDIPSSA-N -1 3 635.298 5.042 50 0 KKAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1OC ZINC000150388979 571471342 /nfs/dbraw/zinc/47/13/42/571471342.db2.gz DSPFMEDEGSWMLD-FKBYEOEOSA-N -1 3 635.298 5.042 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCOCC4)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150391393 571473728 /nfs/dbraw/zinc/47/37/28/571473728.db2.gz HZEBUZFKUZURRC-PGUFJCEWSA-N -1 3 738.959 6.988 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000150420573 571487366 /nfs/dbraw/zinc/48/73/66/571487366.db2.gz WLWOJPCVQAWTGM-UHFFFAOYSA-N -1 3 730.479 6.991 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@H]1C(=C([O-])c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150425960 571490227 /nfs/dbraw/zinc/49/02/27/571490227.db2.gz HFKVUXRQAYZYBS-UKVDXBKXSA-N -1 3 681.586 7.755 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3cc(C)ccc3OC)C(=O)N(c3ccccc3)C2=O)c1 ZINC000150431836 571493813 /nfs/dbraw/zinc/49/38/13/571493813.db2.gz HJFFCRUCJCMKOV-UHFFFAOYSA-N -1 3 643.743 5.721 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000150436999 571496558 /nfs/dbraw/zinc/49/65/58/571496558.db2.gz DYHPUZLBYYJFMS-IARZGTGTSA-N -1 3 646.437 5.570 50 0 KKAAHM Cc1ccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)cc1 ZINC000150456694 571504803 /nfs/dbraw/zinc/50/48/03/571504803.db2.gz PMPGKQACPAFAEA-UHFFFAOYSA-N -1 3 652.864 8.789 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000150457921 571505269 /nfs/dbraw/zinc/50/52/69/571505269.db2.gz HSYZZLHYZJWXDZ-UHFFFAOYSA-N -1 3 631.732 5.610 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc(Br)c1O ZINC000150460128 571505923 /nfs/dbraw/zinc/50/59/23/571505923.db2.gz PQKAJLOJBQUIGA-OSELOPSKSA-N -1 3 683.621 6.604 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150460716 571506225 /nfs/dbraw/zinc/50/62/25/571506225.db2.gz WAFWNJKJZKCBQE-NLDZOOGBSA-N -1 3 654.344 7.395 50 0 KKAAHM Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@@H](C)CCCC(C)C ZINC000150490533 571517046 /nfs/dbraw/zinc/51/70/46/571517046.db2.gz PZWBFCHTBHUFSP-NRFANRHFSA-N -1 3 660.693 8.479 50 0 KKAAHM COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)[N-]c4cc(C(F)(F)F)ccc4Cl)c3)C2=O)cc1 ZINC000150639747 571524613 /nfs/dbraw/zinc/52/46/13/571524613.db2.gz BOXYVIDYBMBBAX-YDZHTSKRSA-N -1 3 640.061 5.635 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000150664107 571528438 /nfs/dbraw/zinc/52/84/38/571528438.db2.gz WRTRQZSWPGRWIC-BHIFYINESA-N -1 3 654.142 5.787 50 0 KKAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000169677995 571555560 /nfs/dbraw/zinc/55/55/60/571555560.db2.gz ILVCQAXIJWUZNV-FDFHNCONSA-N -1 3 575.246 5.024 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000226922262 572145205 /nfs/dbraw/zinc/14/52/05/572145205.db2.gz GNKJRLMXOWXUNH-CILKRHGOSA-N -1 3 549.001 6.335 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000227066040 572149097 /nfs/dbraw/zinc/14/90/97/572149097.db2.gz SMGNYNJBBTYXOB-RWSKJCERSA-N -1 3 558.675 6.494 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227232272 572151154 /nfs/dbraw/zinc/15/11/54/572151154.db2.gz NUCJNZUNKZCLDI-FRXPANAUSA-N -1 3 555.030 6.369 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000227240989 572152349 /nfs/dbraw/zinc/15/23/49/572152349.db2.gz ZFGXHEBNHOAKJH-OLBUMSFYSA-N -1 3 558.609 6.081 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229895079 572166741 /nfs/dbraw/zinc/16/67/41/572166741.db2.gz VFFRXJDXMHLXLI-CTMYTVLESA-N -1 3 541.607 5.336 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000229945295 572172342 /nfs/dbraw/zinc/17/23/42/572172342.db2.gz HEWPIHIHNPBOJG-OAJQQGRKSA-N -1 3 585.512 7.301 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000229948129 572172971 /nfs/dbraw/zinc/17/29/71/572172971.db2.gz INWYHPSPQCSFKE-ISJGIBHGSA-N -1 3 584.253 7.067 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229950957 572173380 /nfs/dbraw/zinc/17/33/80/572173380.db2.gz YEVTYJNCKNYRIU-UHLQNUQBSA-N -1 3 597.092 6.275 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229967973 572174549 /nfs/dbraw/zinc/17/45/49/572174549.db2.gz ODXIADHJUOJQLU-BHDDXSALSA-N -1 3 545.444 5.900 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000229967539 572174572 /nfs/dbraw/zinc/17/45/72/572174572.db2.gz XGGRGRIBRQXWRZ-ISJGIBHGSA-N -1 3 516.619 5.163 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229972119 572175913 /nfs/dbraw/zinc/17/59/13/572175913.db2.gz XURFVSLLBIIBID-KCIBBDPESA-N -1 3 546.648 6.003 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000230003902 572177559 /nfs/dbraw/zinc/17/75/59/572177559.db2.gz UUVNEGGURRLIHJ-ISJGIBHGSA-N -1 3 539.802 6.958 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000230025851 572179514 /nfs/dbraw/zinc/17/95/14/572179514.db2.gz KHQGCGYRQIVSDU-JIMJEQGWSA-N -1 3 519.384 6.613 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000230028968 572179998 /nfs/dbraw/zinc/17/99/98/572179998.db2.gz KMBZLXQMZZLFQE-ISJGIBHGSA-N -1 3 533.353 5.899 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189242 572184792 /nfs/dbraw/zinc/18/47/92/572184792.db2.gz MQOXZOSTXPFLGX-OKUYAMHMSA-N -1 3 522.651 6.056 50 0 KKAAHM CC1=C[C@H]2c3c([O-])cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000238778331 572188169 /nfs/dbraw/zinc/18/81/69/572188169.db2.gz GOBAQYCCUYZMJY-MXYUXXKOSA-N -1 3 628.677 8.578 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000245241736 572215968 /nfs/dbraw/zinc/21/59/68/572215968.db2.gz NYWSEYZHPZROSX-DNVJHFABSA-N -1 3 591.900 6.425 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000245246374 572219359 /nfs/dbraw/zinc/21/93/59/572219359.db2.gz JUWJHVJHPZTPOU-OZNIXHKMSA-N -1 3 563.437 7.093 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(F)(F)F)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000245246405 572219390 /nfs/dbraw/zinc/21/93/90/572219390.db2.gz KROIFPPGQFBDDD-MZNDLHKKSA-N -1 3 628.669 6.635 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246776 572219829 /nfs/dbraw/zinc/21/98/29/572219829.db2.gz NGPGDNUELGEEOY-WKLUVDBGSA-N -1 3 550.655 5.601 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245246774 572219992 /nfs/dbraw/zinc/21/99/92/572219992.db2.gz NGGKXOFXRQGIRE-YGGCMVMVSA-N -1 3 546.648 6.003 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245246812 572219996 /nfs/dbraw/zinc/21/99/96/572219996.db2.gz OTRWQNZKWQMCSF-CKXMCULTSA-N -1 3 551.067 6.648 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245247934 572221267 /nfs/dbraw/zinc/22/12/67/572221267.db2.gz ZFGXHEBNHOAKJH-FKGBSIOTSA-N -1 3 558.609 6.081 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000245247867 572221366 /nfs/dbraw/zinc/22/13/66/572221366.db2.gz YLYWLVZFSPBBLJ-IRCIOKMMSA-N -1 3 632.779 6.534 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245310095 572228076 /nfs/dbraw/zinc/22/80/76/572228076.db2.gz HOFYLJBFMFOMSY-OZNIXHKMSA-N -1 3 504.542 5.265 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000245311653 572229272 /nfs/dbraw/zinc/22/92/72/572229272.db2.gz POVRGIYDCPLPPR-UODIDJSMSA-N -1 3 519.384 6.613 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000245311365 572229402 /nfs/dbraw/zinc/22/94/02/572229402.db2.gz OCRCVPBFALTMSO-MPFGFTFXSA-N -1 3 534.568 5.356 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312626 572230184 /nfs/dbraw/zinc/23/01/84/572230184.db2.gz WOOBXIQFTGUXPE-HPNWTYDNSA-N -1 3 541.607 5.336 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(Br)c2)cc1 ZINC000245329233 572235617 /nfs/dbraw/zinc/23/56/17/572235617.db2.gz YLUNISOTQNJPEO-WXFUMESZSA-N -1 3 525.374 5.428 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000245329239 572235647 /nfs/dbraw/zinc/23/56/47/572235647.db2.gz YPNBMVQWNKQRHU-MJSOWUPRSA-N -1 3 596.611 5.893 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340639 572258413 /nfs/dbraw/zinc/25/84/13/572258413.db2.gz VFFRXJDXMHLXLI-HEFUCBFLSA-N -1 3 541.607 5.336 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396080 572283980 /nfs/dbraw/zinc/28/39/80/572283980.db2.gz AUSQXERVLUTFPV-HOYUZMNJSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253409645 572287196 /nfs/dbraw/zinc/28/71/96/572287196.db2.gz MDYZDYBXJAKXOK-IJAHGLKVSA-N -1 3 705.757 5.248 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253414906 572289153 /nfs/dbraw/zinc/28/91/53/572289153.db2.gz ZAPICERQPURZKN-HGGZLQRRSA-N -1 3 763.793 5.174 50 0 KKAAHM COCCN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc(Br)c([O-])c(OC)c1 ZINC000254508142 1072860515 /nfs/dbraw/zinc/86/05/15/1072860515.db2.gz BORRWNKXJGBHEI-UHFFFAOYSA-N -1 3 531.259 5.429 50 0 KKAAHM O=C([N-]c1c(F)cc(Br)cc1Br)c1ccc(COc2ccccc2Cl)o1 ZINC000000651575 551512833 /nfs/dbraw/zinc/51/28/33/551512833.db2.gz MBUQBGQNCSILDT-UHFFFAOYSA-N -1 3 503.549 6.428 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4cc(Cl)ccc4Cl)o3)cc2)cc1 ZINC000000651571 551512848 /nfs/dbraw/zinc/51/28/48/551512848.db2.gz XPRJFHHQFJSELJ-UHFFFAOYSA-N -1 3 547.416 6.227 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000674271 551521209 /nfs/dbraw/zinc/52/12/09/551521209.db2.gz ZKLCEMFYXDBCSD-HNNXBMFYSA-N -1 3 509.411 5.599 50 0 KKAAHM CCc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c(Br)c1 ZINC000000676750 551522237 /nfs/dbraw/zinc/52/22/37/551522237.db2.gz PSFXSGARJQMJAL-UHFFFAOYSA-N -1 3 576.538 5.321 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C)C2 ZINC000000707197 551531711 /nfs/dbraw/zinc/53/17/11/551531711.db2.gz LWVQHJQBTCKCJX-NSHDSACASA-N -1 3 597.413 6.386 50 0 KKAAHM O=C1c2ccc(Oc3ccc(Oc4ccc5c(c4)C(=O)N(c4ccccc4O)C5=O)cc3)cc2C(=O)N1c1ccccc1[O-] ZINC000000865535 551552373 /nfs/dbraw/zinc/55/23/73/551552373.db2.gz HVHPBDWSOHFGDQ-UHFFFAOYSA-N -1 3 584.540 6.284 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(OCC)cc4)cc(C)n3n2)c(C(=O)OCC)c1C ZINC000000994220 551594169 /nfs/dbraw/zinc/59/41/69/551594169.db2.gz VQPIFQBDIRZKSG-UHFFFAOYSA-N -1 3 536.610 5.079 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000996171 551594609 /nfs/dbraw/zinc/59/46/09/551594609.db2.gz GMTSFDMSQLEDTR-UHFFFAOYSA-N -1 3 559.389 5.956 50 0 KKAAHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001382321 551659985 /nfs/dbraw/zinc/65/99/85/551659985.db2.gz KMGPKLZQFRHQQZ-UHFFFAOYSA-N -1 3 507.715 6.109 50 0 KKAAHM CCCCn1c([N-]C(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000001772620 551696904 /nfs/dbraw/zinc/69/69/04/551696904.db2.gz KDGFUSZPPZFVQQ-UHFFFAOYSA-N -1 3 553.438 5.825 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001823606 551709348 /nfs/dbraw/zinc/70/93/48/551709348.db2.gz YPQDCPQVFUCCLG-NAKRPHOHSA-N -1 3 519.041 6.529 50 0 biogenic KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000001870163 551719392 /nfs/dbraw/zinc/71/93/92/551719392.db2.gz TZUNLFJDWCLZIL-OCBJUFRSSA-N -1 3 599.481 6.396 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CCC2 ZINC000002092688 551759286 /nfs/dbraw/zinc/75/92/86/551759286.db2.gz IWZHDOCGNBBRHR-UHFFFAOYSA-N -1 3 579.398 6.157 50 0 KKAAHM CCCCc1cc(=O)oc2cc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002095311 551761207 /nfs/dbraw/zinc/76/12/07/551761207.db2.gz GALCYHHIBLIXLN-HHHXNRCGSA-N -1 3 505.592 5.069 50 0 biogenic KKAAHM CCOC(=O)c1c(-c2cccc3ccccc32)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002105653 551763315 /nfs/dbraw/zinc/76/33/15/551763315.db2.gz RJXZPHQIZKGVEX-UHFFFAOYSA-N -1 3 534.996 7.753 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000002108973 551766575 /nfs/dbraw/zinc/76/65/75/551766575.db2.gz BCGIWCUTZNLMGW-OFSOJUDTSA-N -1 3 510.634 6.492 50 0 biogenic,in-vitro KKAAHM Cc1ccc(CSc2nnc3c(n2)O[C@]2([N-]c4ccccc4-3)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000002113836 551768688 /nfs/dbraw/zinc/76/86/88/551768688.db2.gz KDYQQVFBTLCYDO-VWLOTQADSA-N -1 3 532.423 5.511 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000002134741 551773539 /nfs/dbraw/zinc/77/35/39/551773539.db2.gz XNUVPMMMWGKWLQ-UHFFFAOYSA-N -1 3 523.438 5.991 50 0 KKAAHM CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002152047 551778977 /nfs/dbraw/zinc/77/89/77/551778977.db2.gz UHRCAKHYXKGXNA-HHHXNRCGSA-N -1 3 519.619 5.378 50 0 biogenic KKAAHM Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-3)cc1 ZINC000002190780 551789705 /nfs/dbraw/zinc/78/97/05/551789705.db2.gz WCKXFNLTCHQUPT-UHFFFAOYSA-N -1 3 546.696 6.495 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002305227 552090030 /nfs/dbraw/zinc/09/00/30/552090030.db2.gz DDCLOIJZTUSFLH-UHFFFAOYSA-N -1 3 537.695 6.423 50 0 KKAAHM O=c1[n-]c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000002316527 552092736 /nfs/dbraw/zinc/09/27/36/552092736.db2.gz MAUARKSFMWHCFJ-UHFFFAOYSA-N -1 3 532.669 5.855 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002357407 552101577 /nfs/dbraw/zinc/10/15/77/552101577.db2.gz NYTAYMOYEDZLMW-JOCHJYFZSA-N -1 3 520.379 5.632 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002357585 552101631 /nfs/dbraw/zinc/10/16/31/552101631.db2.gz JRAWYNDUBPIEKX-HXUWFJFHSA-N -1 3 510.340 5.225 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000002396753 552110164 /nfs/dbraw/zinc/11/01/64/552110164.db2.gz QIZQNSIJWGZAPB-NJDAHSKKSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002435325 552118491 /nfs/dbraw/zinc/11/84/91/552118491.db2.gz LCFKPPVJFFJQLC-DSNGMDLFSA-N -1 3 539.802 6.958 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000002594301 552133962 /nfs/dbraw/zinc/13/39/62/552133962.db2.gz UQGXJZXTNSJLMB-DGCLKSJQSA-N -1 3 591.033 6.234 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000002594302 552134036 /nfs/dbraw/zinc/13/40/36/552134036.db2.gz UQGXJZXTNSJLMB-AAEUAGOBSA-N -1 3 591.033 6.234 50 0 KKAAHM CC(C)OC(=O)c1c(-c2ccc(Br)cc2)csc1[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000002756314 552177954 /nfs/dbraw/zinc/17/79/54/552177954.db2.gz VSDVDXHOUGOLIK-UHFFFAOYSA-N -1 3 552.874 8.002 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc(C)c1-c1ccc([C@@H](C)CC)cc1 ZINC000002759550 552182014 /nfs/dbraw/zinc/18/20/14/552182014.db2.gz MPMFRUBNPHLIDY-HNNXBMFYSA-N -1 3 555.071 8.422 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)c(C)c1 ZINC000002842060 552199487 /nfs/dbraw/zinc/19/94/87/552199487.db2.gz PCVLGZPAJBBVKQ-UHFFFAOYSA-N -1 3 530.096 6.099 50 0 KKAAHM CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)s1 ZINC000002853130 552201717 /nfs/dbraw/zinc/20/17/17/552201717.db2.gz IWIVWHMDDHCYKH-UHFFFAOYSA-N -1 3 517.698 5.632 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=S)Nc3ccc(Br)cc3Cl)cc2)cc1 ZINC000002855573 552202206 /nfs/dbraw/zinc/20/22/06/552202206.db2.gz OKPQAMQYBSIDAB-UHFFFAOYSA-N -1 3 510.866 6.021 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000002861835 552204364 /nfs/dbraw/zinc/20/43/64/552204364.db2.gz UITOAJZIMCEARQ-OAQYLSRUSA-N -1 3 544.760 5.808 50 0 KKAAHM Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000002887006 552209820 /nfs/dbraw/zinc/20/98/20/552209820.db2.gz NQYWBLBFMZRNMV-UHFFFAOYSA-N -1 3 521.746 5.353 50 0 KKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(Br)cc3)c(O)c2)cc1[O-])c1ccc(Br)cc1 ZINC000002897758 552212330 /nfs/dbraw/zinc/21/23/30/552212330.db2.gz NTFTVDLBQTVZKR-UHFFFAOYSA-N -1 3 596.275 6.718 50 0 KKAAHM O=C(COc1ccccc1Br)[N-]n1c(=O)c2sccc2nc1SCc1ccc(F)cc1Cl ZINC000002932437 552226426 /nfs/dbraw/zinc/22/64/26/552226426.db2.gz WSELBUSCFDRBDB-UHFFFAOYSA-N -1 3 554.850 5.454 50 0 KKAAHM CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[N-]C(=O)COc2ccccc2Br)cc1 ZINC000002932509 552226440 /nfs/dbraw/zinc/22/64/40/552226440.db2.gz NOODFOGAUGOHBX-UHFFFAOYSA-N -1 3 587.521 5.224 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000003043608 552274628 /nfs/dbraw/zinc/27/46/28/552274628.db2.gz QKSFVUIOICQKCX-UHFFFAOYSA-N -1 3 556.687 5.457 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000003146884 552297162 /nfs/dbraw/zinc/29/71/62/552297162.db2.gz OVDLQKREZONSES-UHFFFAOYSA-N -1 3 508.621 5.697 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003218291 552308975 /nfs/dbraw/zinc/30/89/75/552308975.db2.gz PJJMHGPMEFLXAE-UHFFFAOYSA-N -1 3 565.866 5.498 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003300900 552345854 /nfs/dbraw/zinc/34/58/54/552345854.db2.gz MHGSLPAZDOTHFT-UHFFFAOYSA-N -1 3 580.110 5.181 50 0 KKAAHM O=c1nc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)[n-]c2scc(-c3ccccc3)c21 ZINC000003304340 552348024 /nfs/dbraw/zinc/34/80/24/552348024.db2.gz LAWGAMINTVIXKE-UHFFFAOYSA-N -1 3 568.749 6.642 50 0 KKAAHM O=c1nc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)[n-]c2scc(-c3ccccc3)c21 ZINC000003338962 552362181 /nfs/dbraw/zinc/36/21/81/552362181.db2.gz NDWXAEZNKJGEOJ-UHFFFAOYSA-N -1 3 517.655 6.847 50 0 KKAAHM COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc1)oc1ccccc12 ZINC000003376232 552376572 /nfs/dbraw/zinc/37/65/72/552376572.db2.gz QVVGHDYTBYTPRD-QGZVFWFLSA-N -1 3 579.030 6.233 50 0 KKAAHM CCOC(=O)c1sc2[n-]c(CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(OCC)cc3)nc(=O)c2c1C ZINC000003427268 552384743 /nfs/dbraw/zinc/38/47/43/552384743.db2.gz BTZRJRDDWUXFSI-UHFFFAOYSA-N -1 3 577.688 5.417 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656024 552404298 /nfs/dbraw/zinc/40/42/98/552404298.db2.gz KBFSRBDMAYAUHM-JOCHJYFZSA-N -1 3 522.351 5.024 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656227 552405295 /nfs/dbraw/zinc/40/52/95/552405295.db2.gz IQYYGAQCOVEAAQ-QFIPXVFZSA-N -1 3 585.248 6.086 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(OCCO)c3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000004015989 552426946 /nfs/dbraw/zinc/42/69/46/552426946.db2.gz QNIOCDNLBWUVTN-UHFFFAOYSA-N -1 3 535.725 6.881 50 0 KKAAHM CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1 ZINC000005949822 552516380 /nfs/dbraw/zinc/51/63/80/552516380.db2.gz WNPUSYNGPHJQBV-JOCHJYFZSA-N -1 3 596.178 6.272 50 0 KKAAHM CN1CCc2ccccc2[C@@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102570 552534529 /nfs/dbraw/zinc/53/45/29/552534529.db2.gz FMTODOGGTULXOJ-QHCPKHFHSA-N -1 3 528.518 6.297 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000006143754 552545430 /nfs/dbraw/zinc/54/54/30/552545430.db2.gz RKKQGZSCOWQTIJ-UHFFFAOYSA-N -1 3 559.673 5.362 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000006143754 552545432 /nfs/dbraw/zinc/54/54/32/552545432.db2.gz RKKQGZSCOWQTIJ-UHFFFAOYSA-N -1 3 559.673 5.362 50 0 KKAAHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000008384414 552989341 /nfs/dbraw/zinc/98/93/41/552989341.db2.gz XRZVQSFDHPSXOT-UHFFFAOYSA-N -1 3 650.562 5.645 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CCCCC2 ZINC000008397269 552996424 /nfs/dbraw/zinc/99/64/24/552996424.db2.gz YYRFCBBHPVBFKY-UHFFFAOYSA-N -1 3 607.452 6.937 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCCC(=O)Nc2cc(Oc3cccc(N)c3)c3ccccc3c2[O-])c(C(C)(C)CC)c1 ZINC000008397748 552997502 /nfs/dbraw/zinc/99/75/02/552997502.db2.gz RJXKJHSVBDFSHQ-UHFFFAOYSA-N -1 3 582.785 9.483 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008431517 553023471 /nfs/dbraw/zinc/02/34/71/553023471.db2.gz MHXSHKCFSRQNKN-GFCCVEGCSA-N -1 3 641.535 7.491 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000008444143 553049318 /nfs/dbraw/zinc/04/93/18/553049318.db2.gz SZKHMKSSOHCFGQ-GJZGRUSLSA-N -1 3 663.900 6.935 50 0 KKAAHM COc1ccc(OC)c([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008595513 553088863 /nfs/dbraw/zinc/08/88/63/553088863.db2.gz DPODYPQPTDQRSR-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc(OC)c([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008595513 553088866 /nfs/dbraw/zinc/08/88/66/553088866.db2.gz DPODYPQPTDQRSR-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM CCc1cc2c(cc1OC(=O)N(c1ccccc1)c1ccccc1)occ(-c1nc3ccccc3[n-]1)c2=O ZINC000008742811 553133500 /nfs/dbraw/zinc/13/35/00/553133500.db2.gz UTYAJSCGRXVLFV-UHFFFAOYSA-N -1 3 501.542 7.236 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008845165 553165513 /nfs/dbraw/zinc/16/55/13/553165513.db2.gz TZDWLYWUNIYXCU-AREMUKBSSA-N -1 3 508.405 6.194 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000009109805 553209929 /nfs/dbraw/zinc/20/99/29/553209929.db2.gz RPAOVPSORWAUDF-ACIRYHQQSA-N -1 3 525.048 6.237 50 0 KKAAHM [O-]c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1-c1n[nH]cc1Oc1ccccc1Br ZINC000009158958 553215293 /nfs/dbraw/zinc/21/52/93/553215293.db2.gz CZAHZLCEFFEGJW-UHFFFAOYSA-N -1 3 506.183 7.223 50 0 KKAAHM COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccc5[O-])nc4c32)cc1OC ZINC000009185591 553217202 /nfs/dbraw/zinc/21/72/02/553217202.db2.gz YJJANPURRZVEPX-VWLOTQADSA-N -1 3 502.530 5.953 50 0 KKAAHM CCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])cc1 ZINC000009187777 553218062 /nfs/dbraw/zinc/21/80/62/553218062.db2.gz QHXZAGSBFKYUOL-UHFFFAOYSA-N -1 3 513.377 6.946 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1CN1CCC(C)CC1 ZINC000009191673 553218613 /nfs/dbraw/zinc/21/86/13/553218613.db2.gz TWXKUKLOLJECQZ-JBOQNHBVSA-N -1 3 525.649 5.287 50 0 KKAAHM CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000009243117 553226719 /nfs/dbraw/zinc/22/67/19/553226719.db2.gz RAROXOAPCDECFB-SANMLTNESA-N -1 3 504.974 5.292 50 0 KKAAHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000009354513 553246019 /nfs/dbraw/zinc/24/60/19/553246019.db2.gz IHODMLMPAXKQHG-UHFFFAOYSA-N -1 3 509.653 5.732 50 0 KKAAHM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000009414324 553258083 /nfs/dbraw/zinc/25/80/83/553258083.db2.gz OHMMSMRCYQXZDF-UHFFFAOYSA-N -1 3 503.580 5.030 50 0 KKAAHM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)C1 ZINC000009445244 553265057 /nfs/dbraw/zinc/26/50/57/553265057.db2.gz KVOWMSUXOCIOPR-KRWDZBQOSA-N -1 3 507.637 5.342 50 0 KKAAHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000009581419 553282041 /nfs/dbraw/zinc/28/20/41/553282041.db2.gz HTLYUGJISSFHHI-JOCHJYFZSA-N -1 3 505.817 5.709 50 0 KKAAHM Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(Br)cc2)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000009581416 553282049 /nfs/dbraw/zinc/28/20/49/553282049.db2.gz HTLYUGJISSFHHI-QFIPXVFZSA-N -1 3 505.817 5.709 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2c(OC)cccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679062 553296015 /nfs/dbraw/zinc/29/60/15/553296015.db2.gz JFCXMNXAFPWZDX-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2c(OC)cccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679062 553296016 /nfs/dbraw/zinc/29/60/16/553296016.db2.gz JFCXMNXAFPWZDX-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM Cc1[nH]c2ccccc2c1CCN(C(=O)c1ccc([O-])cc1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 ZINC000009971751 553322703 /nfs/dbraw/zinc/32/27/03/553322703.db2.gz JBARPEQAMBHKNZ-UHFFFAOYSA-N -1 3 523.677 6.825 50 0 KKAAHM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000011617349 553339942 /nfs/dbraw/zinc/33/99/42/553339942.db2.gz VDVQFCHMJVIZBT-UHFFFAOYSA-N -1 3 515.616 5.746 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(F)cccc1Cl ZINC000011757967 553341517 /nfs/dbraw/zinc/34/15/17/553341517.db2.gz PWBUTMJJJRJWBZ-UHFFFAOYSA-N -1 3 539.894 5.688 50 0 KKAAHM CC(C)(C)c1cc(-n2c3ccc(Cl)cc3nc2-c2cc(Br)ccc2[O-])cc(C(C)(C)C)c1O ZINC000012381551 553362111 /nfs/dbraw/zinc/36/21/11/553362111.db2.gz ZZPPVGZLSQHRLD-UHFFFAOYSA-N -1 3 527.890 8.115 50 0 KKAAHM Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2ccccc2[O-])CCC(C(C)(C)C)CC1 ZINC000012462929 553367274 /nfs/dbraw/zinc/36/72/74/553367274.db2.gz KTWOCWOAUWRLFB-UHFFFAOYSA-N -1 3 512.694 7.265 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n3)cc2)cc1 ZINC000012954860 553429383 /nfs/dbraw/zinc/42/93/83/553429383.db2.gz IPBJTIIPDSQRMU-UHFFFAOYSA-N -1 3 527.446 6.569 50 0 KKAAHM COc1ccc(-c2cc(C(F)(F)F)nc(N3N=C(c4ccccc4)C[C@]3([O-])C(F)(F)F)n2)cc1OC ZINC000013642944 553479301 /nfs/dbraw/zinc/47/93/01/553479301.db2.gz KRAFWQOZWKGBBF-NRFANRHFSA-N -1 3 512.410 5.045 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013806999 553491770 /nfs/dbraw/zinc/49/17/70/553491770.db2.gz CMVWLEGROGMBLI-VJGNERBWSA-N -1 3 504.558 5.454 50 0 KKAAHM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000014186159 553506096 /nfs/dbraw/zinc/50/60/96/553506096.db2.gz APSLGUVGNUBYHL-ZDUSSCGKSA-N -1 3 515.871 6.567 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc(I)c1[O-] ZINC000015945220 553544072 /nfs/dbraw/zinc/54/40/72/553544072.db2.gz VRKKXMNXZIBARC-BUXKBTBVSA-N -1 3 526.440 5.462 50 0 KKAAHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000015980789 553548668 /nfs/dbraw/zinc/54/86/68/553548668.db2.gz ROVZNDZYWBCDPB-UHFFFAOYSA-N -1 3 511.040 5.687 50 0 KKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000017013714 553586555 /nfs/dbraw/zinc/58/65/55/553586555.db2.gz PEMBCDDSESZAOZ-UHFFFAOYSA-N -1 3 510.417 5.836 50 0 KKAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)C1 ZINC000017244562 553591312 /nfs/dbraw/zinc/59/13/12/553591312.db2.gz MPGSFUIZADXDKE-HDICACEKSA-N -1 3 521.664 5.588 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017951393 553600638 /nfs/dbraw/zinc/60/06/38/553600638.db2.gz HSHCZSPOSYRBCV-IARZGTGTSA-N -1 3 516.594 5.324 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017991135 553601073 /nfs/dbraw/zinc/60/10/73/553601073.db2.gz RAYJLBGXBQZTPU-FCEKVYKBSA-N -1 3 514.578 5.128 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018066593 553603053 /nfs/dbraw/zinc/60/30/53/553603053.db2.gz FDUKXOPMQCRVOR-JBOQNHBVSA-N -1 3 522.601 6.078 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018068502 553603144 /nfs/dbraw/zinc/60/31/44/553603144.db2.gz PYKBDSGRJSXQIY-BDTNDASRSA-N -1 3 513.775 5.162 50 0 KKAAHM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(N4CCN(C5CCCCC5)CC4)s3)cc2Cl)CC1 ZINC000072190218 553645956 /nfs/dbraw/zinc/64/59/56/553645956.db2.gz OFZJKCQENFPZBH-UHFFFAOYSA-N -1 3 649.670 6.581 50 0 world KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2ccccc2n(C)c1=O)CC(=O)O3 ZINC000079188955 553666935 /nfs/dbraw/zinc/66/69/35/553666935.db2.gz FTVNIFJUUJWBRF-YWKUXUQZSA-N -1 3 529.589 5.167 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 ZINC000079192440 553668394 /nfs/dbraw/zinc/66/83/94/553668394.db2.gz IOTMUZMRGHPKRE-BPJPRKTFSA-N -1 3 515.562 5.157 50 0 KKAAHM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000085879522 553689624 /nfs/dbraw/zinc/68/96/24/553689624.db2.gz HHUIWNOORXBLOX-XSUFSDPKSA-N -1 3 598.692 6.945 50 0 KKAAHM CCN(CC)S(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000096022269 553720433 /nfs/dbraw/zinc/72/04/33/553720433.db2.gz QFAAQFRWYBJRPA-UHFFFAOYSA-N -1 3 526.294 6.798 50 0 KKAAHM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852787 553761821 /nfs/dbraw/zinc/76/18/21/553761821.db2.gz QWMRWHOZBJXVSR-AREMUKBSSA-N -1 3 513.642 5.441 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000097949202 553800346 /nfs/dbraw/zinc/80/03/46/553800346.db2.gz GIMIQMSZZPYIDT-HNNXBMFYSA-N -1 3 665.532 7.438 50 0 KKAAHM CCOC(=O)[C@]([O-])(c1ccc(N[C@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)c(C)c1)C(F)(F)F ZINC000097949534 553802214 /nfs/dbraw/zinc/80/22/14/553802214.db2.gz CDVLMJNFOLYHDG-JTHBVZDNSA-N -1 3 533.480 5.693 50 0 KKAAHM CCOC(=O)[C@@]([O-])(c1ccc(N[C@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)c(C)c1)C(F)(F)F ZINC000097949533 553802278 /nfs/dbraw/zinc/80/22/78/553802278.db2.gz CDVLMJNFOLYHDG-GMAHTHKFSA-N -1 3 533.480 5.693 50 0 KKAAHM CCCCCCn1c2ccccc2nc1SCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000025393993 553807873 /nfs/dbraw/zinc/80/78/73/553807873.db2.gz ODVAYBKZBUCUHP-UHFFFAOYSA-N -1 3 509.100 7.527 50 0 KKAAHM CC(=O)[C@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585144 553812204 /nfs/dbraw/zinc/81/22/04/553812204.db2.gz NIGWSUXVINZRPB-SMCANUKXSA-N -1 3 517.625 6.538 50 0 KKAAHM O=C(c1ccccc1)C1=C(Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000027016855 553823124 /nfs/dbraw/zinc/82/31/24/553823124.db2.gz PMTXGVBITKHZLP-GLTSZZCKSA-N -1 3 511.283 5.657 50 0 KKAAHM COc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(Br)c1[O-] ZINC000097956271 553837285 /nfs/dbraw/zinc/83/72/85/553837285.db2.gz ONSXXLHPZRWREN-NRFANRHFSA-N -1 3 521.367 5.027 50 0 KKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000097960005 553867564 /nfs/dbraw/zinc/86/75/64/553867564.db2.gz ROCSMWBNFKAGOT-UHFFFAOYSA-N -1 3 562.508 5.652 50 0 KKAAHM CC[C@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 ZINC000033357959 553952249 /nfs/dbraw/zinc/95/22/49/553952249.db2.gz KMUCKXVUVLIPEF-IBGZPJMESA-N -1 3 607.939 5.532 50 0 KKAAHM CC[C@@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 ZINC000033357958 553952266 /nfs/dbraw/zinc/95/22/66/553952266.db2.gz KMUCKXVUVLIPEF-LJQANCHMSA-N -1 3 607.939 5.532 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)Nc3cccc(S(=O)(=O)Nc4cc(C)ccc4Br)c3)cc2)cc1 ZINC000097980618 553989903 /nfs/dbraw/zinc/98/99/03/553989903.db2.gz SFLBEQQSPINMTC-RQZCQDPDSA-N -1 3 656.580 6.020 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000097999662 554044882 /nfs/dbraw/zinc/04/48/82/554044882.db2.gz PAFZQTBMMFUQNN-PBHICJAKSA-N -1 3 645.056 6.190 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccccc1OC)(C(=O)OC)C(F)(F)F ZINC000098003619 554055385 /nfs/dbraw/zinc/05/53/85/554055385.db2.gz GGFWHWYOCLYXMT-RUZDIDTESA-N -1 3 550.555 5.182 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccc(OC)cc1)(C(=O)OC)C(F)(F)F ZINC000098003617 554055448 /nfs/dbraw/zinc/05/54/48/554055448.db2.gz IISLRZJIHOPSQH-RUZDIDTESA-N -1 3 550.555 5.182 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843202 554081560 /nfs/dbraw/zinc/08/15/60/554081560.db2.gz JNONEFZBHJQXSE-SVYISMGTSA-N -1 3 519.000 6.055 50 0 KKAAHM CC(C)Oc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000098015745 554102052 /nfs/dbraw/zinc/10/20/52/554102052.db2.gz NRWUZGYWHXLAKR-UHFFFAOYSA-N -1 3 536.963 6.195 50 0 KKAAHM COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2N(C)C)cc1 ZINC000098020208 554117478 /nfs/dbraw/zinc/11/74/78/554117478.db2.gz ABJLUCNWFMWAQD-UHFFFAOYSA-N -1 3 559.688 5.413 50 0 KKAAHM CCc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098046961 554145463 /nfs/dbraw/zinc/14/54/63/554145463.db2.gz QSQVSXRKRYSIRA-GDLZYMKVSA-N -1 3 532.040 6.112 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000098046959 554145519 /nfs/dbraw/zinc/14/55/19/554145519.db2.gz OTWGSXCFGHPGLU-HHHXNRCGSA-N -1 3 538.431 6.203 50 0 KKAAHM Cc1ccc([C@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047860 554157067 /nfs/dbraw/zinc/15/70/67/554157067.db2.gz GMPOJAHKPJBYTD-QFIPXVFZSA-N -1 3 563.129 7.459 50 0 KKAAHM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCN(Cc2ccccc2)CC1 ZINC000098049446 554166037 /nfs/dbraw/zinc/16/60/37/554166037.db2.gz NQLCPJCEUNPNHN-UHFFFAOYSA-N -1 3 543.531 5.163 50 0 KKAAHM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000100024991 554183332 /nfs/dbraw/zinc/18/33/32/554183332.db2.gz DHFPVRXSNBXFJO-UHFFFAOYSA-N -1 3 518.447 6.420 50 0 KKAAHM Cc1cc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc(-c2nc3ccccc3s2)c1[O-] ZINC000100024988 554183352 /nfs/dbraw/zinc/18/33/52/554183352.db2.gz XLWJUYIDUOIFIH-UHFFFAOYSA-N -1 3 548.487 7.020 50 0 KKAAHM COC(=O)C[C@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000100255979 554264344 /nfs/dbraw/zinc/26/43/44/554264344.db2.gz BOWXYMUUJRDBAD-GOSISDBHSA-N -1 3 565.438 5.121 50 0 KKAAHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146203 554269566 /nfs/dbraw/zinc/26/95/66/554269566.db2.gz ABZPZZXSHCGVQI-DHLKQENFSA-N -1 3 529.584 5.263 50 0 KKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)c(O)c2)cc1[O-])C(c1ccccc1)c1ccccc1 ZINC000100308581 554297284 /nfs/dbraw/zinc/29/72/84/554297284.db2.gz UADYPWPONRIPFE-UHFFFAOYSA-N -1 3 618.733 8.230 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1cc(C)ccc1C(C)(C)C ZINC000045796253 554311456 /nfs/dbraw/zinc/31/14/56/554311456.db2.gz PCVYTOMEEDGIJY-NAKRPHOHSA-N -1 3 514.691 6.763 50 0 KKAAHM COc1ccc([C@@H]2CN[C@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390742 554348445 /nfs/dbraw/zinc/34/84/45/554348445.db2.gz IALDDJYIZAGUBA-GMCHKSTQSA-N -1 3 537.685 6.284 50 0 KKAAHM COc1ccc([C@H]2CN[C@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390747 554348650 /nfs/dbraw/zinc/34/86/50/554348650.db2.gz IALDDJYIZAGUBA-AKGWNBJDSA-N -1 3 537.685 6.284 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(Br)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103033 554379119 /nfs/dbraw/zinc/37/91/19/554379119.db2.gz DSLKNRDVBBRHNN-HSZRJFAPSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(Br)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103033 554379122 /nfs/dbraw/zinc/37/91/22/554379122.db2.gz DSLKNRDVBBRHNN-HSZRJFAPSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2cccc(Br)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103035 554379155 /nfs/dbraw/zinc/37/91/55/554379155.db2.gz DSLKNRDVBBRHNN-QHCPKHFHSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2cccc(Br)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103035 554379152 /nfs/dbraw/zinc/37/91/52/554379152.db2.gz DSLKNRDVBBRHNN-QHCPKHFHSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000059626559 554414884 /nfs/dbraw/zinc/41/48/84/554414884.db2.gz JXJZAYVNKKOLAW-RUZDIDTESA-N -1 3 534.410 5.621 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000059626788 554415144 /nfs/dbraw/zinc/41/51/44/554415144.db2.gz BKITZIYPFPTEQF-HSZRJFAPSA-N -1 3 524.371 5.214 50 0 KKAAHM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652143 554419614 /nfs/dbraw/zinc/41/96/14/554419614.db2.gz QBNJNMXNCFMCLA-UHFFFAOYSA-N -1 3 618.108 5.431 50 0 KKAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000100958423 554541440 /nfs/dbraw/zinc/54/14/40/554541440.db2.gz TZWHFKKEPFESLL-MGSPXPDISA-N -1 3 612.514 5.089 50 0 KKAAHM O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101090128 554581680 /nfs/dbraw/zinc/58/16/80/554581680.db2.gz CNRURTAQIHVHLZ-MRXNPFEDSA-N -1 3 533.391 5.058 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101091315 554582537 /nfs/dbraw/zinc/58/25/37/554582537.db2.gz JSGQRPYSFKALDC-OLUZHXLYSA-N -1 3 536.628 6.469 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101106617 554640221 /nfs/dbraw/zinc/64/02/21/554640221.db2.gz FDUKXOPMQCRVOR-OCBJUFRSSA-N -1 3 522.601 6.078 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115215 554642805 /nfs/dbraw/zinc/64/28/05/554642805.db2.gz AEFDWUVQUGACEF-NLDZOOGBSA-N -1 3 534.568 5.274 50 0 KKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000101127206 554646083 /nfs/dbraw/zinc/64/60/83/554646083.db2.gz WFPOBVUWSZPAPJ-FSSWDIPSSA-N -1 3 502.876 5.419 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000101250708 554694088 /nfs/dbraw/zinc/69/40/88/554694088.db2.gz BDKBPVWBEDYCAV-ULKDHTGTSA-N -1 3 541.648 5.001 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000101329551 554730265 /nfs/dbraw/zinc/73/02/65/554730265.db2.gz HZCGCEXSNAFRPF-UHFFFAOYSA-N -1 3 547.485 7.568 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101359155 554741624 /nfs/dbraw/zinc/74/16/24/554741624.db2.gz AMHLAVZLNYUKGP-PAHOUZJPSA-N -1 3 537.830 6.209 50 0 KKAAHM COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1OC ZINC000101362016 554743284 /nfs/dbraw/zinc/74/32/84/554743284.db2.gz BQDZAXVVFZTDEV-GDLZYMKVSA-N -1 3 552.590 7.106 50 0 KKAAHM COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3ccc(Br)o3)CC2)c1 ZINC000101917427 554850615 /nfs/dbraw/zinc/85/06/15/554850615.db2.gz IVBGLLMZJOPLOX-UHFFFAOYSA-N -1 3 524.371 5.012 50 0 KKAAHM CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[N-]c3c(F)c(F)cc(F)c3F)cnn2-c2ccc(F)cc2)CC1 ZINC000102132852 554887121 /nfs/dbraw/zinc/88/71/21/554887121.db2.gz DJALABFNJKWYJP-UHFFFAOYSA-N -1 3 536.501 5.935 50 0 KKAAHM Cc1ccc(NC(=O)c2c(N)c(C(=O)[N-]c3c(F)c(F)c(F)c(F)c3F)sc2NCc2ccco2)c(C)c1 ZINC000102199441 554895633 /nfs/dbraw/zinc/89/56/33/554895633.db2.gz LHKSAROBTGBFEV-JOCHJYFZSA-N -1 3 550.509 5.306 50 0 KKAAHM O=S(=O)([N-]c1ccccc1Cl)c1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000102209421 554896350 /nfs/dbraw/zinc/89/63/50/554896350.db2.gz UHRXEJYMWRYGPG-UHFFFAOYSA-N -1 3 520.385 6.622 50 0 KKAAHM Cc1occc1-c1nnc(SCc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)n1Cc1ccccc1 ZINC000102273949 554906112 /nfs/dbraw/zinc/90/61/12/554906112.db2.gz AIAXKXVTCJQWKF-UHFFFAOYSA-N -1 3 539.686 6.769 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102560800 554967975 /nfs/dbraw/zinc/96/79/75/554967975.db2.gz SGRUXFBROPZOQY-PFBJBMPXSA-N -1 3 616.411 5.562 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102718597 555019336 /nfs/dbraw/zinc/01/93/36/555019336.db2.gz GWPAFWXSQKUICE-PCCBWWKXSA-N -1 3 528.200 5.263 50 0 KKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000102723119 555020653 /nfs/dbraw/zinc/02/06/53/555020653.db2.gz GWRWWWDNIQLMGE-KWXIBIRDSA-N -1 3 514.578 5.093 50 0 KKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102749408 555043724 /nfs/dbraw/zinc/04/37/24/555043724.db2.gz PHZGVBIVILFIRP-MPFGFTFXSA-N -1 3 518.569 5.519 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102750305 555044051 /nfs/dbraw/zinc/04/40/51/555044051.db2.gz JMXJJWRHEJZENI-TWJOJJKGSA-N -1 3 506.986 5.579 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102753921 555045636 /nfs/dbraw/zinc/04/56/36/555045636.db2.gz BOVVKZHOTIIIKU-ZGIBFIJWSA-N -1 3 534.568 5.356 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102757916 555050309 /nfs/dbraw/zinc/05/03/09/555050309.db2.gz LCFKPPVJFFJQLC-ISJGIBHGSA-N -1 3 539.802 6.958 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000102758756 555050710 /nfs/dbraw/zinc/05/07/10/555050710.db2.gz XBGLYYZHIOZHGA-RBZQAINGSA-N -1 3 512.484 5.425 50 0 KKAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 ZINC000102759158 555050898 /nfs/dbraw/zinc/05/08/98/555050898.db2.gz MEKBXZLHXRDSEC-ZGIBFIJWSA-N -1 3 506.558 5.325 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860594 555090838 /nfs/dbraw/zinc/09/08/38/555090838.db2.gz JKBGJHNTTIDYDC-KMDXXIMOSA-N -1 3 571.482 6.080 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102862151 555092235 /nfs/dbraw/zinc/09/22/35/555092235.db2.gz XGGRGRIBRQXWRZ-CCDWMCETSA-N -1 3 516.619 5.163 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883587 555112104 /nfs/dbraw/zinc/11/21/04/555112104.db2.gz TWMUDXNVQVFUQP-NHKHRBQYSA-N -1 3 552.558 5.413 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102890089 555125115 /nfs/dbraw/zinc/12/51/15/555125115.db2.gz YLYWLVZFSPBBLJ-YUJRYHFISA-N -1 3 632.779 6.534 50 0 KKAAHM O=C1Nc2ccc(Cl)cc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000102891040 555126579 /nfs/dbraw/zinc/12/65/79/555126579.db2.gz DRKWHMYCGUOUMF-SAYRZEODSA-N -1 3 552.845 5.661 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102891813 555127852 /nfs/dbraw/zinc/12/78/52/555127852.db2.gz DMRFTMFYUPUYNI-IARZGTGTSA-N -1 3 554.986 5.619 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893730 555131413 /nfs/dbraw/zinc/13/14/13/555131413.db2.gz YVTFFVFKFYNBFH-QAXCHELISA-N -1 3 588.591 6.258 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893969 555132047 /nfs/dbraw/zinc/13/20/47/555132047.db2.gz DCSMQSUQPJLMAR-IARZGTGTSA-N -1 3 607.421 6.411 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000102895782 555135266 /nfs/dbraw/zinc/13/52/66/555135266.db2.gz CEPACTMFKHAIAN-FKGBSIOTSA-N -1 3 555.634 5.645 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102896908 555137319 /nfs/dbraw/zinc/13/73/19/555137319.db2.gz ULDGKVJMNWIMNF-MJSOWUPRSA-N -1 3 576.630 5.659 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC=C3c4ccccc4C(=O)N(c4ccc(C)cc4C)C3=O)cc2)cc1 ZINC000102927543 555152218 /nfs/dbraw/zinc/15/22/18/555152218.db2.gz LCVJLHUVFLCREK-TURZUDJPSA-N -1 3 553.640 5.753 50 0 KKAAHM Cc1cc(C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)n(C)n1 ZINC000102928771 555154486 /nfs/dbraw/zinc/15/44/86/555154486.db2.gz PCLIYQSQRUVLBO-CYXNTTPDSA-N -1 3 577.424 5.306 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102931170 555158582 /nfs/dbraw/zinc/15/85/82/555158582.db2.gz OIRWBXMOGKGXBN-IARZGTGTSA-N -1 3 599.437 5.728 50 0 KKAAHM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000102931322 555158723 /nfs/dbraw/zinc/15/87/23/555158723.db2.gz HVOXNFZDZUPZQI-UHFFFAOYSA-N -1 3 628.069 6.046 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCOCC1)c1ccc(F)cc1Cl ZINC000102996336 555196004 /nfs/dbraw/zinc/19/60/04/555196004.db2.gz LMBCOQGCIGMPAS-UHFFFAOYSA-N -1 3 524.401 5.022 50 0 KKAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1cc(Br)c(Br)s1 ZINC000102996676 555196490 /nfs/dbraw/zinc/19/64/90/555196490.db2.gz XVFHKKQGAMYUSC-UHFFFAOYSA-N -1 3 534.226 5.465 50 0 KKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000103025135 555215523 /nfs/dbraw/zinc/21/55/23/555215523.db2.gz UBUGFDQTDHKARO-YPAWHYETSA-N -1 3 531.328 5.827 50 0 KKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000103025140 555215531 /nfs/dbraw/zinc/21/55/31/555215531.db2.gz YSNVCRQLJRUZRP-YTFSRNRJSA-N -1 3 511.803 5.770 50 0 KKAAHM O=c1nc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000103072834 555252625 /nfs/dbraw/zinc/25/26/25/555252625.db2.gz FXFSWENZHNKHKP-UHFFFAOYSA-N -1 3 580.135 5.030 50 0 KKAAHM O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000103077001 555255895 /nfs/dbraw/zinc/25/58/95/555255895.db2.gz FWJDSHHMCFZRHF-UHFFFAOYSA-N -1 3 539.579 5.622 50 0 KKAAHM COc1ccc(C(=O)N(Cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2N(C)C)[C@H](C)c2ccccc2)cc1 ZINC000103399673 555385732 /nfs/dbraw/zinc/38/57/32/555385732.db2.gz RAJLIZJDTAWANH-HSZRJFAPSA-N -1 3 573.715 5.974 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103523665 555427666 /nfs/dbraw/zinc/42/76/66/555427666.db2.gz QEIGNHXEFMNDAG-ANARSLNQSA-N -1 3 543.069 6.319 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000103527348 555429027 /nfs/dbraw/zinc/42/90/27/555429027.db2.gz TZKKNIYAEZJSNX-OVDFTCDZSA-N -1 3 537.040 6.258 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000103534083 555434343 /nfs/dbraw/zinc/43/43/43/555434343.db2.gz GNKJRLMXOWXUNH-KCIBBDPESA-N -1 3 549.001 6.335 50 0 KKAAHM O=S(=O)([N-]c1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(NS(=O)(=O)c5ccc(Cl)cc5)c(Cl)c4)cc3)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000150345176 562843179 /nfs/dbraw/zinc/84/31/79/562843179.db2.gz FRGCTMVOFXCOGS-UHFFFAOYSA-N -1 3 882.674 9.234 50 0 KKAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 ZINC000104784370 571386092 /nfs/dbraw/zinc/38/60/92/571386092.db2.gz AENSTMZWOKUDJL-XPWALMASSA-N -1 3 605.272 5.033 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21 ZINC000104784449 571386130 /nfs/dbraw/zinc/38/61/30/571386130.db2.gz FULGUTCIYVSNFL-NJDAHSKKSA-N -1 3 579.665 5.669 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000105791419 571408520 /nfs/dbraw/zinc/40/85/20/571408520.db2.gz KYLSEIXLSCTXTH-TZRRMPRUSA-N -1 3 562.047 5.392 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000105792519 571408749 /nfs/dbraw/zinc/40/87/49/571408749.db2.gz WFEJDWMJQSCMGU-GMQQYTKMSA-N -1 3 605.466 5.268 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106014646 571410348 /nfs/dbraw/zinc/41/03/48/571410348.db2.gz DEWWSCGSCXXTIC-JCYYIGJDSA-N -1 3 589.431 6.272 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106017653 571410560 /nfs/dbraw/zinc/41/05/60/571410560.db2.gz FUWAYZYFEKSGHJ-IDZRBWSNSA-N -1 3 589.475 7.022 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000106020762 571410839 /nfs/dbraw/zinc/41/08/39/571410839.db2.gz ABUTVTDZNVYOHY-OIFRRMEBSA-N -1 3 564.594 5.364 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106020339 571410880 /nfs/dbraw/zinc/41/08/80/571410880.db2.gz MERBINIMWJKIGN-JCYYIGJDSA-N -1 3 572.976 5.758 50 0 KKAAHM CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000150408311 571480627 /nfs/dbraw/zinc/48/06/27/571480627.db2.gz PATDSBPVWDXIHH-UHFFFAOYSA-N -1 3 675.616 5.708 50 0 KKAAHM COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3N3CCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000150422248 571488286 /nfs/dbraw/zinc/48/82/86/571488286.db2.gz NFWSUSLPBIHUJL-UHFFFAOYSA-N -1 3 673.191 7.234 50 0 KKAAHM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)c1 ZINC000150430985 571493254 /nfs/dbraw/zinc/49/32/54/571493254.db2.gz JIZRSRVLSPYRDB-UHFFFAOYSA-N -1 3 624.490 6.096 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2Cc2ccco2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150436920 571496501 /nfs/dbraw/zinc/49/65/01/571496501.db2.gz NBLQNBNWNXLPPT-UHFFFAOYSA-N -1 3 656.852 8.523 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150453452 571503644 /nfs/dbraw/zinc/50/36/44/571503644.db2.gz KVWDEHMSDLFUGV-UHFFFAOYSA-N -1 3 638.837 8.480 50 0 KKAAHM Cc1ccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)cc1 ZINC000150456672 571504771 /nfs/dbraw/zinc/50/47/71/571504771.db2.gz DRRBDHQUWRMONY-UHFFFAOYSA-N -1 3 666.891 9.179 50 0 KKAAHM O=S(=O)([N-]c1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1)c1ccc(Br)cc1 ZINC000150459320 571505707 /nfs/dbraw/zinc/50/57/07/571505707.db2.gz QKLSXSMEFZFHHY-LJAQVGFWSA-N -1 3 699.668 6.072 50 0 KKAAHM O=S(=O)([N-]c1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)c1ccc(Br)cc1 ZINC000150459325 571505739 /nfs/dbraw/zinc/50/57/39/571505739.db2.gz QKLSXSMEFZFHHY-GDLZYMKVSA-N -1 3 699.668 6.072 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490526 571517095 /nfs/dbraw/zinc/51/70/95/571517095.db2.gz MQXCVMXAVZYYOG-RDCMJTTRSA-N -1 3 684.372 8.211 50 0 KKAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000170620854 571562650 /nfs/dbraw/zinc/56/26/50/571562650.db2.gz BVHGOJINBRCZKA-FDFHNCONSA-N -1 3 530.886 5.197 50 0 KKAAHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492470 572110402 /nfs/dbraw/zinc/11/04/02/572110402.db2.gz XYQWZRJFPAUFPL-DEOSSOPVSA-N -1 3 520.420 5.567 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000226831777 572142525 /nfs/dbraw/zinc/14/25/25/572142525.db2.gz DLEMHSYCAFTVFC-PCCBWWKXSA-N -1 3 518.194 5.807 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000226821459 572142593 /nfs/dbraw/zinc/14/25/93/572142593.db2.gz COURBZJPRAMGCV-JIMJEQGWSA-N -1 3 529.390 5.662 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226838027 572143259 /nfs/dbraw/zinc/14/32/59/572143259.db2.gz AMHLAVZLNYUKGP-FQJHJXCSSA-N -1 3 537.830 6.209 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000226867334 572144471 /nfs/dbraw/zinc/14/44/71/572144471.db2.gz IPYLSQHNZKETOM-OIFRRMEBSA-N -1 3 548.595 5.746 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227022064 572147492 /nfs/dbraw/zinc/14/74/92/572147492.db2.gz BBOHAIIIDKKKOY-UPRLRBBYSA-N -1 3 556.521 5.244 50 0 KKAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 ZINC000227054038 572148063 /nfs/dbraw/zinc/14/80/63/572148063.db2.gz MEKBXZLHXRDSEC-YTCPBCGMSA-N -1 3 506.558 5.325 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227065944 572148896 /nfs/dbraw/zinc/14/88/96/572148896.db2.gz DEWWSCGSCXXTIC-UPRLRBBYSA-N -1 3 589.431 6.272 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000227085152 572149644 /nfs/dbraw/zinc/14/96/44/572149644.db2.gz BXXVVYZUTAEBKP-JIMJEQGWSA-N -1 3 551.437 5.688 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227085418 572149885 /nfs/dbraw/zinc/14/98/85/572149885.db2.gz NGPGDNUELGEEOY-MNFIMQGSSA-N -1 3 550.655 5.601 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000227232135 572151059 /nfs/dbraw/zinc/15/10/59/572151059.db2.gz BNIOAGSFSYMSRP-OIFRRMEBSA-N -1 3 564.594 5.364 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc(Br)c1O ZINC000227234337 572151626 /nfs/dbraw/zinc/15/16/26/572151626.db2.gz PQKAJLOJBQUIGA-OJKNSHKASA-N -1 3 683.621 6.604 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000227235451 572151661 /nfs/dbraw/zinc/15/16/61/572151661.db2.gz YLYWLVZFSPBBLJ-YDRLCCHASA-N -1 3 632.779 6.534 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227244480 572152748 /nfs/dbraw/zinc/15/27/48/572152748.db2.gz HXMUMYVNZGBUIT-ZGIBFIJWSA-N -1 3 585.454 6.088 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229967288 572174657 /nfs/dbraw/zinc/17/46/57/572174657.db2.gz UUSRNNSJYSJHQE-CTMYTVLESA-N -1 3 544.676 6.611 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000230029780 572180243 /nfs/dbraw/zinc/18/02/43/572180243.db2.gz GYFODTYWKZNASI-HEEDUKKLSA-N -1 3 544.673 5.737 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000230030999 572180279 /nfs/dbraw/zinc/18/02/79/572180279.db2.gz VPGWVCQZJPOUKZ-JIMJEQGWSA-N -1 3 529.390 6.069 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000230189061 572185071 /nfs/dbraw/zinc/18/50/71/572185071.db2.gz UZAVEVBWGKVKHW-CTMYTVLESA-N -1 3 544.582 5.690 50 0 KKAAHM CN(C)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000238937225 572189625 /nfs/dbraw/zinc/18/96/25/572189625.db2.gz ULTDZXNXCGCCHO-DNVJHFABSA-N -1 3 515.919 5.476 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245246140 572218878 /nfs/dbraw/zinc/21/88/78/572218878.db2.gz JLXABJXTIHIMBM-CILKRHGOSA-N -1 3 565.094 6.956 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245246811 572219875 /nfs/dbraw/zinc/21/98/75/572219875.db2.gz OTRWQNZKWQMCSF-BQUCCUTGSA-N -1 3 551.067 6.648 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000245246817 572219983 /nfs/dbraw/zinc/21/99/83/572219983.db2.gz OYNRONYGRHGLMX-DYIKCSJPSA-N -1 3 584.650 5.294 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000245309658 572227586 /nfs/dbraw/zinc/22/75/86/572227586.db2.gz DYRVIGRDKPJWKJ-OZNIXHKMSA-N -1 3 545.422 6.624 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245310433 572228648 /nfs/dbraw/zinc/22/86/48/572228648.db2.gz JIKZPGGKQQGBMI-KCIBBDPESA-N -1 3 546.026 5.981 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000245312503 572229817 /nfs/dbraw/zinc/22/98/17/572229817.db2.gz VCKRTHALUFDKKU-TWJOJJKGSA-N -1 3 519.384 6.613 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245312600 572229926 /nfs/dbraw/zinc/22/99/26/572229926.db2.gz WFPBKOUFZWTAQN-CTMYTVLESA-N -1 3 528.583 6.072 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000245326507 572232958 /nfs/dbraw/zinc/23/29/58/572232958.db2.gz KYLSEIXLSCTXTH-WXFUMESZSA-N -1 3 562.047 5.392 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(-c3ccc(F)cc3)o1)C[C@H](C(C)(C)C)CC2 ZINC000245329034 572235100 /nfs/dbraw/zinc/23/51/00/572235100.db2.gz XADVKYJPWGMYDS-PNRQCZBRSA-N -1 3 628.722 7.136 50 0 KKAAHM CCCCN(CCCC)c1nc(N=NC=C(Br)Cc2ccccc2)nc([N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC000252635932 572271851 /nfs/dbraw/zinc/27/18/51/572271851.db2.gz XCJYALMYJYHYMI-FFROYRAFSA-N -1 3 567.492 6.764 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)C(F)(F)F ZINC000253498251 572292368 /nfs/dbraw/zinc/29/23/68/572292368.db2.gz DOWJATMROPPKME-RUYCYWCUSA-N -1 3 709.956 9.522 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1CC2=CC[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@H]2[C@@H](C)C1)C(F)(F)F ZINC000253504874 572296839 /nfs/dbraw/zinc/29/68/39/572296839.db2.gz FQBZIZMQOQMJMM-ZJSVEPNXSA-N -1 3 709.956 9.378 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)C2=O)cc1 ZINC000103004800 1070971252 /nfs/dbraw/zinc/97/12/52/1070971252.db2.gz IEQJDIIBIXOHPJ-TURZUDJPSA-N -1 3 602.068 5.958 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cccc(NC=C3c4ccccc4C(=O)N(c4ccc(C)c(C)c4)C3=O)c2)cc1 ZINC000103004908 1070971374 /nfs/dbraw/zinc/97/13/74/1070971374.db2.gz DTMMVMWUMUIDEU-CEUNXORHSA-N -1 3 553.640 5.753 50 0 KKAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Sc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000000752171 1071056804 /nfs/dbraw/zinc/05/68/04/1071056804.db2.gz UZGZQRLXBWOBKE-UHFFFAOYSA-N -1 3 524.689 6.056 50 0 KKAAHM O=C(NN=Cc1cc(Br)ccc1[O-])c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 ZINC000263630581 1071155765 /nfs/dbraw/zinc/15/57/65/1071155765.db2.gz KEDWREXSSCZHHY-UHFFFAOYSA-N -1 3 525.790 5.541 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)N1N=C2C(=Cc3cccc(Cl)c3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000150481228 1071172509 /nfs/dbraw/zinc/17/25/09/1071172509.db2.gz PWDLJUBLRXKMDV-BTWOYNIJSA-N -1 3 726.633 9.288 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)c(C)c1 ZINC000000659728 551515395 /nfs/dbraw/zinc/51/53/95/551515395.db2.gz WJROINVOOZUDOX-UHFFFAOYSA-N -1 3 590.045 5.181 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)c(C)c1 ZINC000000674591 551521376 /nfs/dbraw/zinc/52/13/76/551521376.db2.gz PJYHNPCZWCCYQU-UHFFFAOYSA-N -1 3 503.418 5.193 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)cc1 ZINC000000676576 551522096 /nfs/dbraw/zinc/52/20/96/551522096.db2.gz BGOGJNLEMUZUDN-UHFFFAOYSA-N -1 3 539.835 5.320 50 0 KKAAHM O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1ccccc1[O-] ZINC000000990310 551593657 /nfs/dbraw/zinc/59/36/57/551593657.db2.gz VTNSJENQCJNKNO-UHFFFAOYSA-N -1 3 554.814 5.243 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000000996520 551594862 /nfs/dbraw/zinc/59/48/62/551594862.db2.gz CMEAZFSMWNIYJS-UHFFFAOYSA-N -1 3 546.130 6.442 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000000998040 551595067 /nfs/dbraw/zinc/59/50/67/551595067.db2.gz LOJJCVOXPKQLFU-UHFFFAOYSA-N -1 3 540.619 5.098 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000001123661 551613783 /nfs/dbraw/zinc/61/37/83/551613783.db2.gz BAAMQEJBIBBIRF-JOCHJYFZSA-N -1 3 570.779 5.397 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000001277684 551635955 /nfs/dbraw/zinc/63/59/55/551635955.db2.gz FSTVWFOEGZOODZ-QODLHPCFSA-N -1 3 551.067 6.566 50 0 KKAAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(C(=O)OC(C)C)c1C ZINC000002084032 551753870 /nfs/dbraw/zinc/75/38/70/551753870.db2.gz YEQKOTWQIVHVPN-UHFFFAOYSA-N -1 3 552.480 6.626 50 0 KKAAHM CCCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002089046 551758129 /nfs/dbraw/zinc/75/81/29/551758129.db2.gz QIFJPPCMPTZRIX-UHFFFAOYSA-N -1 3 559.015 7.007 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002090121 551758501 /nfs/dbraw/zinc/75/85/01/551758501.db2.gz SSIXISCFNBDVQT-UHFFFAOYSA-N -1 3 554.024 6.363 50 0 KKAAHM CC[C@H](C)c1ccc(-c2c(C)sc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)c2C(=O)OC(C)C)cc1 ZINC000002089696 551758551 /nfs/dbraw/zinc/75/85/51/551758551.db2.gz SBROWUCUNQAFDT-KRWDZBQOSA-N -1 3 551.108 8.671 50 0 KKAAHM COc1ccc(-c2cc(=O)oc3cc(OC(=O)[C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)ccc32)cc1 ZINC000002094022 551760125 /nfs/dbraw/zinc/76/01/25/551760125.db2.gz POCJVFDFEBOVMF-PMERELPUSA-N -1 3 555.608 5.402 50 0 biogenic KKAAHM CCc1c(C)sc([N-]C(=O)c2cc(Br)c(Br)s2)c1C(=O)Nc1ccccc1OC ZINC000002112702 551768267 /nfs/dbraw/zinc/76/82/67/551768267.db2.gz XTFRAASKWPIKGN-UHFFFAOYSA-N -1 3 558.317 6.719 50 0 KKAAHM Cc1ccc(CSc2nnc3c(n2)O[C@@]2([N-]c4ccccc4-3)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000002113834 551768695 /nfs/dbraw/zinc/76/86/95/551768695.db2.gz KDYQQVFBTLCYDO-RUZDIDTESA-N -1 3 532.423 5.511 50 0 KKAAHM COc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc([O-])c4c(c(-c5ccccc5)nn4-c4ccccc4)c32)cc1 ZINC000002267571 551804708 /nfs/dbraw/zinc/80/47/08/551804708.db2.gz PMEMSPJWCIYOEU-UHFFFAOYSA-N -1 3 549.630 7.890 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000002351328 552099997 /nfs/dbraw/zinc/09/99/97/552099997.db2.gz MAJYQGLBNFTPEE-QFIPXVFZSA-N -1 3 524.371 5.214 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000002426286 552116902 /nfs/dbraw/zinc/11/69/02/552116902.db2.gz VRNAWRRLTGUUOX-DSNGMDLFSA-N -1 3 523.347 6.444 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000002589119 552131815 /nfs/dbraw/zinc/13/18/15/552131815.db2.gz MERBINIMWJKIGN-FCEKVYKBSA-N -1 3 572.976 5.758 50 0 KKAAHM CCOC(=O)c1sc2[n-]c(CSc3nnc(-c4ccccc4OC)n3-c3ccc(Cl)cc3)nc(=O)c2c1C ZINC000002656452 552149202 /nfs/dbraw/zinc/14/92/02/552149202.db2.gz VLNZZSLUYVMWMA-UHFFFAOYSA-N -1 3 568.080 5.672 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002717862 552161959 /nfs/dbraw/zinc/16/19/59/552161959.db2.gz VJVYXNBYIQDWCI-UHFFFAOYSA-N -1 3 514.316 5.165 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000002729075 552167812 /nfs/dbraw/zinc/16/78/12/552167812.db2.gz GSJSMAINROOWSL-UHFFFAOYSA-N -1 3 567.387 6.285 50 0 KKAAHM CCOC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OCC)c1 ZINC000002797131 552192608 /nfs/dbraw/zinc/19/26/08/552192608.db2.gz QLSDTXUPCIEAQW-UHFFFAOYSA-N -1 3 564.860 5.700 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000003016823 552260902 /nfs/dbraw/zinc/26/09/02/552260902.db2.gz OQRHLDWZPQJVAV-UHFFFAOYSA-N -1 3 508.625 5.226 50 0 KKAAHM CCOC(=O)C(Sc1nc2c(sc(=S)n2-c2c(C)cccc2C)c(=O)n1-c1c(C)cccc1C)=C(C)[O-] ZINC000003018598 552262032 /nfs/dbraw/zinc/26/20/32/552262032.db2.gz SCHCNKNQSYPDNW-OAQYLSRUSA-N -1 3 553.731 5.814 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1F ZINC000003024125 552265176 /nfs/dbraw/zinc/26/51/76/552265176.db2.gz NPZDLGPKTCSNDW-UHFFFAOYSA-N -1 3 533.753 5.251 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003215116 552306474 /nfs/dbraw/zinc/30/64/74/552306474.db2.gz BRONGWLMKYLZFN-UHFFFAOYSA-N -1 3 547.036 5.344 50 0 KKAAHM COc1cc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1[O-] ZINC000003232533 552315754 /nfs/dbraw/zinc/31/57/54/552315754.db2.gz GQQZSQWACJKXNA-ROUUACIJSA-N -1 3 523.427 5.302 50 0 KKAAHM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000003240501 552318286 /nfs/dbraw/zinc/31/82/86/552318286.db2.gz FPSCFWQLKLSLIX-AWEZNQCLSA-N -1 3 555.867 6.194 50 0 KKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)c1 ZINC000003260366 552326013 /nfs/dbraw/zinc/32/60/13/552326013.db2.gz WTSMZSHWFHVYET-UHFFFAOYSA-N -1 3 528.255 5.795 50 0 KKAAHM O=C(Nc1ccccc1Cc1ccccc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003270412 552331802 /nfs/dbraw/zinc/33/18/02/552331802.db2.gz MMDQBYVYSPCWNI-UHFFFAOYSA-N -1 3 544.982 7.003 50 0 KKAAHM Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1 ZINC000003277228 552334566 /nfs/dbraw/zinc/33/45/66/552334566.db2.gz CNULAOVQEYPCPR-UHFFFAOYSA-N -1 3 590.130 6.428 50 0 KKAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3 ZINC000003288194 552338904 /nfs/dbraw/zinc/33/89/04/552338904.db2.gz DCVHSZNQNKMVFI-UHFFFAOYSA-N -1 3 525.677 5.499 50 0 KKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)CSc1nnc(Nc2ccccc2F)s1 ZINC000003296586 552343463 /nfs/dbraw/zinc/34/34/63/552343463.db2.gz ILMOESCMONICGA-UHFFFAOYSA-N -1 3 508.626 5.609 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)Nc1ccccc1OC(F)F ZINC000003306248 552349014 /nfs/dbraw/zinc/34/90/14/552349014.db2.gz DXCHZUOYVDRBFP-UHFFFAOYSA-N -1 3 528.484 5.398 50 0 KKAAHM CCN(c1ccc(NC(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[n-]2)cc1)C(C)C ZINC000003306494 552349174 /nfs/dbraw/zinc/34/91/74/552349174.db2.gz QRALLLYBZBBCDQ-UHFFFAOYSA-N -1 3 547.628 6.031 50 0 KKAAHM CCc1cc2c(CSC3=N/C(=C/c4ccco4)C(=O)N3c3ccc(OC(F)F)cc3)cc(=O)oc2cc1[O-] ZINC000003347080 552365198 /nfs/dbraw/zinc/36/51/98/552365198.db2.gz UFPPFRKPSUYCGB-CIAFOILYSA-N -1 3 538.528 5.933 50 0 KKAAHM CCOc1ccc(-n2c(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nnc2-c2cccc(C)c2)cc1 ZINC000003359729 552370637 /nfs/dbraw/zinc/37/06/37/552370637.db2.gz NREYUOUTBKPJIZ-UHFFFAOYSA-N -1 3 551.697 6.899 50 0 KKAAHM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)C(=O)N1CCCc2ccccc21 ZINC000003362889 552371966 /nfs/dbraw/zinc/37/19/66/552371966.db2.gz YVLZODZHMDCZFE-INIZCTEOSA-N -1 3 566.985 5.684 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)oc(C)c1C(C)=O ZINC000003425322 552384405 /nfs/dbraw/zinc/38/44/05/552384405.db2.gz ZZSVONXNYXDFOC-UHFFFAOYSA-N -1 3 543.985 5.125 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656117 552404790 /nfs/dbraw/zinc/40/47/90/552404790.db2.gz XWELLJXNQTYSRR-QFIPXVFZSA-N -1 3 556.796 5.677 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656166 552405044 /nfs/dbraw/zinc/40/50/44/552405044.db2.gz GEMLLCVQSNGMFX-OAQYLSRUSA-N -1 3 510.315 5.154 50 0 KKAAHM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4c(F)cc(F)cc4Br)c(Cl)c3n2)cc1OC ZINC000003670828 552412025 /nfs/dbraw/zinc/41/20/25/552412025.db2.gz NKRCSQWQHSAMQP-UHFFFAOYSA-N -1 3 591.718 6.379 50 0 KKAAHM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)c2ccccc2)c([O-])c1 ZINC000004014701 552426257 /nfs/dbraw/zinc/42/62/57/552426257.db2.gz GUBSCLVFQYEBAJ-NDEPHWFRSA-N -1 3 530.709 7.816 50 0 KKAAHM CCCCCC(=O)Nc1ccc(NC(=O)CCCOc2ccc(C(C)(C)CC)cc2C(C)(C)CC)cc1[O-] ZINC000004014696 552426264 /nfs/dbraw/zinc/42/62/64/552426264.db2.gz ADEIMSZOZSHNMV-UHFFFAOYSA-N -1 3 524.746 8.084 50 0 KKAAHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000004074875 552433333 /nfs/dbraw/zinc/43/33/33/552433333.db2.gz GHOSNRCGJFBJIB-NRFANRHFSA-N -1 3 610.671 6.319 50 0 aggregator,fda KKAAHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000004074875 552433337 /nfs/dbraw/zinc/43/33/37/552433337.db2.gz GHOSNRCGJFBJIB-NRFANRHFSA-N -1 3 610.671 6.319 50 0 aggregator,fda KKAAHM Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(=O)[n-]c(SCc4ccc(F)cc4Cl)nc3n2)cc1 ZINC000004793333 552485286 /nfs/dbraw/zinc/48/52/86/552485286.db2.gz JIWPHXKXDWJHCM-UHFFFAOYSA-N -1 3 502.014 7.354 50 0 KKAAHM CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000005948403 552515820 /nfs/dbraw/zinc/51/58/20/552515820.db2.gz NOKITAADRVTPJO-UHFFFAOYSA-N -1 3 507.637 5.902 50 0 KKAAHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006146776 552548598 /nfs/dbraw/zinc/54/85/98/552548598.db2.gz ABZPZZXSHCGVQI-RCZVLFRGSA-N -1 3 529.584 5.263 50 0 KKAAHM COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)[N-]c4nsc(-c5ccccc5)n4)c(N)c32)cc1OC ZINC000006426446 552584155 /nfs/dbraw/zinc/58/41/55/552584155.db2.gz HITQIABFGYXMDR-UHFFFAOYSA-N -1 3 565.680 7.001 50 0 KKAAHM COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(=O)[N-]c4nsc(-c5ccc(Cl)cc5)n4)c(N)c32)cc1 ZINC000006432419 552584368 /nfs/dbraw/zinc/58/43/68/552584368.db2.gz WQKIBNDAARFPIZ-UHFFFAOYSA-N -1 3 598.153 8.262 50 0 KKAAHM COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(=O)[N-]c4nsc(-c5ccccc5)n4)c(N)c32)cc1 ZINC000006432422 552584392 /nfs/dbraw/zinc/58/43/92/552584392.db2.gz JOVWGZVTDRDRPB-UHFFFAOYSA-N -1 3 563.708 7.609 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc4)cc3)cc2)cc1 ZINC000008399680 553001745 /nfs/dbraw/zinc/00/17/45/553001745.db2.gz BWWKUAKRLLWCSM-UHFFFAOYSA-N -1 3 714.822 6.590 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Br)CCCCC2 ZINC000008431569 553023366 /nfs/dbraw/zinc/02/33/66/553023366.db2.gz OMMMMSVJZJITLP-UHFFFAOYSA-N -1 3 613.481 6.999 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000008431697 553023772 /nfs/dbraw/zinc/02/37/72/553023772.db2.gz JNIQLYOWFPWJLM-UHFFFAOYSA-N -1 3 625.423 6.153 50 0 KKAAHM CCOc1ccc(OC)cc1[C@H]1Nc2ccc(Br)cc2C(=O)N1[N-]C(=O)c1ccccc1OCc1ccccc1 ZINC000008432693 553026882 /nfs/dbraw/zinc/02/68/82/553026882.db2.gz BJFNCYRVJHKUKQ-LJAQVGFWSA-N -1 3 602.485 6.347 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000008444144 553049291 /nfs/dbraw/zinc/04/92/91/553049291.db2.gz SZKHMKSSOHCFGQ-LSDHHAIUSA-N -1 3 663.900 6.935 50 0 KKAAHM Cc1cc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)ccc1Br ZINC000008594040 553087141 /nfs/dbraw/zinc/08/71/41/553087141.db2.gz XRIZUUHTKGCYJO-UHFFFAOYSA-N -1 3 550.338 5.305 50 0 aggregator KKAAHM COC(=O)c1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595512 553088936 /nfs/dbraw/zinc/08/89/36/553088936.db2.gz YJUSXTIHESTBMD-QHCPKHFHSA-N -1 3 522.786 6.029 50 0 KKAAHM COC(=O)c1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000008595512 553088938 /nfs/dbraw/zinc/08/89/38/553088938.db2.gz YJUSXTIHESTBMD-QHCPKHFHSA-N -1 3 522.786 6.029 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595716 553089196 /nfs/dbraw/zinc/08/91/96/553089196.db2.gz VXUSDLOKSZMEIH-MUUNZHRXSA-N -1 3 527.577 5.419 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595716 553089199 /nfs/dbraw/zinc/08/91/99/553089199.db2.gz VXUSDLOKSZMEIH-MUUNZHRXSA-N -1 3 527.577 5.419 50 0 KKAAHM COc1ccc(OC)c([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008606337 553098249 /nfs/dbraw/zinc/09/82/49/553098249.db2.gz DPODYPQPTDQRSR-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc(OC)c([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000008606337 553098252 /nfs/dbraw/zinc/09/82/52/553098252.db2.gz DPODYPQPTDQRSR-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM C[C@@H](NC[C@@H](COCc1ccccc1)OC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000008626887 553104559 /nfs/dbraw/zinc/10/45/59/553104559.db2.gz SUUCTKJUWXMWND-DZVDWBIPSA-N -1 3 625.674 5.002 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845397 553165541 /nfs/dbraw/zinc/16/55/41/553165541.db2.gz LGLMKNVHTJNXLD-RUZDIDTESA-N -1 3 510.377 5.857 50 0 KKAAHM CC1(C)[C@@H](N([O-])C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000008926223 553191030 /nfs/dbraw/zinc/19/10/30/553191030.db2.gz ZDSCZPMWZFOZLO-JOCHJYFZSA-N -1 3 510.601 6.114 50 0 KKAAHM COc1cc(CN2C(=O)N(C3CCCCC3)[C@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)cc(OC)c1 ZINC000008926387 553191259 /nfs/dbraw/zinc/19/12/59/553191259.db2.gz KPKJZLCRNAQCPV-XMMPIXPASA-N -1 3 502.656 5.112 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109954 553210039 /nfs/dbraw/zinc/21/00/39/553210039.db2.gz RXRRNGSZPYTQOJ-PAHOUZJPSA-N -1 3 503.385 5.556 50 0 KKAAHM CC[C@@H](Sc1nc2ccccc2s1)C(=O)[N-]C1=NN=C(c2ccc(Br)cc2)CS1 ZINC000009408699 553257204 /nfs/dbraw/zinc/25/72/04/553257204.db2.gz XYIKRTAIYBBDAP-MRXNPFEDSA-N -1 3 505.488 5.553 50 0 KKAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000009559595 553280068 /nfs/dbraw/zinc/28/00/68/553280068.db2.gz NEQLONJDQWWJOX-KRWDZBQOSA-N -1 3 513.866 5.001 50 0 KKAAHM CCOc1ccc([C@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679070 553296076 /nfs/dbraw/zinc/29/60/76/553296076.db2.gz RJAHTVIAGVTSFE-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc([C@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679070 553296077 /nfs/dbraw/zinc/29/60/77/553296077.db2.gz RJAHTVIAGVTSFE-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679443 553296365 /nfs/dbraw/zinc/29/63/65/553296365.db2.gz UUBKIFNNWCKQEV-MUUNZHRXSA-N -1 3 527.577 5.506 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679443 553296367 /nfs/dbraw/zinc/29/63/67/553296367.db2.gz UUBKIFNNWCKQEV-MUUNZHRXSA-N -1 3 527.577 5.506 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000011758004 553341783 /nfs/dbraw/zinc/34/17/83/553341783.db2.gz UYIDYTQRECAGTE-UHFFFAOYSA-N -1 3 565.007 5.502 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(OC(F)F)cc1 ZINC000011859562 553346413 /nfs/dbraw/zinc/34/64/13/553346413.db2.gz NDOMFXDRSADJGA-QHAWAJNXSA-N -1 3 504.411 5.358 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc2C)cc1 ZINC000012311312 553357125 /nfs/dbraw/zinc/35/71/25/553357125.db2.gz PIVREBXFHBHIFP-UHFFFAOYSA-N -1 3 500.576 5.681 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3sc4cc(F)ccc4c3Cl)ccc2C)cc1 ZINC000012311819 553357706 /nfs/dbraw/zinc/35/77/06/553357706.db2.gz GBGCASYLNWCEQL-UHFFFAOYSA-N -1 3 504.992 6.064 50 0 KKAAHM CCOc1ccccc1NC(=O)CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1 ZINC000012312212 553358058 /nfs/dbraw/zinc/35/80/58/553358058.db2.gz SHWHSPKJKVYENT-UHFFFAOYSA-N -1 3 506.531 5.195 50 0 KKAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCC(=C4c5ccc(Cl)cc5CCc5cccnc54)CC3)c2c1 ZINC000012324333 553358323 /nfs/dbraw/zinc/35/83/23/553358323.db2.gz PRCUYTJPBSCSAC-GDLZYMKVSA-N -1 3 514.025 6.047 50 0 KKAAHM CCCCC(=O)N[C@@]([N-]c1sc(-c2ccccc2)c(C)c1C(=O)OCC)(C(=O)OCC)C(F)(F)F ZINC000012419539 553365646 /nfs/dbraw/zinc/36/56/46/553365646.db2.gz ZQRNYMFXXPASNK-HSZRJFAPSA-N -1 3 514.566 5.440 50 0 KKAAHM Cc1ccc(N2C(=O)[C@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000012462296 553367310 /nfs/dbraw/zinc/36/73/10/553367310.db2.gz SGTAIIVFUJOSCB-HWBMXIPRSA-N -1 3 511.803 5.852 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc2c(s1)CCC2 ZINC000012584689 553399636 /nfs/dbraw/zinc/39/96/36/553399636.db2.gz QSRKHRPDOVQIAN-UHFFFAOYSA-N -1 3 516.088 5.934 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 ZINC000013146360 553455306 /nfs/dbraw/zinc/45/53/06/553455306.db2.gz WZQYBHAMNXIHKE-UHFFFAOYSA-N -1 3 502.592 5.275 50 0 KKAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2csc(Nc3[n-]c(=S)nc4ccccc43)n2)CC1 ZINC000013496860 553464313 /nfs/dbraw/zinc/46/43/13/553464313.db2.gz AMDBYMRCWKUTGJ-UHFFFAOYSA-N -1 3 511.076 5.346 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000013787930 553491062 /nfs/dbraw/zinc/49/10/62/553491062.db2.gz RUPCLJMTESUGJN-UBFVSLLYSA-N -1 3 517.354 5.793 50 0 KKAAHM O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014361425 553514544 /nfs/dbraw/zinc/51/45/44/553514544.db2.gz ASAUQLLPRLTLSR-UHFFFAOYSA-N -1 3 519.623 6.258 50 0 KKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)cc(I)c1[O-] ZINC000015945222 553544080 /nfs/dbraw/zinc/54/40/80/553544080.db2.gz VRKKXMNXZIBARC-CWTRNNRKSA-N -1 3 526.440 5.462 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000015999253 553549665 /nfs/dbraw/zinc/54/96/65/553549665.db2.gz JNONEFZBHJQXSE-FQNXFSSYSA-N -1 3 519.000 6.055 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C)c(OC)cc4C)cc3)n2)cc1 ZINC000017010364 553586175 /nfs/dbraw/zinc/58/61/75/553586175.db2.gz GASYWFUBAKJPAS-UHFFFAOYSA-N -1 3 519.627 5.707 50 0 KKAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1 ZINC000017271022 553592086 /nfs/dbraw/zinc/59/20/86/553592086.db2.gz IHLQDNJTVLFCMY-UHFFFAOYSA-N -1 3 517.655 6.560 50 0 KKAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)cc1 ZINC000017271027 553592097 /nfs/dbraw/zinc/59/20/97/553592097.db2.gz AJJSIRHWTBSOPR-UHFFFAOYSA-N -1 3 503.628 6.252 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018068720 553603074 /nfs/dbraw/zinc/60/30/74/553603074.db2.gz LKDPKYSTNRLRGA-NHKHRBQYSA-N -1 3 508.574 5.688 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018152800 553606300 /nfs/dbraw/zinc/60/63/00/553606300.db2.gz YOUZGMQPDKYUSK-NHKHRBQYSA-N -1 3 530.621 5.714 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](C1=Cc2ccccc2OC1)CC(=O)O3 ZINC000079188839 553666993 /nfs/dbraw/zinc/66/69/93/553666993.db2.gz ZOOHCFSWCITCMR-PENNZHNOSA-N -1 3 502.563 5.743 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1ccc(-c2ccccc2)o1)CC(=O)O3 ZINC000079188886 553667056 /nfs/dbraw/zinc/66/70/56/553667056.db2.gz VLXUIGXOVLBJAX-PCLOUJOXSA-N -1 3 514.574 6.575 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC ZINC000079189866 553667623 /nfs/dbraw/zinc/66/76/23/553667623.db2.gz JYLKNBZEDARSHE-XNSKANDESA-N -1 3 508.567 5.332 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc2c(c1)OCCO2)CC(=O)O3 ZINC000079191510 553668441 /nfs/dbraw/zinc/66/84/41/553668441.db2.gz HWYVELPEQJCQHO-NDFCQKEGSA-N -1 3 506.551 5.086 50 0 KKAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020677837 553687751 /nfs/dbraw/zinc/68/77/51/553687751.db2.gz SJVRYQIZJKYBCC-AREMUKBSSA-N -1 3 504.428 5.463 50 0 KKAAHM CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCCC=C5)o2)cc1 ZINC000085877501 553689374 /nfs/dbraw/zinc/68/93/74/553689374.db2.gz HVKYPHHHEFMRSF-VJDVIYSRSA-N -1 3 556.611 6.778 50 0 KKAAHM COC(=O)c1sc(-c2ccc(Cl)cc2)cc1[N-]C(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000095725769 553711084 /nfs/dbraw/zinc/71/10/84/553711084.db2.gz RPFSMXFNRFSQOJ-UHFFFAOYSA-N -1 3 566.509 6.964 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)n3)cc2)cc1 ZINC000097949172 553799890 /nfs/dbraw/zinc/79/98/90/553799890.db2.gz KJXFIYQMPLLXAV-UHFFFAOYSA-N -1 3 655.758 5.805 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097952601 553817037 /nfs/dbraw/zinc/81/70/37/553817037.db2.gz MIDUIQKOYYYSTN-QHAWAJNXSA-N -1 3 517.301 5.519 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000097954386 553822936 /nfs/dbraw/zinc/82/29/36/553822936.db2.gz YOVKUQJTLIWORX-UBFVSLLYSA-N -1 3 523.347 6.444 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000097954679 553824770 /nfs/dbraw/zinc/82/47/70/553824770.db2.gz LMJKUQKVRQKBDU-VJGNERBWSA-N -1 3 542.950 5.749 50 0 KKAAHM Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000029491282 553844894 /nfs/dbraw/zinc/84/48/94/553844894.db2.gz IQUDPRBFHZSVJS-UHFFFAOYSA-N -1 3 686.599 5.645 50 0 KKAAHM CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(I)c1[O-] ZINC000029493063 553846052 /nfs/dbraw/zinc/84/60/52/553846052.db2.gz IYELNKJXYAGCPF-PXNMLYILSA-N -1 3 533.746 5.425 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1C ZINC000033254920 553914184 /nfs/dbraw/zinc/91/41/84/553914184.db2.gz TVEQYNBCUWSNQV-UHFFFAOYSA-N -1 3 503.559 5.205 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1 ZINC000033254929 553914238 /nfs/dbraw/zinc/91/42/38/553914238.db2.gz ZKNRPKJHEHZBLT-UHFFFAOYSA-N -1 3 505.987 5.411 50 0 KKAAHM CC(C)(C)c1cc(Sc2c(Cl)c(Cl)[n-]c(=NNC(=S)Nc3ccc(C(F)(F)F)cc3)c2Cl)cc(C(C)(C)C)c1O ZINC000033354745 553931221 /nfs/dbraw/zinc/93/12/21/553931221.db2.gz IDKBKKSYPNXFEB-UHFFFAOYSA-N -1 3 652.035 9.826 50 0 KKAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000033356111 553939213 /nfs/dbraw/zinc/93/92/13/553939213.db2.gz XGJSXIPZCNUIAA-UHFFFAOYSA-N -1 3 541.411 5.133 50 0 KKAAHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)N1N=C2C(=Cc3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000097978972 553975222 /nfs/dbraw/zinc/97/52/22/553975222.db2.gz NRWDAINRWXNGNS-CDNGWZGJSA-N -1 3 546.674 5.965 50 0 KKAAHM COc1cc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)ccc1OCc1ccccc1Cl ZINC000097981644 553995977 /nfs/dbraw/zinc/99/59/77/553995977.db2.gz PBZWVMWPAHJRIX-ODLFYWEKSA-N -1 3 541.481 8.103 50 0 KKAAHM C[C@H](c1ccccc1)N(Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000034921848 554032006 /nfs/dbraw/zinc/03/20/06/554032006.db2.gz JWBAGJVSGFOEAZ-HXUWFJFHSA-N -1 3 511.663 5.828 50 0 KKAAHM Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)c3ccc(NC(=O)CSc4nnc(C)s4)c(O)c3)cc2[O-])s1 ZINC000097994889 554032637 /nfs/dbraw/zinc/03/26/37/554032637.db2.gz WJDKOYDKBRTXGW-UHFFFAOYSA-N -1 3 602.789 5.205 50 0 KKAAHM COC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)c(C(=O)OC)c1C ZINC000098002714 554054221 /nfs/dbraw/zinc/05/42/21/554054221.db2.gz ICJRBPKRDLDVSP-UHFFFAOYSA-N -1 3 666.226 5.729 50 0 KKAAHM CCOC(=O)c1c([N-][C@](NC(=O)c2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003632 554055466 /nfs/dbraw/zinc/05/54/66/554055466.db2.gz AZDRBTOJKYKDQT-AREMUKBSSA-N -1 3 564.582 5.436 50 0 KKAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000098009615 554069777 /nfs/dbraw/zinc/06/97/77/554069777.db2.gz DFCOFXKAKBCSJQ-UHFFFAOYSA-N -1 3 539.561 5.077 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000035833215 554080140 /nfs/dbraw/zinc/08/01/40/554080140.db2.gz HENPRBOQZDFZSD-CTMYTVLESA-N -1 3 525.608 5.636 50 0 KKAAHM O=C1c2ccc(Oc3cccc(Oc4ccc5c(c4)C(=O)N(c4ccccc4O)C5=O)c3)cc2C(=O)N1c1ccccc1[O-] ZINC000098023312 554120897 /nfs/dbraw/zinc/12/08/97/554120897.db2.gz LGMSPBGYPMEXRT-UHFFFAOYSA-N -1 3 584.540 6.284 50 0 KKAAHM CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)F)cc1[O-] ZINC000098044989 554130064 /nfs/dbraw/zinc/13/00/64/554130064.db2.gz WZRMLSIYQSQNGI-JOCHJYFZSA-N -1 3 554.625 7.402 50 0 KKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000098047884 554157308 /nfs/dbraw/zinc/15/73/08/554157308.db2.gz KHVBGBRPEPQYCS-UHFFFAOYSA-N -1 3 528.030 6.719 50 0 KKAAHM O=S(=O)([N-]c1ccc(I)cc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100008633 554180014 /nfs/dbraw/zinc/18/00/14/554180014.db2.gz XKLGFQZRPWPSLR-UHFFFAOYSA-N -1 3 540.526 5.527 50 0 KKAAHM O=S(=O)([N-]c1ccc(Br)cc1Br)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100008544 554180062 /nfs/dbraw/zinc/18/00/62/554180062.db2.gz MSKIBGPMWDEYRH-UHFFFAOYSA-N -1 3 537.977 5.794 50 0 KKAAHM O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1cc(Br)ccc1Br ZINC000100026040 554183621 /nfs/dbraw/zinc/18/36/21/554183621.db2.gz ADLQHRAWXMRWQT-BJMVGYQFSA-N -1 3 577.070 6.549 50 0 KKAAHM Cc1ccc(-n2c(=O)c3cc(I)ccc3nc2/C=C/c2cc(Br)ccc2[O-])c(C)c1 ZINC000100026141 554183665 /nfs/dbraw/zinc/18/36/65/554183665.db2.gz BUXORPQZOKDHMG-ONNFQVAWSA-N -1 3 573.228 6.246 50 0 KKAAHM CC(C)(C)OC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000036205443 554201492 /nfs/dbraw/zinc/20/14/92/554201492.db2.gz POIZVEQPSUHAAL-INIZCTEOSA-N -1 3 502.036 5.076 50 0 KKAAHM COC(=O)C[C@H](c1ccc(F)c(Br)c1)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000100255916 554264437 /nfs/dbraw/zinc/26/44/37/554264437.db2.gz SQYJXKIAMNSHAS-MRXNPFEDSA-N -1 3 527.795 5.888 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000059103199 554379020 /nfs/dbraw/zinc/37/90/20/554379020.db2.gz HGDSLBSWBOTYSC-SANMLTNESA-N -1 3 546.421 6.164 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000059103199 554379018 /nfs/dbraw/zinc/37/90/18/554379018.db2.gz HGDSLBSWBOTYSC-SANMLTNESA-N -1 3 546.421 6.164 50 0 KKAAHM CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)cc1 ZINC000059620587 554413991 /nfs/dbraw/zinc/41/39/91/554413991.db2.gz WROCBQQPKRXLGE-UHFFFAOYSA-N -1 3 523.412 5.336 50 0 KKAAHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059641277 554416861 /nfs/dbraw/zinc/41/68/61/554416861.db2.gz NAJQYYKGNXEUNV-UHFFFAOYSA-N -1 3 593.727 5.255 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084560 554580323 /nfs/dbraw/zinc/58/03/23/554580323.db2.gz INWYHPSPQCSFKE-UBFVSLLYSA-N -1 3 584.253 7.067 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101094387 554583712 /nfs/dbraw/zinc/58/37/12/554583712.db2.gz JPHYZFCYTPLGCN-PFBJBMPXSA-N -1 3 524.960 5.610 50 0 KKAAHM COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101105030 554639910 /nfs/dbraw/zinc/63/99/10/554639910.db2.gz DPPJHBIBAHCDLM-MUUNZHRXSA-N -1 3 522.564 7.098 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101111011 554641648 /nfs/dbraw/zinc/64/16/48/554641648.db2.gz QUTMYCXWAXWEMC-CYXNTTPDSA-N -1 3 541.431 6.232 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101112099 554641957 /nfs/dbraw/zinc/64/19/57/554641957.db2.gz WESRLCLWSYRRLZ-CYXNTTPDSA-N -1 3 506.986 5.579 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101122849 554644129 /nfs/dbraw/zinc/64/41/29/554644129.db2.gz FOKPNSNZLXFBGO-VSKRKVRLSA-N -1 3 519.768 5.412 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101137842 554652067 /nfs/dbraw/zinc/65/20/67/554652067.db2.gz BFHZBYQUUPPMNC-OCBJUFRSSA-N -1 3 538.575 5.855 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101184018 554668773 /nfs/dbraw/zinc/66/87/73/554668773.db2.gz NGGKXOFXRQGIRE-UUQNIDNHSA-N -1 3 546.648 6.003 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101195705 554672286 /nfs/dbraw/zinc/67/22/86/554672286.db2.gz LNTPTLAVZQVZQM-UUQNIDNHSA-N -1 3 546.026 5.900 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101206286 554676121 /nfs/dbraw/zinc/67/61/21/554676121.db2.gz WOOBXIQFTGUXPE-WFPUBZAHSA-N -1 3 541.607 5.336 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101210558 554679321 /nfs/dbraw/zinc/67/93/21/554679321.db2.gz GXIJCBIMSSQPFG-ANOKCIKSSA-N -1 3 537.040 6.258 50 0 KKAAHM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000101895589 554846932 /nfs/dbraw/zinc/84/69/32/554846932.db2.gz CTAUMZKFMNWYKK-NDEPHWFRSA-N -1 3 584.101 6.686 50 0 KKAAHM Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n([C@@H](C)c3ccccc3)c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000102414173 554924406 /nfs/dbraw/zinc/92/44/06/554924406.db2.gz MNFNIHHTFKUQFN-IBGZPJMESA-N -1 3 615.509 6.943 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102548903 554960518 /nfs/dbraw/zinc/96/05/18/554960518.db2.gz GHMKCJIKFYKHBK-YQQRZDPSSA-N -1 3 576.674 6.012 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102556935 554964928 /nfs/dbraw/zinc/96/49/28/554964928.db2.gz AJACMJRKDCTOFA-NXCFDTQHSA-N -1 3 551.437 5.688 50 0 KKAAHM CC1(C)[C@H](C(=O)[N-][C@H](NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000102619705 554986238 /nfs/dbraw/zinc/98/62/38/554986238.db2.gz ZUQVMGHOBYQBEX-CWONEXCFSA-N -1 3 592.125 7.049 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2Sc2ccccc2C1=O ZINC000102700190 555012635 /nfs/dbraw/zinc/01/26/35/555012635.db2.gz JLKVZVASUDULSN-SFHVURJKSA-N -1 3 534.663 5.606 50 0 KKAAHM O=C1c2ccccc2Sc2cc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)ccc2N1C1CCCC1 ZINC000102700407 555012885 /nfs/dbraw/zinc/01/28/85/555012885.db2.gz PWYQVKNJQLQSMN-UHFFFAOYSA-N -1 3 532.647 5.269 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102742051 555030822 /nfs/dbraw/zinc/03/08/22/555030822.db2.gz FDUKXOPMQCRVOR-IDZRBWSNSA-N -1 3 522.601 6.078 50 0 KKAAHM COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c1 ZINC000102745060 555036632 /nfs/dbraw/zinc/03/66/32/555036632.db2.gz AENSTMZWOKUDJL-VABKMULXSA-N -1 3 605.272 5.033 50 0 KKAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000102745016 555036665 /nfs/dbraw/zinc/03/66/65/555036665.db2.gz ILVCQAXIJWUZNV-FSSWDIPSSA-N -1 3 575.246 5.024 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102748536 555042846 /nfs/dbraw/zinc/04/28/46/555042846.db2.gz SSMXUCCOZRWLOK-IDZRBWSNSA-N -1 3 522.601 6.078 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(Br)c2)cc1 ZINC000102759296 555051166 /nfs/dbraw/zinc/05/11/66/555051166.db2.gz YLUNISOTQNJPEO-KMDXXIMOSA-N -1 3 525.374 5.428 50 0 KKAAHM CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 ZINC000102761053 555052462 /nfs/dbraw/zinc/05/24/62/555052462.db2.gz DTRNDXUFWWURGR-FRXPANAUSA-N -1 3 518.569 5.519 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000102860416 555090568 /nfs/dbraw/zinc/09/05/68/555090568.db2.gz IXCDORJIRFWWHW-JCYRPKCISA-N -1 3 548.945 5.374 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860568 555090644 /nfs/dbraw/zinc/09/06/44/555090644.db2.gz JTYPFJWUCDYBCH-FDFHNCONSA-N -1 3 579.889 6.553 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102861284 555091583 /nfs/dbraw/zinc/09/15/83/555091583.db2.gz BOQFXVGHBOHFIB-KMDXXIMOSA-N -1 3 537.037 5.426 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102866798 555095986 /nfs/dbraw/zinc/09/59/86/555095986.db2.gz IZYUSRPEZVHJJA-MPFGFTFXSA-N -1 3 555.417 7.458 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102870026 555099846 /nfs/dbraw/zinc/09/98/46/555099846.db2.gz LTTLZXONYUPTKE-MFUXGYHDSA-N -1 3 571.485 6.911 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102875611 555105449 /nfs/dbraw/zinc/10/54/49/555105449.db2.gz JSTBIZGEHTYPEI-KWXIBIRDSA-N -1 3 595.460 5.812 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102888282 555121122 /nfs/dbraw/zinc/12/11/22/555121122.db2.gz NUCJNZUNKZCLDI-JBOQNHBVSA-N -1 3 555.030 6.369 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888989 555122724 /nfs/dbraw/zinc/12/27/24/555122724.db2.gz AAAJFWWGPFFRCY-NHKHRBQYSA-N -1 3 603.444 6.227 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102889231 555123187 /nfs/dbraw/zinc/12/31/87/555123187.db2.gz UKRDWDBPEWEPTA-KWXIBIRDSA-N -1 3 561.015 5.159 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893965 555131983 /nfs/dbraw/zinc/13/19/83/555131983.db2.gz DCSMQSUQPJLMAR-FCEKVYKBSA-N -1 3 607.421 6.411 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102897360 555137645 /nfs/dbraw/zinc/13/76/45/555137645.db2.gz FHXQIRVYTMGMNN-NBJHOTSESA-N -1 3 583.446 6.989 50 0 KKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000102912312 555143251 /nfs/dbraw/zinc/14/32/51/555143251.db2.gz WFPOBVUWSZPAPJ-BHIFYINESA-N -1 3 502.876 5.419 50 0 KKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]c1nc2ccccc2nc1SCc1cccc2ccccc21 ZINC000102921926 555147222 /nfs/dbraw/zinc/14/72/22/555147222.db2.gz WOOGDPPURHJIFU-UHFFFAOYSA-N -1 3 547.705 8.724 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1 ZINC000102935305 555162732 /nfs/dbraw/zinc/16/27/32/555162732.db2.gz FMNCZIPQCNQVQT-UHFFFAOYSA-N -1 3 621.716 5.433 50 0 KKAAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O ZINC000102940109 555168482 /nfs/dbraw/zinc/16/84/82/555168482.db2.gz KLUFKUZBRGQOBC-UHFFFAOYSA-N -1 3 622.124 5.371 50 0 KKAAHM CC(C)N(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1)c1ccccc1 ZINC000102962668 555179214 /nfs/dbraw/zinc/17/92/14/555179214.db2.gz YVHNOYNXNNLKCZ-UHFFFAOYSA-N -1 3 618.184 6.922 50 0 KKAAHM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000102970179 555181210 /nfs/dbraw/zinc/18/12/10/555181210.db2.gz HLJHZILCEPXXDU-UHFFFAOYSA-N -1 3 605.182 5.414 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102973981 555183843 /nfs/dbraw/zinc/18/38/43/555183843.db2.gz GUJNKBADFJYEPG-ISJGIBHGSA-N -1 3 584.253 7.067 50 0 KKAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc1C)CCCC2 ZINC000102975370 555185385 /nfs/dbraw/zinc/18/53/85/555185385.db2.gz IIMBHHURKARDTH-SFHVURJKSA-N -1 3 600.715 5.105 50 0 KKAAHM COc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)c3ccccc3n2)cc1 ZINC000102976465 555186579 /nfs/dbraw/zinc/18/65/79/555186579.db2.gz WLRWOICFKJZKPZ-UHFFFAOYSA-N -1 3 544.032 6.617 50 0 KKAAHM Cc1cc(Br)ccc1SCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000102996429 555195984 /nfs/dbraw/zinc/19/59/84/555195984.db2.gz PTJWXPUFJGYZSY-UHFFFAOYSA-N -1 3 594.984 6.543 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(Cl)cc3Cl)ccc2C)cc1 ZINC000103013165 555207689 /nfs/dbraw/zinc/20/76/89/555207689.db2.gz XKEUPVACUHOLBJ-XMMPIXPASA-N -1 3 578.518 5.894 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1cccc(Br)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000103025155 555215450 /nfs/dbraw/zinc/21/54/50/555215450.db2.gz DWQJRWLAKZVBOH-PWRODBHTSA-N -1 3 551.746 6.172 50 0 KKAAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C1(c2ccc(F)cc2)CCCC1 ZINC000103048433 555229916 /nfs/dbraw/zinc/22/99/16/555229916.db2.gz QOUUSKAALSBFGG-UHFFFAOYSA-N -1 3 542.076 6.331 50 0 KKAAHM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cccs1 ZINC000103050001 555232235 /nfs/dbraw/zinc/23/22/35/555232235.db2.gz ZEMHFZGESAXYQW-VWLOTQADSA-N -1 3 625.172 5.019 50 0 KKAAHM CCOc1ccccc1-n1c(S[C@@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nc2ccccc2c1=O ZINC000103083114 555262000 /nfs/dbraw/zinc/26/20/00/555262000.db2.gz IYYQZJASXUZVPV-SFHVURJKSA-N -1 3 552.681 6.603 50 0 KKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000103090478 555269399 /nfs/dbraw/zinc/26/93/99/555269399.db2.gz PWIGFFLUJJMCMF-SANMLTNESA-N -1 3 539.661 7.044 50 0 KKAAHM O=c1nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)[n-]c2scc(-c3ccccc3)c21 ZINC000103133512 555303069 /nfs/dbraw/zinc/30/30/69/555303069.db2.gz PVIGKIZPIUOECX-UHFFFAOYSA-N -1 3 548.615 7.361 50 0 KKAAHM Cc1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2[C@@H](C)CCCC(C)C)c1 ZINC000103141071 555310388 /nfs/dbraw/zinc/31/03/88/555310388.db2.gz CTGRNMIEFVAEDS-QHCPKHFHSA-N -1 3 626.248 7.826 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccccc3Cl)[C@@H](C)C(C)C)c2)cc1 ZINC000103148241 555315121 /nfs/dbraw/zinc/31/51/21/555315121.db2.gz OLOBKURANJWCDS-FQEVSTJZSA-N -1 3 544.117 5.902 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccccc3Cl)[C@H](C)C(C)C)c2)cc1 ZINC000103148239 555315137 /nfs/dbraw/zinc/31/51/37/555315137.db2.gz OLOBKURANJWCDS-HXUWFJFHSA-N -1 3 544.117 5.902 50 0 KKAAHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1cnc(N3CCCCC3)cn1)C2 ZINC000146057035 562838018 /nfs/dbraw/zinc/83/80/18/562838018.db2.gz XDJGNPSZQSWJCV-UHFFFAOYSA-N -1 3 566.641 5.006 50 0 in-vitro KKAAHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(C(=O)c1cnc(N3CCCCC3)cn1)CC2 ZINC000146057035 562838019 /nfs/dbraw/zinc/83/80/19/562838019.db2.gz XDJGNPSZQSWJCV-UHFFFAOYSA-N -1 3 566.641 5.006 50 0 in-vitro KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000106018539 571410434 /nfs/dbraw/zinc/41/04/34/571410434.db2.gz BTHXBGCMBIWQBY-OZNIXHKMSA-N -1 3 563.437 7.093 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106017283 571410526 /nfs/dbraw/zinc/41/05/26/571410526.db2.gz TWMUDXNVQVFUQP-MPFGFTFXSA-N -1 3 552.558 5.413 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000106019259 571410718 /nfs/dbraw/zinc/41/07/18/571410718.db2.gz UJKPEIUPKIPDQJ-MJSOWUPRSA-N -1 3 562.622 6.136 50 0 KKAAHM COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1OCCc1ccccc1 ZINC000108448665 571424353 /nfs/dbraw/zinc/42/43/53/571424353.db2.gz VPDHDHRHCSQBPR-VWLOTQADSA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)cc1 ZINC000108450070 571425138 /nfs/dbraw/zinc/42/51/38/571425138.db2.gz WZBDCJANXMERAQ-AREMUKBSSA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000108451097 571425511 /nfs/dbraw/zinc/42/55/11/571425511.db2.gz OATSUXVBLRNRPR-AREMUKBSSA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM O=C1C[C@H](c2ccc(OCCc3ccc4c(c3)CCO4)cc2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108450995 571425526 /nfs/dbraw/zinc/42/55/26/571425526.db2.gz ZVTIZNGGKBTZOC-HHHXNRCGSA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(C)cc1 ZINC000135653284 571448741 /nfs/dbraw/zinc/44/87/41/571448741.db2.gz LYACREYTWOSDBD-YTFSRNRJSA-N -1 3 525.026 5.555 50 0 KKAAHM COc1ccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)cc1 ZINC000150418633 571486648 /nfs/dbraw/zinc/48/66/48/571486648.db2.gz ZKJRTBQJEYCPHM-UHFFFAOYSA-N -1 3 668.863 8.489 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@H]1C(=C([O-])c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150425962 571490263 /nfs/dbraw/zinc/49/02/63/571490263.db2.gz HFKVUXRQAYZYBS-QHXNCVDGSA-N -1 3 681.586 7.755 50 0 KKAAHM CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2nc3ccsc3c(=O)n2[N-]C(=O)COc2ccccc2Br)cc1 ZINC000150428499 571492111 /nfs/dbraw/zinc/49/21/11/571492111.db2.gz VVCQBDSZQMMMKQ-OAQYLSRUSA-N -1 3 645.557 5.056 50 0 KKAAHM O=C(CSc1ccccn1)Nc1ccc(C(c2ccc(NC(=O)CSc3ccccn3)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1[O-] ZINC000150429806 571492967 /nfs/dbraw/zinc/49/29/67/571492967.db2.gz PEHDRKOABOQZSJ-UHFFFAOYSA-N -1 3 668.641 6.760 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc43)ccc2C)cc1 ZINC000150436557 571496287 /nfs/dbraw/zinc/49/62/87/571496287.db2.gz IDNUQSGJFPCCNQ-UHFFFAOYSA-N -1 3 632.138 6.599 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000150442476 571498907 /nfs/dbraw/zinc/49/89/07/571498907.db2.gz WRTRQZSWPGRWIC-FKBYEOEOSA-N -1 3 654.142 5.787 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000150457934 571505302 /nfs/dbraw/zinc/50/53/02/571505302.db2.gz XVUGLWQIDQDYRD-UHFFFAOYSA-N -1 3 685.677 6.562 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150460725 571506187 /nfs/dbraw/zinc/50/61/87/571506187.db2.gz WAFWNJKJZKCBQE-NHKHRBQYSA-N -1 3 654.344 7.395 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150479116 571511525 /nfs/dbraw/zinc/51/15/25/571511525.db2.gz PVUJLYMGAXUOOO-NRFANRHFSA-N -1 3 676.102 8.524 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(OC)cc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000150479592 571511748 /nfs/dbraw/zinc/51/17/48/571511748.db2.gz CNJSMEWRHNOQFR-UHFFFAOYSA-N -1 3 629.716 5.413 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150644327 571525034 /nfs/dbraw/zinc/52/50/34/571525034.db2.gz QBRYVBBYJJPODK-MPFGFTFXSA-N -1 3 664.350 6.850 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000226831537 572142722 /nfs/dbraw/zinc/14/27/22/572142722.db2.gz DYRVIGRDKPJWKJ-HZFUHODCSA-N -1 3 545.422 6.624 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000226831921 572142767 /nfs/dbraw/zinc/14/27/67/572142767.db2.gz LCFKPPVJFFJQLC-CCDWMCETSA-N -1 3 539.802 6.958 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931818 572145971 /nfs/dbraw/zinc/14/59/71/572145971.db2.gz FGYBWTFVCYLGRF-OYUWMTPXSA-N -1 3 524.960 5.610 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000227016493 572146951 /nfs/dbraw/zinc/14/69/51/572146951.db2.gz INWYHPSPQCSFKE-CCDWMCETSA-N -1 3 584.253 7.067 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227018689 572147640 /nfs/dbraw/zinc/14/76/40/572147640.db2.gz UISUCNIPNWDEOI-LBFZIJHGSA-N -1 3 570.645 6.869 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000227070201 572149035 /nfs/dbraw/zinc/14/90/35/572149035.db2.gz JUWJHVJHPZTPOU-HZFUHODCSA-N -1 3 563.437 7.093 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238549 572152389 /nfs/dbraw/zinc/15/23/89/572152389.db2.gz TXPDZRGFCPSHFU-VGBJTSDXSA-N -1 3 562.647 5.621 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(=O)c3ccccc3)cc1)C[C@H](C(C)(C)C)CC2 ZINC000229882721 572165266 /nfs/dbraw/zinc/16/52/66/572165266.db2.gz IEVKQGODKUBHKW-DZJMTTFWSA-N -1 3 664.780 6.956 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000229892849 572166214 /nfs/dbraw/zinc/16/62/14/572166214.db2.gz BWEQFPMJXCVAOS-UCDUTVGFSA-N -1 3 559.493 6.972 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000229933476 572171213 /nfs/dbraw/zinc/17/12/13/572171213.db2.gz ULDGKVJMNWIMNF-OJDZSJEKSA-N -1 3 576.630 5.659 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000229941009 572172508 /nfs/dbraw/zinc/17/25/08/572172508.db2.gz BOSBRCJAAOCVFI-ISJGIBHGSA-N -1 3 584.253 7.067 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cc(Br)ccc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000229949569 572173120 /nfs/dbraw/zinc/17/31/20/572173120.db2.gz SKWSTHUBXPHTHA-BJCACVBCSA-N -1 3 653.595 6.508 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000229983490 572176633 /nfs/dbraw/zinc/17/66/33/572176633.db2.gz LNTPTLAVZQVZQM-AGKKXDHOSA-N -1 3 546.026 5.900 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000230019932 572178974 /nfs/dbraw/zinc/17/89/74/572178974.db2.gz YBRGIXYXKSSPOO-UPRLRBBYSA-N -1 3 504.542 5.265 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000230028853 572180153 /nfs/dbraw/zinc/18/01/53/572180153.db2.gz OCRCVPBFALTMSO-ZGIBFIJWSA-N -1 3 534.568 5.356 50 0 KKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000230040275 572181019 /nfs/dbraw/zinc/18/10/19/572181019.db2.gz ABSHEGAFHJLYPM-RBZQAINGSA-N -1 3 507.384 5.071 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189201 572185021 /nfs/dbraw/zinc/18/50/21/572185021.db2.gz JIKZPGGKQQGBMI-UODPJZIASA-N -1 3 546.026 5.981 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000238881945 572188470 /nfs/dbraw/zinc/18/84/70/572188470.db2.gz BOQFXVGHBOHFIB-WXFUMESZSA-N -1 3 537.037 5.426 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000238881732 572188519 /nfs/dbraw/zinc/18/85/19/572188519.db2.gz BEHKNDPLVAUERG-WXFUMESZSA-N -1 3 571.482 6.162 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000238950387 572189513 /nfs/dbraw/zinc/18/95/13/572189513.db2.gz XTRNVABMZXBDQI-DNVJHFABSA-N -1 3 557.455 5.771 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(C)cc1 ZINC000238950207 572189680 /nfs/dbraw/zinc/18/96/80/572189680.db2.gz XCFNHJLMJLEOPY-WXFUMESZSA-N -1 3 504.608 5.210 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000239038892 572190494 /nfs/dbraw/zinc/19/04/94/572190494.db2.gz FDCZYOXXXBUMBF-NJDAHSKKSA-N -1 3 531.417 5.509 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000245246436 572219426 /nfs/dbraw/zinc/21/94/26/572219426.db2.gz LRQBUERZYYWJBX-OZNIXHKMSA-N -1 3 575.042 5.467 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309743 572227431 /nfs/dbraw/zinc/22/74/31/572227431.db2.gz FXNTZKVFCSKVPN-GZNUUUAQSA-N -1 3 508.593 5.804 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310114 572228203 /nfs/dbraw/zinc/22/82/03/572228203.db2.gz HWNDGFQPGNFMEN-WPQKMFINSA-N -1 3 531.637 5.698 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000245311127 572228809 /nfs/dbraw/zinc/22/88/09/572228809.db2.gz MQOXZOSTXPFLGX-TUAOVVRQSA-N -1 3 522.651 6.056 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245311128 572228838 /nfs/dbraw/zinc/22/88/38/572228838.db2.gz MQOXZOSTXPFLGX-VWDBNSKXSA-N -1 3 522.651 6.056 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248242488 572256866 /nfs/dbraw/zinc/25/68/66/572256866.db2.gz FNDYDIKFWGWYQF-CPWWYQHDSA-N -1 3 536.628 5.292 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253409649 572287246 /nfs/dbraw/zinc/28/72/46/572287246.db2.gz MDYZDYBXJAKXOK-OSPAZUARSA-N -1 3 705.757 5.248 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411766 572287663 /nfs/dbraw/zinc/28/76/63/572287663.db2.gz PBUXVBGWWDWTBF-FOPBOCKXSA-N -1 3 675.731 5.240 50 0 KKAAHM COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411771 572287734 /nfs/dbraw/zinc/28/77/34/572287734.db2.gz PBUXVBGWWDWTBF-YJNPBZNESA-N -1 3 675.731 5.240 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253487242 572290282 /nfs/dbraw/zinc/29/02/82/572290282.db2.gz HFKVUXRQAYZYBS-RDEHZVQUSA-N -1 3 681.586 7.755 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccc(C)cc3Br)cc2)cc1 ZINC000089610903 1071147995 /nfs/dbraw/zinc/14/79/95/1071147995.db2.gz XESDWEWAGKKWHT-MKMNVTDBSA-N -1 3 501.402 5.219 50 0 KKAAHM O=C1c2ccccc2C(=CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000158646053 1071185063 /nfs/dbraw/zinc/18/50/63/1071185063.db2.gz IFZQWFWUZXASBR-JJKYIXSRSA-N -1 3 674.776 5.831 50 0 KKAAHM CC(C)[C@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000033497074 1071199112 /nfs/dbraw/zinc/19/91/12/1071199112.db2.gz YEWAYWUKYGZYCT-POUWIMNSSA-N -1 3 516.619 5.176 50 0 KKAAHM O=S(=O)([N-]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000606422465 1071276658 /nfs/dbraw/zinc/27/66/58/1071276658.db2.gz NHWFLZRPVQENEH-UHFFFAOYSA-N -1 3 510.805 6.117 50 0 KKAAHM O=C(CCc1ccncc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952863548 1071296991 /nfs/dbraw/zinc/29/69/91/1071296991.db2.gz XAQSNXCLWWROAR-YTTGMZPUSA-N -1 3 549.627 5.199 50 0 KKAAHM CCC(C)(C)C1C/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)C1 ZINC000111141149 1071340933 /nfs/dbraw/zinc/34/09/33/1071340933.db2.gz ZJNOTHDAFXTGTR-MZAUSLISSA-N -1 3 594.340 7.522 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000102759852 193919374 /nfs/dbraw/zinc/91/93/74/193919374.db2.gz HEMZGEPJUBCQCC-PWRODBHTSA-N -1 3 501.739 5.293 50 0 KKAAHM O=C(COc1ccccc1Cl)Nc1ccc(Cc2ccc(O)c(NC(=O)COc3ccccc3Cl)c2)cc1[O-] ZINC000000692584 551527740 /nfs/dbraw/zinc/52/77/40/551527740.db2.gz GNOHMBYJTJAGMI-UHFFFAOYSA-N -1 3 567.425 6.030 50 0 KKAAHM O=S(=O)([N-]Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000000828288 551545753 /nfs/dbraw/zinc/54/57/53/551545753.db2.gz FRFKHQRUTPTTAT-UHFFFAOYSA-N -1 3 565.287 5.365 50 0 KKAAHM Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])o1 ZINC000000892355 551563414 /nfs/dbraw/zinc/56/34/14/551563414.db2.gz HZOHYPCUXXFKGO-UHFFFAOYSA-N -1 3 517.348 5.239 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000001214824 551626227 /nfs/dbraw/zinc/62/62/27/551626227.db2.gz BLDCYMSJAVOYEF-WMLDXEAASA-N -1 3 515.717 5.917 50 0 KKAAHM COc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(CCC2CCCCC2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000001276078 551635833 /nfs/dbraw/zinc/63/58/33/551635833.db2.gz AYXAXSRLKKIALZ-UHFFFAOYSA-N -1 3 518.458 5.039 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001314933 551640346 /nfs/dbraw/zinc/64/03/46/551640346.db2.gz DMRFTMFYUPUYNI-FCEKVYKBSA-N -1 3 554.986 5.619 50 0 KKAAHM COc1cc(-c2nc3ccccc3n2Cc2cc(Br)c(O)c(OC)c2)cc(Br)c1[O-] ZINC000001321963 551641707 /nfs/dbraw/zinc/64/17/07/551641707.db2.gz YCCQGZCMUMDAQC-UHFFFAOYSA-N -1 3 534.204 5.705 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C(=O)OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404657 551661552 /nfs/dbraw/zinc/66/15/52/551661552.db2.gz GXQQGWNGYKOVHQ-RUZDIDTESA-N -1 3 532.394 5.774 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C(=O)OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404657 551661554 /nfs/dbraw/zinc/66/15/54/551661554.db2.gz GXQQGWNGYKOVHQ-RUZDIDTESA-N -1 3 532.394 5.774 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OCC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404639 551661604 /nfs/dbraw/zinc/66/16/04/551661604.db2.gz BNBTWQQPOPBJGV-SANMLTNESA-N -1 3 518.411 6.386 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OCC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404639 551661606 /nfs/dbraw/zinc/66/16/06/551661606.db2.gz BNBTWQQPOPBJGV-SANMLTNESA-N -1 3 518.411 6.386 50 0 KKAAHM Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000001816232 551707702 /nfs/dbraw/zinc/70/77/02/551707702.db2.gz NUTRALGBGCUFER-UHFFFAOYSA-N -1 3 532.669 6.105 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001874280 551721166 /nfs/dbraw/zinc/72/11/66/551721166.db2.gz FPZGGSJOLALZIE-CCDWMCETSA-N -1 3 574.247 7.611 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002082135 551752229 /nfs/dbraw/zinc/75/22/29/551752229.db2.gz YXRQTWDOXXRIPW-GFCCVEGCSA-N -1 3 597.084 7.381 50 0 KKAAHM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(Br)c1[O-] ZINC000002087012 551756570 /nfs/dbraw/zinc/75/65/70/551756570.db2.gz AKXNNOSAEJNRJC-SFHVURJKSA-N -1 3 554.264 5.783 50 0 KKAAHM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(Cl)c1[O-] ZINC000002087088 551756792 /nfs/dbraw/zinc/75/67/92/551756792.db2.gz OJXCKVTZMACADE-SFHVURJKSA-N -1 3 509.813 5.674 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2sc3cc(F)ccc3c2Cl)scc1-c1ccc(OC)c(OC)c1 ZINC000002088383 551757969 /nfs/dbraw/zinc/75/79/69/551757969.db2.gz KSHKKUBCFRIAPV-UHFFFAOYSA-N -1 3 505.976 6.478 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002096969 551761909 /nfs/dbraw/zinc/76/19/09/551761909.db2.gz VFEUILALMUPRPL-VWNXMTODSA-N -1 3 512.591 5.207 50 0 biogenic,in-vitro KKAAHM CCCCCCc1cc2c3c(c(=O)oc2cc1OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1)CCC3 ZINC000002106658 551764387 /nfs/dbraw/zinc/76/43/87/551764387.db2.gz RWMRLGLPXFJJCX-HKBQPEDESA-N -1 3 573.711 6.338 50 0 biogenic KKAAHM COc1ccc(NC(=O)c2sc([N-]C(=O)c3c(C)onc3-c3c(F)cccc3Cl)c(C(=O)OC(C)C)c2C)cc1 ZINC000002115258 551769308 /nfs/dbraw/zinc/76/93/08/551769308.db2.gz JXAKPMZDEJPTDJ-UHFFFAOYSA-N -1 3 586.041 6.891 50 0 KKAAHM O=c1[n-]c(SCc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)nc2ccc(Cl)cc12 ZINC000002190914 551789746 /nfs/dbraw/zinc/78/97/46/551789746.db2.gz DIJBCUAZRQAOCN-UHFFFAOYSA-N -1 3 514.916 5.999 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccc(C)cc1)(C(=O)OC)C(F)(F)F ZINC000002191923 551790273 /nfs/dbraw/zinc/79/02/73/551790273.db2.gz PCQTYUFENCRGMD-RUZDIDTESA-N -1 3 534.556 5.482 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccc(Cl)cc1)(C(=O)OC)C(F)(F)F ZINC000002191924 551790494 /nfs/dbraw/zinc/79/04/94/551790494.db2.gz QTLLJWOULSPZLQ-DEOSSOPVSA-N -1 3 554.974 5.827 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000002238897 551798702 /nfs/dbraw/zinc/79/87/02/551798702.db2.gz HEIXCPSUDITZCJ-NJDAHSKKSA-N -1 3 517.301 5.519 50 0 KKAAHM CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc([O-])c1c2c(-c2ccccc2)nn1-c1ccccc1 ZINC000002268776 552085785 /nfs/dbraw/zinc/08/57/85/552085785.db2.gz FYDNGIPBJYRGHQ-UHFFFAOYSA-N -1 3 501.586 6.886 50 0 KKAAHM CCCc1cc(=O)oc2cc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002335932 552097102 /nfs/dbraw/zinc/09/71/02/552097102.db2.gz PVDWJBAURXIVAL-SANMLTNESA-N -1 3 526.010 5.333 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000002367887 552104390 /nfs/dbraw/zinc/10/43/90/552104390.db2.gz LNFJRUBUMDHGKF-QHAWAJNXSA-N -1 3 528.200 5.263 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000002418088 552115107 /nfs/dbraw/zinc/11/51/07/552115107.db2.gz DLEMHSYCAFTVFC-NJDAHSKKSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000002423502 552116250 /nfs/dbraw/zinc/11/62/50/552116250.db2.gz JNBDVLHASKLWEB-NJDAHSKKSA-N -1 3 518.194 5.807 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000002451518 552123738 /nfs/dbraw/zinc/12/37/38/552123738.db2.gz YTBXJCRIBIBBEH-QHAWAJNXSA-N -1 3 535.291 5.658 50 0 KKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1sc(C(=O)OC(C)C)c(C)c1C(=O)OC(C)C ZINC000002738422 552171091 /nfs/dbraw/zinc/17/10/91/552171091.db2.gz VCEIEDCRVSCLQT-UHFFFAOYSA-N -1 3 539.437 6.709 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc43)cc2)cc1 ZINC000002748160 552174991 /nfs/dbraw/zinc/17/49/91/552174991.db2.gz JQMCKNVWWUEFMW-UHFFFAOYSA-N -1 3 507.615 6.572 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4ccccc4C)nc4ccccc43)cc2)cc1 ZINC000002753148 552176577 /nfs/dbraw/zinc/17/65/77/552176577.db2.gz QWPYGXYGFFKDOF-UHFFFAOYSA-N -1 3 507.615 6.572 50 0 KKAAHM COc1ccccc1NC(=O)c1sc([N-]C(=O)c2c(C)onc2-c2ccccc2)c(C(=O)OC(C)C)c1C ZINC000002761544 552182532 /nfs/dbraw/zinc/18/25/32/552182532.db2.gz URTLRVNYCCLIGB-UHFFFAOYSA-N -1 3 533.606 6.098 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000002807389 552196457 /nfs/dbraw/zinc/19/64/57/552196457.db2.gz URTIKHGCOLURMQ-UHFFFAOYSA-N -1 3 534.947 6.048 50 0 KKAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000002959945 552233454 /nfs/dbraw/zinc/23/34/54/552233454.db2.gz FZAKQMOUQLKEDH-RJGXRXQPSA-N -1 3 573.274 5.578 50 0 KKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000003107712 552288992 /nfs/dbraw/zinc/28/89/92/552288992.db2.gz OZCIMKNKEYNGTJ-UHFFFAOYSA-N -1 3 518.636 8.188 50 0 KKAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)cc1Cl ZINC000003220303 552309737 /nfs/dbraw/zinc/30/97/37/552309737.db2.gz SCTGOQRPANEAEA-UHFFFAOYSA-N -1 3 519.328 6.074 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccccc3N3CCOCC3)c2)cc1 ZINC000003230745 552315280 /nfs/dbraw/zinc/31/52/80/552315280.db2.gz ZOXHFSBNGUFFCV-UHFFFAOYSA-N -1 3 507.656 5.227 50 0 KKAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000003265917 552328578 /nfs/dbraw/zinc/32/85/78/552328578.db2.gz INKGFIHGODVVBM-UHFFFAOYSA-N -1 3 530.462 5.992 50 0 KKAAHM Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc5sc6c(c5c(=O)[n-]4)CCCC6)cc3)sc2c1 ZINC000003291851 552341030 /nfs/dbraw/zinc/34/10/30/552341030.db2.gz PQLODSIEPLMCOD-UHFFFAOYSA-N -1 3 518.689 6.179 50 0 KKAAHM O=S(=O)([N-]c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 ZINC000003339717 552362487 /nfs/dbraw/zinc/36/24/87/552362487.db2.gz FIMRJPFJXHZMAX-UHFFFAOYSA-N -1 3 549.457 6.387 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656025 552404248 /nfs/dbraw/zinc/40/42/48/552404248.db2.gz HRHZENYWDVSLKV-NRFANRHFSA-N -1 3 510.315 5.154 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656172 552405095 /nfs/dbraw/zinc/40/50/95/552405095.db2.gz XEKPSXCUUHHIKR-OAQYLSRUSA-N -1 3 528.305 5.293 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656228 552405288 /nfs/dbraw/zinc/40/52/88/552405288.db2.gz IQYYGAQCOVEAAQ-JOCHJYFZSA-N -1 3 585.248 6.086 50 0 KKAAHM COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)c(C(=O)[N-]c4nsc(-c5ccccc5)n4)sc3n2)cc1 ZINC000006405931 552582475 /nfs/dbraw/zinc/58/24/75/552582475.db2.gz IKCWEZFMRHQLAM-UHFFFAOYSA-N -1 3 565.680 7.001 50 0 KKAAHM O=C1c2[n-]nc(-c3ccc(Br)cc3)c2[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000006446668 552589522 /nfs/dbraw/zinc/58/95/22/552589522.db2.gz UGKFDFZUUCEPMG-QFIPXVFZSA-N -1 3 509.201 6.352 50 0 KKAAHM O=C1c2n[n-]c(-c3ccc(Br)cc3)c2[C@H](c2ccc(Br)cc2)N1c1ccccc1 ZINC000006446668 552589524 /nfs/dbraw/zinc/58/95/24/552589524.db2.gz UGKFDFZUUCEPMG-QFIPXVFZSA-N -1 3 509.201 6.352 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C)C2 ZINC000006599735 552601558 /nfs/dbraw/zinc/60/15/58/552601558.db2.gz YKTVXFABPDDAQC-CYBMUJFWSA-N -1 3 607.452 6.793 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@H](C)C2 ZINC000006599738 552601601 /nfs/dbraw/zinc/60/16/01/552601601.db2.gz GACIRDUNUQTKQL-ZDUSSCGKSA-N -1 3 563.001 6.684 50 0 KKAAHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008384302 552989356 /nfs/dbraw/zinc/98/93/56/552989356.db2.gz QJWXOLMSHQMSEV-UHFFFAOYSA-N -1 3 628.172 5.990 50 0 KKAAHM CC(C)OC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)sc2c1CCCC2 ZINC000008397226 552996401 /nfs/dbraw/zinc/99/64/01/552996401.db2.gz FCGWUNWCBDPBGV-UHFFFAOYSA-N -1 3 613.481 6.997 50 0 KKAAHM COC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Br)c(C(=O)OC)c1C ZINC000008431700 553023757 /nfs/dbraw/zinc/02/37/57/553023757.db2.gz XVJBSBDMHWILKB-UHFFFAOYSA-N -1 3 676.265 6.136 50 0 KKAAHM COc1cc([C@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008433191 553028279 /nfs/dbraw/zinc/02/82/79/553028279.db2.gz IXCDORJIRFWWHW-PLXFJCCSSA-N -1 3 548.945 5.374 50 0 KKAAHM CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1[O-] ZINC000008439032 553035411 /nfs/dbraw/zinc/03/54/11/553035411.db2.gz BWXCDPYKPPCZTK-NVNXTCNLSA-N -1 3 501.729 5.290 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000008444141 553049304 /nfs/dbraw/zinc/04/93/04/553049304.db2.gz SZKHMKSSOHCFGQ-CABCVRRESA-N -1 3 663.900 6.935 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000008455760 553073424 /nfs/dbraw/zinc/07/34/24/553073424.db2.gz MCUFAYKXTPPYSP-UHFFFAOYSA-N -1 3 528.989 6.917 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CCCCC2 ZINC000008456813 553074950 /nfs/dbraw/zinc/07/49/50/553074950.db2.gz NQGFOXKXGKTBHA-UHFFFAOYSA-N -1 3 623.451 6.556 50 0 KKAAHM C[C@@H](NC[C@@H](COCc1ccccc1)OC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000008626888 553104573 /nfs/dbraw/zinc/10/45/73/553104573.db2.gz SUUCTKJUWXMWND-YRPFWFDPSA-N -1 3 625.674 5.002 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000008683804 553112858 /nfs/dbraw/zinc/11/28/58/553112858.db2.gz DWMUVRGDQRFGKT-NRFANRHFSA-N -1 3 548.600 5.331 50 0 aggregator KKAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000008683780 553112921 /nfs/dbraw/zinc/11/29/21/553112921.db2.gz CMAKWWNATDQENM-NRFANRHFSA-N -1 3 530.610 5.192 50 0 aggregator KKAAHM COc1cc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc(OC)c1OC ZINC000008684382 553113398 /nfs/dbraw/zinc/11/33/98/553113398.db2.gz YXHKDGINWSQJBK-SDNWHVSQSA-N -1 3 586.110 5.809 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000009235683 553225415 /nfs/dbraw/zinc/22/54/15/553225415.db2.gz RUPCLJMTESUGJN-DSNGMDLFSA-N -1 3 517.354 5.793 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009243323 553226739 /nfs/dbraw/zinc/22/67/39/553226739.db2.gz VRICVKJQXOAYBY-HSZRJFAPSA-N -1 3 509.791 5.647 50 0 KKAAHM CCOc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009243650 553226806 /nfs/dbraw/zinc/22/68/06/553226806.db2.gz JAZKBTOPMCOZHB-MHZLTWQESA-N -1 3 503.986 5.902 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)ccc1OCCC(C)C ZINC000009293113 553235286 /nfs/dbraw/zinc/23/52/86/553235286.db2.gz HHMQVOSGEZSVPL-SANMLTNESA-N -1 3 514.022 5.105 50 0 KKAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000009490028 553273604 /nfs/dbraw/zinc/27/36/04/553273604.db2.gz YEDWEPCCTNTLQQ-UHFFFAOYSA-N -1 3 500.194 5.697 50 0 KKAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000009490028 553273605 /nfs/dbraw/zinc/27/36/05/553273605.db2.gz YEDWEPCCTNTLQQ-UHFFFAOYSA-N -1 3 500.194 5.697 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679059 553295730 /nfs/dbraw/zinc/29/57/30/553295730.db2.gz XEPXUUHDKYGRGB-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679059 553295731 /nfs/dbraw/zinc/29/57/31/553295731.db2.gz XEPXUUHDKYGRGB-VWLOTQADSA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679187 553296022 /nfs/dbraw/zinc/29/60/22/553296022.db2.gz ZDOQVLWWDOLIAO-RUZDIDTESA-N -1 3 504.384 5.915 50 0 KKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1OC ZINC000009679187 553296023 /nfs/dbraw/zinc/29/60/23/553296023.db2.gz ZDOQVLWWDOLIAO-RUZDIDTESA-N -1 3 504.384 5.915 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679069 553296088 /nfs/dbraw/zinc/29/60/88/553296088.db2.gz RJAHTVIAGVTSFE-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009679069 553296089 /nfs/dbraw/zinc/29/60/89/553296089.db2.gz RJAHTVIAGVTSFE-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM COc1ccc(-c2oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000010013875 553326198 /nfs/dbraw/zinc/32/61/98/553326198.db2.gz RXHPRTFFPRCFFI-UHFFFAOYSA-N -1 3 514.541 6.748 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(F)cccc1F ZINC000011024737 553338416 /nfs/dbraw/zinc/33/84/16/553338416.db2.gz IEPOSHUQRKZKPC-UHFFFAOYSA-N -1 3 523.439 5.173 50 0 KKAAHM CCC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)[n-]c(=O)c32)C1 ZINC000012590471 553400279 /nfs/dbraw/zinc/40/02/79/553400279.db2.gz XARXAHRMESLIJO-GFCCVEGCSA-N -1 3 510.512 6.563 50 0 KKAAHM O=C([N-]n1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012956419 553429782 /nfs/dbraw/zinc/42/97/82/553429782.db2.gz YKJXMAQLHQXNAV-UHFFFAOYSA-N -1 3 575.802 5.505 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000013778714 553490181 /nfs/dbraw/zinc/49/01/81/553490181.db2.gz ODGNBOYPZLPWND-UBFVSLLYSA-N -1 3 505.357 6.305 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000013787728 553490742 /nfs/dbraw/zinc/49/07/42/553490742.db2.gz CPSGHXNMBSAQQG-QHAWAJNXSA-N -1 3 501.739 5.293 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000013787339 553490874 /nfs/dbraw/zinc/49/08/74/553490874.db2.gz YUSDUUYSSWYYRK-DSNGMDLFSA-N -1 3 504.464 5.790 50 0 KKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)cc(I)c1[O-] ZINC000015945218 553543763 /nfs/dbraw/zinc/54/37/63/553543763.db2.gz VRKKXMNXZIBARC-HXPMCKFVSA-N -1 3 526.440 5.462 50 0 KKAAHM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000015980863 553548680 /nfs/dbraw/zinc/54/86/80/553548680.db2.gz JCPPVKPBRAPUSG-HSZRJFAPSA-N -1 3 519.627 5.899 50 0 KKAAHM O=C1CCCCCCCCCCCC([O-])=C1CCCCC1C(=O)CCCCCCCCCCCC1=O ZINC000018099132 553604150 /nfs/dbraw/zinc/60/41/50/553604150.db2.gz DVMLLSBJCUWUSL-UHFFFAOYSA-N -1 3 502.780 8.665 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OCC(C)C ZINC000079189927 553667769 /nfs/dbraw/zinc/66/77/69/553667769.db2.gz IGOAHIPOXJMGRF-MBHRIBRTSA-N -1 3 550.648 6.358 50 0 KKAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000021526163 553710341 /nfs/dbraw/zinc/71/03/41/553710341.db2.gz KKBCBLXKHNDYHK-UHFFFAOYSA-N -1 3 508.953 5.144 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCc1ccccc1 ZINC000096221366 553730729 /nfs/dbraw/zinc/73/07/29/553730729.db2.gz HTMRNKVWUNYOGN-DEOSSOPVSA-N -1 3 520.537 6.194 50 0 biogenic KKAAHM COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CSc2ccc(Br)cc2)cc(=O)c1[O-] ZINC000096335877 553752346 /nfs/dbraw/zinc/75/23/46/553752346.db2.gz GRJWEBYZJQZIJP-INIZCTEOSA-N -1 3 511.340 5.373 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)Nc5c(C)cc(C)cc5C)cc4)cc3)cc2)c(C)c1 ZINC000097940284 553764353 /nfs/dbraw/zinc/76/43/53/553764353.db2.gz XVUFNFFMRRPCHT-UHFFFAOYSA-N -1 3 710.878 7.643 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OCC)cc4)cc3)cc2)cc1 ZINC000097940309 553764613 /nfs/dbraw/zinc/76/46/13/553764613.db2.gz RQHZMCFGMBLXAN-UHFFFAOYSA-N -1 3 680.805 5.833 50 0 KKAAHM CCOC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc1)CCCC2 ZINC000097948214 553792022 /nfs/dbraw/zinc/79/20/22/553792022.db2.gz LSPKMNIJCRFVRI-UHFFFAOYSA-N -1 3 557.763 6.339 50 0 KKAAHM COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000097948490 553794220 /nfs/dbraw/zinc/79/42/20/553794220.db2.gz APEJZEDBIBKGCO-UHFFFAOYSA-N -1 3 574.750 5.080 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Br)sc2c1CCC2 ZINC000097949181 553799935 /nfs/dbraw/zinc/79/99/35/553799935.db2.gz ZKPPGLLDOOFTTG-UHFFFAOYSA-N -1 3 658.294 6.919 50 0 KKAAHM CCCCCOP(=O)(OCCCCC)[C@@]([N-]S(=O)(=O)c1ccc(C)cc1)(C(=O)OCC)C(F)(F)F ZINC000097949791 553803187 /nfs/dbraw/zinc/80/31/87/553803187.db2.gz FTOSSQUZUWWQDE-NRFANRHFSA-N -1 3 545.557 5.702 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000097953098 553819228 /nfs/dbraw/zinc/81/92/28/553819228.db2.gz BVKLXVDDFCVWMA-DNVJHFABSA-N -1 3 524.791 6.246 50 0 KKAAHM [O-]c1cc2ccccc2cc1-c1nc2c3c(ncn2n1)n(Cc1ccccc1)c(-c1ccccc1)c3-c1ccccc1 ZINC000097953920 553820064 /nfs/dbraw/zinc/82/00/64/553820064.db2.gz GXQUDGXJEGZSLQ-UHFFFAOYSA-N -1 3 543.630 7.987 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000097954632 553824434 /nfs/dbraw/zinc/82/44/34/553824434.db2.gz LNFJRUBUMDHGKF-NJDAHSKKSA-N -1 3 528.200 5.263 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1 ZINC000097957493 553846428 /nfs/dbraw/zinc/84/64/28/553846428.db2.gz IWPJGZCIEIUFFL-DEOSSOPVSA-N -1 3 554.701 5.978 50 0 KKAAHM O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[n-]1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032731765 553874289 /nfs/dbraw/zinc/87/42/89/553874289.db2.gz SRUVUKBNTDYDBZ-UHFFFAOYSA-N -1 3 514.529 5.025 50 0 KKAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097961686 553880004 /nfs/dbraw/zinc/88/00/04/553880004.db2.gz VPXYYVFTCWEXFU-UHFFFAOYSA-N -1 3 525.336 5.986 50 0 KKAAHM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)cn3)n2)cc1 ZINC000032974762 553883788 /nfs/dbraw/zinc/88/37/88/553883788.db2.gz OTLDUMPTSUHWIZ-UHFFFAOYSA-N -1 3 527.650 6.055 50 0 KKAAHM COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(CC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)n2)cc1OC ZINC000097965257 553904142 /nfs/dbraw/zinc/90/41/42/553904142.db2.gz INRMEIMSEUNRPQ-FOWTUZBSSA-N -1 3 597.096 7.321 50 0 KKAAHM CCN1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000033355890 553937995 /nfs/dbraw/zinc/93/79/95/553937995.db2.gz PRDRZCIENBRTSG-XMMPIXPASA-N -1 3 534.663 5.544 50 0 KKAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000033356109 553939315 /nfs/dbraw/zinc/93/93/15/553939315.db2.gz ZGHHDFDLVQHJDD-UHFFFAOYSA-N -1 3 559.857 5.906 50 0 KKAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[C@H](c2ccc(F)cc2)C1 ZINC000097971430 553962271 /nfs/dbraw/zinc/96/22/71/553962271.db2.gz VTNSVSIUJJAZTJ-NDEPHWFRSA-N -1 3 572.065 6.817 50 0 KKAAHM Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000097980530 553989583 /nfs/dbraw/zinc/98/95/83/553989583.db2.gz WHURFCGZKRYKGZ-DIBXZPPDSA-N -1 3 586.113 7.213 50 0 KKAAHM CCOc1ccc(NC(=S)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000097981324 553993284 /nfs/dbraw/zinc/99/32/84/553993284.db2.gz SJYXVLSPYUWSSH-UHFFFAOYSA-N -1 3 581.547 5.838 50 0 KKAAHM CC(C)(C)c1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1 ZINC000097990871 554029729 /nfs/dbraw/zinc/02/97/29/554029729.db2.gz HCLWYFGJTWXNPI-UHFFFAOYSA-N -1 3 527.649 5.614 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc4ccccc4c3)co2)s1)c1cccs1 ZINC000097990894 554029773 /nfs/dbraw/zinc/02/97/73/554029773.db2.gz PZYDBIXMWJVMIP-UHFFFAOYSA-N -1 3 521.601 5.470 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3Cl)co2)s1)c1cccs1 ZINC000097990885 554029822 /nfs/dbraw/zinc/02/98/22/554029822.db2.gz XXPSSFZXZABVGN-UHFFFAOYSA-N -1 3 540.431 5.623 50 0 KKAAHM CCOC(=O)c1c([N-][C@@](NC(=O)c2ccco2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003622 554055358 /nfs/dbraw/zinc/05/53/58/554055358.db2.gz FUILKRSIJMRNCN-QHCPKHFHSA-N -1 3 524.517 5.021 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1cccc(Br)c1)[C@H]2c1ccc(Cl)cc1 ZINC000098008444 554067620 /nfs/dbraw/zinc/06/76/20/554067620.db2.gz JBGPXVAJRGZCSL-QHAWAJNXSA-N -1 3 562.645 5.916 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843301 554082184 /nfs/dbraw/zinc/08/21/84/554082184.db2.gz WTVFNLGSSLDTBR-NBJHOTSESA-N -1 3 514.556 5.682 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccco3)C(=O)CC(C)(C)C)c2)cc1 ZINC000035945527 554102664 /nfs/dbraw/zinc/10/26/64/554102664.db2.gz BFWUDDJZNKNUAM-UHFFFAOYSA-N -1 3 513.660 5.120 50 0 KKAAHM CCC(CC)C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)[C@H](C)C(C)C ZINC000035946416 554103224 /nfs/dbraw/zinc/10/32/24/554103224.db2.gz NFQLBQFPIHIYLX-HXUWFJFHSA-N -1 3 503.709 5.371 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)c2)cc1 ZINC000098020171 554117201 /nfs/dbraw/zinc/11/72/01/554117201.db2.gz UIGIDNHREUQQMW-UHFFFAOYSA-N -1 3 537.613 5.137 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)c2)cc1 ZINC000098020205 554117434 /nfs/dbraw/zinc/11/74/34/554117434.db2.gz SJMORBJFEXEDLP-UHFFFAOYSA-N -1 3 564.107 6.058 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000098046743 554143102 /nfs/dbraw/zinc/14/31/02/554143102.db2.gz LNWVKEPGKRKNCP-OAQYLSRUSA-N -1 3 544.760 5.808 50 0 KKAAHM O=S(=O)([N-]c1ccc(I)cc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100008315 554179526 /nfs/dbraw/zinc/17/95/26/554179526.db2.gz FXXUEFLILZAYCD-UHFFFAOYSA-N -1 3 524.071 5.012 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(Cc4ccco4)C[C@H](O)COCc4ccccc4)nc(=O)c23)cc1C ZINC000036205234 554201203 /nfs/dbraw/zinc/20/12/03/554201203.db2.gz HKGPJQAEXNJCHU-DEOSSOPVSA-N -1 3 529.662 5.441 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(CC(C)C)C[C@@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207567 554202584 /nfs/dbraw/zinc/20/25/84/554202584.db2.gz AROOQDWVQRQWCT-HSZRJFAPSA-N -1 3 505.684 5.475 50 0 KKAAHM COc1ccc(CCNC(=O)[N-]C(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1OC ZINC000100229037 554254427 /nfs/dbraw/zinc/25/44/27/554254427.db2.gz OFHSWDBXIUEKAF-UHFFFAOYSA-N -1 3 562.294 5.103 50 0 KKAAHM Cc1ccc(C(NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100238961 554259709 /nfs/dbraw/zinc/25/97/09/554259709.db2.gz RRYSGISHZIBOJC-DIPNUNPCSA-N -1 3 610.754 7.649 50 0 KKAAHM COC(=O)C[C@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000100255933 554264285 /nfs/dbraw/zinc/26/42/85/554264285.db2.gz QYVKDMDOHYQIET-GOSISDBHSA-N -1 3 565.438 5.121 50 0 KKAAHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146204 554269598 /nfs/dbraw/zinc/26/95/98/554269598.db2.gz ABZPZZXSHCGVQI-RDGATRHJSA-N -1 3 529.584 5.263 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]C(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000046086926 554320577 /nfs/dbraw/zinc/32/05/77/554320577.db2.gz DINYYNMDLFMOIV-UHFFFAOYSA-N -1 3 512.971 6.170 50 0 KKAAHM COc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000059102785 554378401 /nfs/dbraw/zinc/37/84/01/554378401.db2.gz VGXQCAOSXGWRAE-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000059102785 554378404 /nfs/dbraw/zinc/37/84/04/554378404.db2.gz VGXQCAOSXGWRAE-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000059102781 554378488 /nfs/dbraw/zinc/37/84/88/554378488.db2.gz VIDHHCCCHMKVIM-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000059102781 554378492 /nfs/dbraw/zinc/37/84/92/554378492.db2.gz VIDHHCCCHMKVIM-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc(F)c(F)c1F ZINC000059617226 554413556 /nfs/dbraw/zinc/41/35/56/554413556.db2.gz MKYNKAQEJSABPW-UHFFFAOYSA-N -1 3 535.345 5.551 50 0 KKAAHM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)cc2)cc1 ZINC000059627112 554415649 /nfs/dbraw/zinc/41/56/49/554415649.db2.gz GVNNZBCRWGUSKH-UHFFFAOYSA-N -1 3 579.700 5.190 50 0 KKAAHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c2cccc(Cl)c2C)cc1 ZINC000059641246 554416799 /nfs/dbraw/zinc/41/67/99/554416799.db2.gz BZTOYSIFWMPVTI-UHFFFAOYSA-N -1 3 612.173 6.208 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(F)cc2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000100596621 554430101 /nfs/dbraw/zinc/43/01/01/554430101.db2.gz FYWJWWQPWRZLQL-LSDHHAIUSA-N -1 3 602.994 6.312 50 0 KKAAHM Cc1ccc(C(NCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100622437 554434349 /nfs/dbraw/zinc/43/43/49/554434349.db2.gz RXKBBKLPMHPIKD-PSXMRANNSA-N -1 3 596.727 7.259 50 0 KKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000060158237 554502531 /nfs/dbraw/zinc/50/25/31/554502531.db2.gz BLAVNFTWYXXFGN-UHFFFAOYSA-N -1 3 541.654 5.668 50 0 KKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(Oc5ccccc5)cc4)cc3)n2)cc1 ZINC000100957608 554540451 /nfs/dbraw/zinc/54/04/51/554540451.db2.gz YKGGWNJXIWOXCD-UHFFFAOYSA-N -1 3 537.645 7.174 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084569 554580223 /nfs/dbraw/zinc/58/02/23/554580223.db2.gz JKEBFQKITFQNHM-SSBOKUKZSA-N -1 3 565.423 6.913 50 0 KKAAHM COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1 ZINC000101111671 554641866 /nfs/dbraw/zinc/64/18/66/554641866.db2.gz IOBMUCFJXRWKMV-MUUNZHRXSA-N -1 3 522.564 7.098 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101135323 554651121 /nfs/dbraw/zinc/65/11/21/554651121.db2.gz JMXJJWRHEJZENI-CYXNTTPDSA-N -1 3 506.986 5.579 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101136990 554651764 /nfs/dbraw/zinc/65/17/64/554651764.db2.gz PFQCQWMNQSYIRF-CYXNTTPDSA-N -1 3 506.986 5.579 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101139068 554652352 /nfs/dbraw/zinc/65/23/52/554652352.db2.gz FYUFHMAAIMMXGC-OLUZHXLYSA-N -1 3 540.575 6.110 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101178404 554665581 /nfs/dbraw/zinc/66/55/81/554665581.db2.gz OATLEPQUFIVYPC-VSKRKVRLSA-N -1 3 513.775 5.162 50 0 KKAAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000101190810 554670564 /nfs/dbraw/zinc/67/05/64/554670564.db2.gz JIKZPGGKQQGBMI-UUQNIDNHSA-N -1 3 546.026 5.981 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101209417 554678283 /nfs/dbraw/zinc/67/82/83/554678283.db2.gz WYUHGIYAMHANNI-VSKRKVRLSA-N -1 3 513.775 5.162 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101234536 554690033 /nfs/dbraw/zinc/69/00/33/554690033.db2.gz VOGICXLSCLNYCX-VXNXHJTFSA-N -1 3 507.384 5.126 50 0 KKAAHM CCc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344590 554736857 /nfs/dbraw/zinc/73/68/57/554736857.db2.gz VFGGWGKHJIUZSF-HSZRJFAPSA-N -1 3 542.711 7.060 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101669651 554823029 /nfs/dbraw/zinc/82/30/29/554823029.db2.gz SHTPDBKUWALGMG-VJGNERBWSA-N -1 3 565.464 6.078 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672487 554826133 /nfs/dbraw/zinc/82/61/33/554826133.db2.gz HXMUMYVNZGBUIT-NHKHRBQYSA-N -1 3 585.454 6.088 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccc(Cl)cc1Cl ZINC000102085288 554876412 /nfs/dbraw/zinc/87/64/12/554876412.db2.gz RGMSCIUEXKEGHY-FDFHNCONSA-N -1 3 545.444 5.818 50 0 KKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1 ZINC000102278633 554906559 /nfs/dbraw/zinc/90/65/59/554906559.db2.gz SVCJOMHBRGFDRC-UHFFFAOYSA-N -1 3 531.613 5.886 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000102727320 555022328 /nfs/dbraw/zinc/02/23/28/555022328.db2.gz XECHRCZXJANQFM-WXFUMESZSA-N -1 3 504.373 5.901 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000102732518 555024081 /nfs/dbraw/zinc/02/40/81/555024081.db2.gz HZSICYNQWBCOCM-KKUQBAQOSA-N -1 3 513.981 5.728 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102743335 555033821 /nfs/dbraw/zinc/03/38/21/555033821.db2.gz QUTMYCXWAXWEMC-TWJOJJKGSA-N -1 3 541.431 6.232 50 0 KKAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000102744990 555036439 /nfs/dbraw/zinc/03/64/39/555036439.db2.gz UPXBEVAYFJAZCX-FSSWDIPSSA-N -1 3 559.247 5.324 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102750799 555044266 /nfs/dbraw/zinc/04/42/66/555044266.db2.gz PFQCQWMNQSYIRF-TWJOJJKGSA-N -1 3 506.986 5.579 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102753384 555045504 /nfs/dbraw/zinc/04/55/04/555045504.db2.gz FGOMSAZEUOUEFS-ZONZVBGPSA-N -1 3 504.558 5.454 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000102757350 555050043 /nfs/dbraw/zinc/05/00/43/555050043.db2.gz KMBZLXQMZZLFQE-CCDWMCETSA-N -1 3 533.353 5.899 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000102758492 555050604 /nfs/dbraw/zinc/05/06/04/555050604.db2.gz VPGWVCQZJPOUKZ-KKUQBAQOSA-N -1 3 529.390 6.069 50 0 KKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102762103 555053027 /nfs/dbraw/zinc/05/30/27/555053027.db2.gz ABSHEGAFHJLYPM-KMDXXIMOSA-N -1 3 507.384 5.071 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccccc1)CCCC2 ZINC000102863182 555092842 /nfs/dbraw/zinc/09/28/42/555092842.db2.gz QFYQOZHFIRBPAQ-CCDWMCETSA-N -1 3 516.619 5.163 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102883931 555112655 /nfs/dbraw/zinc/11/26/55/555112655.db2.gz ALJBADOISWIGCG-NXCFDTQHSA-N -1 3 598.437 5.530 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102884972 555114847 /nfs/dbraw/zinc/11/48/47/555114847.db2.gz FUWAYZYFEKSGHJ-JBOQNHBVSA-N -1 3 589.475 7.022 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000102890577 555125832 /nfs/dbraw/zinc/12/58/32/555125832.db2.gz FSTVWFOEGZOODZ-CKXMCULTSA-N -1 3 551.067 6.566 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102894553 555132636 /nfs/dbraw/zinc/13/26/36/555132636.db2.gz ULZKVTIAJPOSSB-JBOQNHBVSA-N -1 3 599.481 6.478 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(NC=C3c4ccccc4C(=O)N(c4ccc(C)cc4C)C3=O)c2)cc1 ZINC000102927453 555152202 /nfs/dbraw/zinc/15/22/02/555152202.db2.gz VIDXDRMEWWSGTN-TURZUDJPSA-N -1 3 553.640 5.753 50 0 KKAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000102933885 555161036 /nfs/dbraw/zinc/16/10/36/555161036.db2.gz WSTSIIUEYGWLIS-RTBURBONSA-N -1 3 592.139 5.068 50 0 KKAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000102938483 555166943 /nfs/dbraw/zinc/16/69/43/555166943.db2.gz BGKPGYKWCZPFLP-UHFFFAOYSA-N -1 3 554.814 6.802 50 0 KKAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000102959445 555174952 /nfs/dbraw/zinc/17/49/52/555174952.db2.gz HXIRTLAUDUXTCD-UHFFFAOYSA-N -1 3 552.018 5.554 50 0 KKAAHM COc1cc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc(OC)c1OC ZINC000102968731 555180943 /nfs/dbraw/zinc/18/09/43/555180943.db2.gz XMXDWLBGGFGIMU-UHFFFAOYSA-N -1 3 546.045 5.019 50 0 KKAAHM C[C@@H]1CN(Cn2nc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n(-c3ccccc3)c2=S)C[C@H](C)O1 ZINC000102992130 555192950 /nfs/dbraw/zinc/19/29/50/555192950.db2.gz QGEZEXODYOFDFM-BGYRXZFFSA-N -1 3 570.140 5.591 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)c1ccccc1C(F)(F)F ZINC000103043472 555227043 /nfs/dbraw/zinc/22/70/43/555227043.db2.gz PMLTYMHWARIULP-UHFFFAOYSA-N -1 3 574.408 5.902 50 0 KKAAHM O=C(CCOc1ccccc1F)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000103043468 555227047 /nfs/dbraw/zinc/22/70/47/555227047.db2.gz SPYCKVMEUSZROW-UHFFFAOYSA-N -1 3 568.454 5.178 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)c1ccccc1Br ZINC000103043477 555227064 /nfs/dbraw/zinc/22/70/64/555227064.db2.gz UHKMNMWSLXVDOL-UHFFFAOYSA-N -1 3 585.307 5.646 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cncc(Br)c1 ZINC000103049978 555232279 /nfs/dbraw/zinc/23/22/79/555232279.db2.gz HCVJNWVSKQFZSQ-UHFFFAOYSA-N -1 3 549.878 5.541 50 0 KKAAHM CCOc1ccccc1-n1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nc2ccccc2c1=O ZINC000103083125 555262042 /nfs/dbraw/zinc/26/20/42/555262042.db2.gz OBGXGQSMSNRVRO-UHFFFAOYSA-N -1 3 538.654 6.042 50 0 KKAAHM CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1 ZINC000103124815 555292797 /nfs/dbraw/zinc/29/27/97/555292797.db2.gz DTZHGWXPFUGCHL-UHFFFAOYSA-N -1 3 612.221 6.621 50 0 KKAAHM CN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1)C1CCCCC1 ZINC000103124789 555292806 /nfs/dbraw/zinc/29/28/06/555292806.db2.gz DRXDVZMVXCJXRK-UHFFFAOYSA-N -1 3 596.178 6.272 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000103141063 555310375 /nfs/dbraw/zinc/31/03/75/555310375.db2.gz PEFWKWNFAZKLIY-NRFANRHFSA-N -1 3 630.211 7.657 50 0 KKAAHM Cc1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2[C@H](C)CCCC(C)C)c1 ZINC000103141073 555310478 /nfs/dbraw/zinc/31/04/78/555310478.db2.gz CTGRNMIEFVAEDS-HSZRJFAPSA-N -1 3 626.248 7.826 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000104922844 571388049 /nfs/dbraw/zinc/38/80/49/571388049.db2.gz ZQXRWYCFXVLARW-UDWIEESQSA-N -1 3 527.396 5.382 50 0 KKAAHM O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791445 571408620 /nfs/dbraw/zinc/40/86/20/571408620.db2.gz MAIWFRLTLAWYSJ-NJDAHSKKSA-N -1 3 572.857 5.910 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000105795277 571408684 /nfs/dbraw/zinc/40/86/84/571408684.db2.gz CQUVIFAURCHYJI-JFHPUIQFSA-N -1 3 578.621 5.754 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000105796677 571408950 /nfs/dbraw/zinc/40/89/50/571408950.db2.gz ZDHMENHNRNTZHL-GMQQYTKMSA-N -1 3 561.015 5.159 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000106018051 571410494 /nfs/dbraw/zinc/41/04/94/571410494.db2.gz OYNRONYGRHGLMX-IDZRBWSNSA-N -1 3 584.650 5.294 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106018018 571410518 /nfs/dbraw/zinc/41/05/18/571410518.db2.gz NGPGDNUELGEEOY-UNMGZEBXSA-N -1 3 550.655 5.601 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000106017173 571410589 /nfs/dbraw/zinc/41/05/89/571410589.db2.gz ALJBADOISWIGCG-TWJOJJKGSA-N -1 3 598.437 5.530 50 0 KKAAHM COc1cccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108447763 571423975 /nfs/dbraw/zinc/42/39/75/571423975.db2.gz DRZFQRJUWTWWDU-AREMUKBSSA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM O=C1C[C@@H](c2cccc(OCCc3ccc4c(c3)CCO4)c2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108450002 571425030 /nfs/dbraw/zinc/42/50/30/571425030.db2.gz SAAUMNQXFJKAPQ-MHZLTWQESA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)ccc2OC)cc1 ZINC000108450897 571425501 /nfs/dbraw/zinc/42/55/01/571425501.db2.gz XQLFIYOKGUOCEN-AREMUKBSSA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000135638113 571448669 /nfs/dbraw/zinc/44/86/69/571448669.db2.gz ZUFWWOABVIHYDA-UHFFFAOYSA-N -1 3 588.082 5.498 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000137490615 571450366 /nfs/dbraw/zinc/45/03/66/571450366.db2.gz OATLEPQUFIVYPC-BHDDXSALSA-N -1 3 513.775 5.162 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)F)cc1 ZINC000138672343 571451821 /nfs/dbraw/zinc/45/18/21/571451821.db2.gz NDOMFXDRSADJGA-PWRODBHTSA-N -1 3 504.411 5.358 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000143606955 571456313 /nfs/dbraw/zinc/45/63/13/571456313.db2.gz QVOCJQGIFZXWSY-FRXPANAUSA-N -1 3 522.601 6.078 50 0 KKAAHM COc1cccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)c1 ZINC000150407784 571480214 /nfs/dbraw/zinc/48/02/14/571480214.db2.gz XORPWFUTCPDIGA-UHFFFAOYSA-N -1 3 682.890 8.879 50 0 KKAAHM COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000150419775 571487071 /nfs/dbraw/zinc/48/70/71/571487071.db2.gz VBDUQOONRHFJQB-VWLOTQADSA-N -1 3 633.503 5.489 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@H]1C(=C([O-])c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150425324 571489716 /nfs/dbraw/zinc/48/97/16/571489716.db2.gz LCKSGIXFRYZEAE-UKVDXBKXSA-N -1 3 637.135 7.646 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@H]1C(=C([O-])c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150425325 571489741 /nfs/dbraw/zinc/48/97/41/571489741.db2.gz LCKSGIXFRYZEAE-QHXNCVDGSA-N -1 3 637.135 7.646 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000150439667 571497458 /nfs/dbraw/zinc/49/74/58/571497458.db2.gz SBMIHBIIFRLQPI-UHFFFAOYSA-N -1 3 638.837 8.480 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000150442464 571499006 /nfs/dbraw/zinc/49/90/06/571499006.db2.gz WRTRQZSWPGRWIC-FSSWDIPSSA-N -1 3 654.142 5.787 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150449361 571502033 /nfs/dbraw/zinc/50/20/33/571502033.db2.gz GBXDTGYVBJZWSM-UHFFFAOYSA-N -1 3 652.864 8.870 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000150483487 571514153 /nfs/dbraw/zinc/51/41/53/571514153.db2.gz CMAITFDSRGYTQH-UHFFFAOYSA-N -1 3 631.707 5.852 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490546 571517229 /nfs/dbraw/zinc/51/72/29/571517229.db2.gz POVMAPCTYNUMTA-NRFANRHFSA-N -1 3 646.666 8.171 50 0 KKAAHM COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1OC ZINC000150664105 571528429 /nfs/dbraw/zinc/52/84/29/571528429.db2.gz DSPFMEDEGSWMLD-BHIFYINESA-N -1 3 635.298 5.042 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(OC)cc1OC)CCCC2 ZINC000170620720 571562665 /nfs/dbraw/zinc/56/26/65/571562665.db2.gz RFRBKAHNUSAJDB-CCDWMCETSA-N -1 3 583.062 5.135 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000226831797 572142479 /nfs/dbraw/zinc/14/24/79/572142479.db2.gz MIDUIQKOYYYSTN-PCCBWWKXSA-N -1 3 517.301 5.519 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226830313 572142631 /nfs/dbraw/zinc/14/26/31/572142631.db2.gz AWTMRMZOPKALKI-ZGIBFIJWSA-N -1 3 534.568 5.274 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226826887 572142742 /nfs/dbraw/zinc/14/27/42/572142742.db2.gz AEFDWUVQUGACEF-ZGIBFIJWSA-N -1 3 534.568 5.274 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000226823259 572142946 /nfs/dbraw/zinc/14/29/46/572142946.db2.gz PYKBDSGRJSXQIY-BHDDXSALSA-N -1 3 513.775 5.162 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000227021418 572147239 /nfs/dbraw/zinc/14/72/39/572147239.db2.gz YPNBMVQWNKQRHU-RWSKJCERSA-N -1 3 596.611 5.893 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000227028910 572148245 /nfs/dbraw/zinc/14/82/45/572148245.db2.gz GUJNKBADFJYEPG-CCDWMCETSA-N -1 3 584.253 7.067 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000227068388 572148791 /nfs/dbraw/zinc/14/87/91/572148791.db2.gz HPNZLCQQRNYUOT-YTCPBCGMSA-N -1 3 555.417 7.458 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227085476 572149581 /nfs/dbraw/zinc/14/95/81/572149581.db2.gz OEULSDVNRAXMCN-HZFUHODCSA-N -1 3 575.042 5.467 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227229912 572150893 /nfs/dbraw/zinc/15/08/93/572150893.db2.gz TZUNLFJDWCLZIL-FRXPANAUSA-N -1 3 599.481 6.396 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227229567 572151087 /nfs/dbraw/zinc/15/10/87/572151087.db2.gz DYHPUZLBYYJFMS-UPRLRBBYSA-N -1 3 646.437 5.570 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227234212 572151709 /nfs/dbraw/zinc/15/17/09/572151709.db2.gz UKRDWDBPEWEPTA-GMQQYTKMSA-N -1 3 561.015 5.159 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227233893 572151858 /nfs/dbraw/zinc/15/18/58/572151858.db2.gz AAAJFWWGPFFRCY-ZGIBFIJWSA-N -1 3 603.444 6.227 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227292848 572153613 /nfs/dbraw/zinc/15/36/13/572153613.db2.gz OIRWBXMOGKGXBN-UPRLRBBYSA-N -1 3 599.437 5.728 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229883966 572165252 /nfs/dbraw/zinc/16/52/52/572165252.db2.gz WFEJDWMJQSCMGU-OYUWMTPXSA-N -1 3 605.466 5.268 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000229894635 572166183 /nfs/dbraw/zinc/16/61/83/572166183.db2.gz FPZGGSJOLALZIE-ISJGIBHGSA-N -1 3 574.247 7.611 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229911070 572168484 /nfs/dbraw/zinc/16/84/84/572168484.db2.gz JLXABJXTIHIMBM-AGKKXDHOSA-N -1 3 565.094 6.956 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000229944625 572172519 /nfs/dbraw/zinc/17/25/19/572172519.db2.gz DLRWMULHGRLADS-ISJGIBHGSA-N -1 3 594.259 6.523 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000229968740 572175399 /nfs/dbraw/zinc/17/53/99/572175399.db2.gz NYWSEYZHPZROSX-YTFSRNRJSA-N -1 3 591.900 6.425 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000229969408 572175512 /nfs/dbraw/zinc/17/55/12/572175512.db2.gz JKBGJHNTTIDYDC-RBZQAINGSA-N -1 3 571.482 6.080 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000229976461 572176125 /nfs/dbraw/zinc/17/61/25/572176125.db2.gz MIDUIQKOYYYSTN-PWRODBHTSA-N -1 3 517.301 5.519 50 0 KKAAHM Cc1ccc2c(c1)[C@]1(C(=O)N2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230020022 572179190 /nfs/dbraw/zinc/17/91/90/572179190.db2.gz YCCPIQFTOOLLBA-NCZAXEGCSA-N -1 3 532.427 5.316 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000230189661 572185113 /nfs/dbraw/zinc/18/51/13/572185113.db2.gz AMHLAVZLNYUKGP-XVOBZGQLSA-N -1 3 537.830 6.209 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000238901130 572189125 /nfs/dbraw/zinc/18/91/25/572189125.db2.gz LDFOLHSLSBNNIK-XPWALMASSA-N -1 3 516.903 5.809 50 0 KKAAHM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245239872 572213528 /nfs/dbraw/zinc/21/35/28/572213528.db2.gz GGJSBAVHTXLFCL-BYBRNZAOSA-N -1 3 537.040 6.258 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245239908 572213570 /nfs/dbraw/zinc/21/35/70/572213570.db2.gz GXIJCBIMSSQPFG-BYBRNZAOSA-N -1 3 537.040 6.258 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000245247862 572221165 /nfs/dbraw/zinc/22/11/65/572221165.db2.gz YLYWLVZFSPBBLJ-GSEVSCEOSA-N -1 3 632.779 6.534 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247832 572221198 /nfs/dbraw/zinc/22/11/98/572221198.db2.gz YBBWWYMELMAGHI-XTQYNZLPSA-N -1 3 508.593 5.723 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247595 572221359 /nfs/dbraw/zinc/22/13/59/572221359.db2.gz XDHCAZPPMAKEJD-ZPNDBRHUSA-N -1 3 574.608 5.699 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311019 572228776 /nfs/dbraw/zinc/22/87/76/572228776.db2.gz LNTPTLAVZQVZQM-CILKRHGOSA-N -1 3 546.026 5.900 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000245310779 572228898 /nfs/dbraw/zinc/22/88/98/572228898.db2.gz KPQPZBXYSSOLFS-HPNWTYDNSA-N -1 3 544.582 5.690 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000245311384 572229449 /nfs/dbraw/zinc/22/94/49/572229449.db2.gz OOSVWNFTSWRROP-TWJOJJKGSA-N -1 3 519.384 6.613 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000245312368 572229716 /nfs/dbraw/zinc/22/97/16/572229716.db2.gz UZAVEVBWGKVKHW-HPNWTYDNSA-N -1 3 544.582 5.690 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247851438 572246233 /nfs/dbraw/zinc/24/62/33/572246233.db2.gz JACJOPKJWBWRCX-BYBRNZAOSA-N -1 3 502.595 5.604 50 0 KKAAHM COc1cccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)c1O ZINC000252627250 572270690 /nfs/dbraw/zinc/27/06/90/572270690.db2.gz RPTCOVYCIGGBNI-UHFFFAOYSA-N -1 3 500.519 5.044 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253414908 572289202 /nfs/dbraw/zinc/28/92/02/572289202.db2.gz ZAPICERQPURZKN-YHZWMNSLSA-N -1 3 763.793 5.174 50 0 KKAAHM O=C(c1cnc(C2CC2)nc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952856789 1071297781 /nfs/dbraw/zinc/29/77/81/1071297781.db2.gz HBAAJWAYHVGXFP-PMERELPUSA-N -1 3 562.626 5.152 50 0 KKAAHM Cc1cccn2c(=O)c(C=NNC(=O)c3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccccc3Cl)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000254402635 1072853589 /nfs/dbraw/zinc/85/35/89/1072853589.db2.gz DVHPBCKOMUPETA-UHFFFAOYSA-N -1 3 714.132 6.188 50 0 KKAAHM Cc1ccc(COc2ccccc2-c2cc(C(=O)NN=Cc3cc(Br)ccc3[O-])[nH]n2)cc1 ZINC000254440796 1072855266 /nfs/dbraw/zinc/85/52/66/1072855266.db2.gz JOOUVDCLWSQGBD-UHFFFAOYSA-N -1 3 505.372 5.196 50 0 KKAAHM Cc1cc(C=N[N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000254794947 1072879870 /nfs/dbraw/zinc/87/98/70/1072879870.db2.gz HPNRAAADPKNOSQ-UHFFFAOYSA-N -1 3 509.828 5.347 50 0 KKAAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCc1sc(Nc2ccccc2)nc1Cl ZINC000254836891 1072883084 /nfs/dbraw/zinc/88/30/84/1072883084.db2.gz LUWYDUFZWAKZQI-UHFFFAOYSA-N -1 3 529.003 5.695 50 0 KKAAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1[N-][NH+]=Cc1sc(Nc2ccccc2)nc1Cl ZINC000254836891 1072883095 /nfs/dbraw/zinc/88/30/95/1072883095.db2.gz LUWYDUFZWAKZQI-UHFFFAOYSA-N -1 3 529.003 5.695 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000002108974 291980159 /nfs/dbraw/zinc/98/01/59/291980159.db2.gz BCGIWCUTZNLMGW-POURPWNDSA-N -1 3 510.634 6.492 50 0 biogenic,in-vitro KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)cc2)c(C)c1 ZINC000000649034 551510398 /nfs/dbraw/zinc/51/03/98/551510398.db2.gz XIQPDJXYEQVLDI-UHFFFAOYSA-N -1 3 561.614 6.312 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000000674268 551521223 /nfs/dbraw/zinc/52/12/23/551521223.db2.gz ZKLCEMFYXDBCSD-OAHLLOKOSA-N -1 3 509.411 5.599 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@@H](C)C2 ZINC000000845351 551548812 /nfs/dbraw/zinc/54/88/12/551548812.db2.gz MWHFSSYQBIDYDB-SNVBAGLBSA-N -1 3 555.003 6.355 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc1[N-]C(=O)c1ccco1 ZINC000001082729 551606276 /nfs/dbraw/zinc/60/62/76/551606276.db2.gz PAYOVBDFKWMPKQ-UHFFFAOYSA-N -1 3 500.882 6.003 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OCC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404643 551661660 /nfs/dbraw/zinc/66/16/60/551661660.db2.gz BNBTWQQPOPBJGV-AREMUKBSSA-N -1 3 518.411 6.386 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OCC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404643 551661662 /nfs/dbraw/zinc/66/16/62/551661662.db2.gz BNBTWQQPOPBJGV-AREMUKBSSA-N -1 3 518.411 6.386 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(O)c(OCC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404679 551661718 /nfs/dbraw/zinc/66/17/18/551661718.db2.gz NLOLQQDSUDQYSY-SANMLTNESA-N -1 3 534.410 6.092 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(O)c(OCC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404679 551661721 /nfs/dbraw/zinc/66/17/21/551661721.db2.gz NLOLQQDSUDQYSY-SANMLTNESA-N -1 3 534.410 6.092 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000001793381 551702206 /nfs/dbraw/zinc/70/22/06/551702206.db2.gz JKBGJHNTTIDYDC-TZRRMPRUSA-N -1 3 571.482 6.080 50 0 KKAAHM COc1cccc(-n2c(=O)c3ccccc3nc2SCc2nc3c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-3)c1 ZINC000001843351 551714464 /nfs/dbraw/zinc/71/44/64/551714464.db2.gz BPLLTEFTSKCBEZ-UHFFFAOYSA-N -1 3 548.668 5.805 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001853794 551715999 /nfs/dbraw/zinc/71/59/99/551715999.db2.gz KDWRELCAWIZHRN-OCBJUFRSSA-N -1 3 555.030 6.369 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)c(C(=O)OCC)c1C ZINC000001853691 551716036 /nfs/dbraw/zinc/71/60/36/551716036.db2.gz KHWIDDPNGNZBIV-UHFFFAOYSA-N -1 3 587.001 6.106 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)c(C(=O)OCC)c1C ZINC000001875590 551722163 /nfs/dbraw/zinc/72/21/63/551722163.db2.gz CFPKSFIAPSVNFS-UHFFFAOYSA-N -1 3 580.972 6.044 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)C[C@H](C)CC2 ZINC000002082097 551752004 /nfs/dbraw/zinc/75/20/04/551752004.db2.gz NITSEPMIWXNTEZ-LLVKDONJSA-N -1 3 569.030 6.745 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)C[C@@H](C)CC2 ZINC000002082096 551752031 /nfs/dbraw/zinc/75/20/31/551752031.db2.gz NITSEPMIWXNTEZ-NSHDSACASA-N -1 3 569.030 6.745 50 0 KKAAHM O=C1Nc2ccc(Br)cc2[C@@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3F)nc1O2 ZINC000002087216 551757043 /nfs/dbraw/zinc/75/70/43/551757043.db2.gz MWJZUSMFSGMZNP-DEOSSOPVSA-N -1 3 536.386 5.342 50 0 KKAAHM [O-]c1ccc(Br)c([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1 ZINC000002087282 551757065 /nfs/dbraw/zinc/75/70/65/551757065.db2.gz IQQNCQGGSQYFLA-NRFANRHFSA-N -1 3 511.376 5.941 50 0 KKAAHM O=C1Nc2ccc(Br)cc2[C@]12[N-]c1ccccc1-c1nnc(SCc3ccccc3F)nc1O2 ZINC000002087213 551757071 /nfs/dbraw/zinc/75/70/71/551757071.db2.gz MWJZUSMFSGMZNP-XMMPIXPASA-N -1 3 536.386 5.342 50 0 KKAAHM CC[C@@H](C)c1ccc(-c2csc([N-]C(=O)c3c(C)onc3-c3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000002090875 551758522 /nfs/dbraw/zinc/75/85/22/551758522.db2.gz SEADHZONHNVFBZ-GOSISDBHSA-N -1 3 502.636 7.710 50 0 KKAAHM COc1ccc(-c2csc([N-]C(=O)c3c(C)onc3-c3ccccc3)c2C(=O)OC(C)C)cc1OC ZINC000002090964 551758718 /nfs/dbraw/zinc/75/87/18/551758718.db2.gz YXIIEZGQAUZPBL-UHFFFAOYSA-N -1 3 506.580 6.213 50 0 KKAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1scc(-c2ccc(C3CCCCC3)cc2)c1C(=O)OC(C)C ZINC000002091303 551758888 /nfs/dbraw/zinc/75/88/88/551758888.db2.gz RDAMBFCGTYXFLF-UHFFFAOYSA-N -1 3 563.119 8.897 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002139667 551774577 /nfs/dbraw/zinc/77/45/77/551774577.db2.gz WGOJINLFMMHVFP-XUZZJYLKSA-N -1 3 501.633 5.767 50 0 biogenic KKAAHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc(I)c1 ZINC000002320606 552094086 /nfs/dbraw/zinc/09/40/86/552094086.db2.gz PQSYMLUVUJIGNT-UHFFFAOYSA-N -1 3 531.400 5.400 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002402154 552111504 /nfs/dbraw/zinc/11/15/04/552111504.db2.gz UUVNEGGURRLIHJ-DSNGMDLFSA-N -1 3 539.802 6.958 50 0 KKAAHM Cc1cc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002645403 552144611 /nfs/dbraw/zinc/14/46/11/552144611.db2.gz GGMWWVXNMWOZBB-QGZVFWFLSA-N -1 3 510.616 5.654 50 0 KKAAHM COc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000002647065 552145345 /nfs/dbraw/zinc/14/53/45/552145345.db2.gz XFXSCMSRRQUJJY-UHFFFAOYSA-N -1 3 548.275 6.082 50 0 KKAAHM CCCCOC(=O)c1c(N)n(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c2nc3ccccc3nc21 ZINC000002655184 552148614 /nfs/dbraw/zinc/14/86/14/552148614.db2.gz OPGJAJCPQDFENQ-UHFFFAOYSA-N -1 3 550.040 5.567 50 0 KKAAHM COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000002865742 552205236 /nfs/dbraw/zinc/20/52/36/552205236.db2.gz KXVGQQRNBMVVKQ-QHCPKHFHSA-N -1 3 536.378 5.066 50 0 KKAAHM COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000002865743 552205240 /nfs/dbraw/zinc/20/52/40/552205240.db2.gz KXVGQQRNBMVVKQ-HSZRJFAPSA-N -1 3 536.378 5.066 50 0 KKAAHM COc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2F)cc1 ZINC000003023217 552264822 /nfs/dbraw/zinc/26/48/22/552264822.db2.gz NSLKMHUENIDUKR-UHFFFAOYSA-N -1 3 506.555 5.357 50 0 KKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 ZINC000003112042 552289541 /nfs/dbraw/zinc/28/95/41/552289541.db2.gz MMPMRKYCGQYARA-UHFFFAOYSA-N -1 3 592.783 7.676 50 0 KKAAHM COc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cc(Cl)ccc4Cl)c3)sc2c1 ZINC000003216209 552307775 /nfs/dbraw/zinc/30/77/75/552307775.db2.gz DOXQFSMRGLATRB-UHFFFAOYSA-N -1 3 542.853 6.318 50 0 KKAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)c(OC)c1 ZINC000003274708 552333581 /nfs/dbraw/zinc/33/35/81/552333581.db2.gz FHIUOZCCWJTTQY-UHFFFAOYSA-N -1 3 514.909 5.429 50 0 KKAAHM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003296301 552343284 /nfs/dbraw/zinc/34/32/84/552343284.db2.gz ITSSTXBISNBJHS-LLVKDONJSA-N -1 3 596.798 6.045 50 0 KKAAHM CC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)nc1-c1ccccc1 ZINC000003307233 552349475 /nfs/dbraw/zinc/34/94/75/552349475.db2.gz MNKOXOROSXHRDJ-UHFFFAOYSA-N -1 3 505.621 5.683 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc43)cc2)cc1 ZINC000003324322 552356594 /nfs/dbraw/zinc/35/65/94/552356594.db2.gz CPZXQWKUZXNFRM-UHFFFAOYSA-N -1 3 511.578 6.402 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 ZINC000003379491 552377632 /nfs/dbraw/zinc/37/76/32/552377632.db2.gz FFZYZGBRXQZZDB-HNNXBMFYSA-N -1 3 569.661 5.879 50 0 KKAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000003415279 552382632 /nfs/dbraw/zinc/38/26/32/552382632.db2.gz MAWZCJQGKCDLFX-UHFFFAOYSA-N -1 3 506.996 5.537 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656027 552404285 /nfs/dbraw/zinc/40/42/85/552404285.db2.gz RWLKLXQLTJQDJY-NRFANRHFSA-N -1 3 526.770 5.669 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656073 552404556 /nfs/dbraw/zinc/40/45/56/552404556.db2.gz NTAIKMADRRWLLX-QHCPKHFHSA-N -1 3 520.379 5.632 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656118 552404832 /nfs/dbraw/zinc/40/48/32/552404832.db2.gz XWELLJXNQTYSRR-JOCHJYFZSA-N -1 3 556.796 5.677 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656165 552405037 /nfs/dbraw/zinc/40/50/37/552405037.db2.gz GEMLLCVQSNGMFX-NRFANRHFSA-N -1 3 510.315 5.154 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(F)(F)F ZINC000004208134 552448879 /nfs/dbraw/zinc/44/88/79/552448879.db2.gz DOWJATMROPPKME-QGYFWPNDSA-N -1 3 709.956 9.522 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)C(F)(F)F ZINC000004208131 552448898 /nfs/dbraw/zinc/44/88/98/552448898.db2.gz DOWJATMROPPKME-DMOQXASISA-N -1 3 709.956 9.522 50 0 KKAAHM Cc1c([O-])c(-c2n[nH]c(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)ccc1OCc1cnn(-c2ccccc2)c1 ZINC000004531312 552463194 /nfs/dbraw/zinc/46/31/94/552463194.db2.gz QOHDPNJJGFTYAV-UHFFFAOYSA-N -1 3 556.548 6.727 50 0 KKAAHM O=C([N-]c1nn2cc(-c3ccc(Cl)cc3)nc2s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000006134863 552538584 /nfs/dbraw/zinc/53/85/84/552538584.db2.gz YNJDTXUIHVXLAA-UHFFFAOYSA-N -1 3 536.466 5.192 50 0 KKAAHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])n1-c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000006474590 552592817 /nfs/dbraw/zinc/59/28/17/552592817.db2.gz DLVAEHTYAYOUNV-UHFFFAOYSA-N -1 3 528.637 7.250 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000006599484 552601212 /nfs/dbraw/zinc/60/12/12/552601212.db2.gz TWYFAQRTNYECEJ-UHFFFAOYSA-N -1 3 615.417 6.698 50 0 KKAAHM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000008384650 552989834 /nfs/dbraw/zinc/98/98/34/552989834.db2.gz BRCFAUXGQOIGHT-UHFFFAOYSA-N -1 3 622.527 6.076 50 0 KKAAHM O=C(CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000008397169 552996441 /nfs/dbraw/zinc/99/64/41/552996441.db2.gz NVICWGMPYQHYSK-UHFFFAOYSA-N -1 3 642.706 5.704 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OCC)cc4)cc3)cc2)cc1 ZINC000008399683 553001794 /nfs/dbraw/zinc/00/17/94/553001794.db2.gz IVLGNNDINNNMLP-UHFFFAOYSA-N -1 3 694.832 6.223 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000008431744 553023934 /nfs/dbraw/zinc/02/39/34/553023934.db2.gz UEUAPCWCZOQJRW-UHFFFAOYSA-N -1 3 533.046 6.101 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1cccc2cccnc21)c1ccccc1I ZINC000008443721 553047818 /nfs/dbraw/zinc/04/78/18/553047818.db2.gz ILOXHDVBWNXVCX-QFIPXVFZSA-N -1 3 646.226 5.356 50 0 KKAAHM CCOC(=O)[C@]([O-])(c1ccc(N[C@@H](c2ccc(OC)cc2)P(=O)(OCC)OCC)cc1)C(F)(F)F ZINC000008445370 553054196 /nfs/dbraw/zinc/05/41/96/553054196.db2.gz LZOIJUUKBCQVDS-IFMALSPDSA-N -1 3 519.453 5.385 50 0 KKAAHM COc1ccc(-c2ccc3c(N)c(C(=O)[N-]c4nnc(SCc5ccccc5)s4)sc3n2)cc1 ZINC000008451056 553060116 /nfs/dbraw/zinc/06/01/16/553060116.db2.gz RBSBAYRPTLZTOA-UHFFFAOYSA-N -1 3 505.650 5.950 50 0 KKAAHM Cc1cc(Br)ccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008594097 553087424 /nfs/dbraw/zinc/08/74/24/553087424.db2.gz IJJOLBIGOCYAHM-QGZVFWFLSA-N -1 3 558.317 5.110 50 0 KKAAHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008684391 553113390 /nfs/dbraw/zinc/11/33/90/553113390.db2.gz UIJJCFJVEWLBBB-UHFFFAOYSA-N -1 3 538.979 6.404 50 0 KKAAHM O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008685103 553114049 /nfs/dbraw/zinc/11/40/49/553114049.db2.gz JTMQGPLGCCHGPD-UHFFFAOYSA-N -1 3 505.427 6.038 50 0 aggregator KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccc(F)cc2)cc1OC ZINC000008845453 553165470 /nfs/dbraw/zinc/16/54/70/553165470.db2.gz SLOWVUSXRSLAOF-HHHXNRCGSA-N -1 3 521.976 5.688 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2ccccc2)cc1OC ZINC000008845389 553165534 /nfs/dbraw/zinc/16/55/34/553165534.db2.gz JAYIWMYVKQIANP-HHHXNRCGSA-N -1 3 503.986 5.549 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008845392 553165561 /nfs/dbraw/zinc/16/55/61/553165561.db2.gz GSGQJNGTAQIKMD-SANMLTNESA-N -1 3 508.405 6.194 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccccc2)cc1OC ZINC000008845390 553165655 /nfs/dbraw/zinc/16/56/55/553165655.db2.gz JAYIWMYVKQIANP-MHZLTWQESA-N -1 3 503.986 5.549 50 0 KKAAHM CCCCc1cc(=O)oc2cc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000009034115 553201892 /nfs/dbraw/zinc/20/18/92/553201892.db2.gz GALCYHHIBLIXLN-MHZLTWQESA-N -1 3 505.592 5.069 50 0 biogenic KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009124675 553213018 /nfs/dbraw/zinc/21/30/18/553213018.db2.gz HPYVZEFKQYKPIK-MHZLTWQESA-N -1 3 503.986 5.549 50 0 KKAAHM COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1OC ZINC000009216166 553221575 /nfs/dbraw/zinc/22/15/75/553221575.db2.gz CCQVESGYLVOXFG-SANMLTNESA-N -1 3 518.529 5.659 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2cccc(O)c2)cc1OC ZINC000009242784 553226592 /nfs/dbraw/zinc/22/65/92/553226592.db2.gz JHZGQGXMCPKTJV-HHHXNRCGSA-N -1 3 519.985 5.255 50 0 KKAAHM CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)cc2)c1 ZINC000009243574 553226846 /nfs/dbraw/zinc/22/68/46/553226846.db2.gz CPPMYCGSZSFWCC-NDEPHWFRSA-N -1 3 518.013 5.939 50 0 KKAAHM CCOC(=O)c1cc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)ccc1Cl ZINC000009273421 553232168 /nfs/dbraw/zinc/23/21/68/553232168.db2.gz UVCARSRACRFCBU-UHFFFAOYSA-N -1 3 508.987 5.201 50 0 KKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009463574 553269193 /nfs/dbraw/zinc/26/91/93/553269193.db2.gz HWVSCFRMVDRTPK-SQRAXXTESA-N -1 3 511.021 5.928 50 0 KKAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009490731 553274060 /nfs/dbraw/zinc/27/40/60/553274060.db2.gz ZPDKNXWVQONSJB-UHFFFAOYSA-N -1 3 503.971 5.285 50 0 KKAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009490731 553274063 /nfs/dbraw/zinc/27/40/63/553274063.db2.gz ZPDKNXWVQONSJB-UHFFFAOYSA-N -1 3 503.971 5.285 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)cc2)cc1 ZINC000009514315 553276401 /nfs/dbraw/zinc/27/64/01/553276401.db2.gz WYOYQSJUQUEATO-UHFFFAOYSA-N -1 3 508.621 5.697 50 0 KKAAHM CCSc1nnc2c(n1)O[C@@H](c1ccc([O-])c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000009601857 553287042 /nfs/dbraw/zinc/28/70/42/553287042.db2.gz AKNKQIJNHQLBLR-INIZCTEOSA-N -1 3 510.211 5.384 50 0 KKAAHM CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000011757900 553340970 /nfs/dbraw/zinc/34/09/70/553340970.db2.gz SXSQVPUDHSQUHO-UHFFFAOYSA-N -1 3 534.981 5.493 50 0 KKAAHM N=C1c2ccccc2CN1c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012523950 553383196 /nfs/dbraw/zinc/38/31/96/553383196.db2.gz HRBRLYXISRENNV-UHFFFAOYSA-N -1 3 500.546 5.452 50 0 KKAAHM CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc2C1=O ZINC000012539352 553388532 /nfs/dbraw/zinc/38/85/32/553388532.db2.gz BHLCZGWUECYBKO-UHFFFAOYSA-N -1 3 519.623 5.061 50 0 KKAAHM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000012542526 553390599 /nfs/dbraw/zinc/39/05/99/553390599.db2.gz VHJUAUHHTFHLIQ-UHFFFAOYSA-N -1 3 519.623 5.849 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cc1 ZINC000012566896 553397361 /nfs/dbraw/zinc/39/73/61/553397361.db2.gz DLWUIOSEBDJXGD-UHFFFAOYSA-N -1 3 519.711 5.718 50 0 KKAAHM CCC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)[n-]c(=O)c32)C1 ZINC000012590479 553400243 /nfs/dbraw/zinc/40/02/43/553400243.db2.gz XARXAHRMESLIJO-LBPRGKRZSA-N -1 3 510.512 6.563 50 0 KKAAHM COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012632927 553405903 /nfs/dbraw/zinc/40/59/03/553405903.db2.gz WDAMWMULQINGBZ-INIZCTEOSA-N -1 3 524.042 6.008 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000013787936 553491022 /nfs/dbraw/zinc/49/10/22/553491022.db2.gz HEMZGEPJUBCQCC-NJDAHSKKSA-N -1 3 501.739 5.293 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1Cl ZINC000015320581 553531925 /nfs/dbraw/zinc/53/19/25/553531925.db2.gz SGTAIIVFUJOSCB-WRALFONMSA-N -1 3 511.803 5.852 50 0 KKAAHM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(I)c([O-])c(OC)c2)N3)C1 ZINC000015945759 553544251 /nfs/dbraw/zinc/54/42/51/553544251.db2.gz BIRBGQHXKILTOM-CWTRNNRKSA-N -1 3 526.440 6.037 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(OC)c(OC)c4)cc3)n2)cc1 ZINC000017013692 553586182 /nfs/dbraw/zinc/58/61/82/553586182.db2.gz VJYLXYOFRNAMOJ-UHFFFAOYSA-N -1 3 521.599 5.099 50 0 KKAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1C ZINC000017307002 553593059 /nfs/dbraw/zinc/59/30/59/553593059.db2.gz CODAMPHNHDXBNL-UHFFFAOYSA-N -1 3 517.655 6.397 50 0 KKAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[n-]2)cc1 ZINC000017576784 553598234 /nfs/dbraw/zinc/59/82/34/553598234.db2.gz FIFYIGWVLGEATC-UHFFFAOYSA-N -1 3 519.530 5.167 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018045889 553602008 /nfs/dbraw/zinc/60/20/08/553602008.db2.gz TWXMRUSISZIMHZ-BDTNDASRSA-N -1 3 513.775 5.162 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018063064 553602822 /nfs/dbraw/zinc/60/28/22/553602822.db2.gz SXWCNTMBKSVPGS-PFBJBMPXSA-N -1 3 504.558 5.454 50 0 KKAAHM COc1ccc(OC)c([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079188597 553666710 /nfs/dbraw/zinc/66/67/10/553666710.db2.gz KOJSBAGUPJUWER-HFQCPDOSSA-N -1 3 508.567 5.332 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OCC(C)C ZINC000079189445 553667429 /nfs/dbraw/zinc/66/74/29/553667429.db2.gz QXVWOVQSHVACBO-MBHRIBRTSA-N -1 3 550.648 6.358 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OCC(C)C ZINC000079189917 553667714 /nfs/dbraw/zinc/66/77/14/553667714.db2.gz IGOAHIPOXJMGRF-XURYWTMJSA-N -1 3 550.648 6.358 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1O ZINC000079191792 553668282 /nfs/dbraw/zinc/66/82/82/553668282.db2.gz WGJOSLQQHQYNBP-JCEQJLTGSA-N -1 3 524.566 5.038 50 0 KKAAHM CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@H](C)CCCC(=O)CCCC=C5)o2)cc1 ZINC000085877496 553689436 /nfs/dbraw/zinc/68/94/36/553689436.db2.gz HVKYPHHHEFMRSF-INAADSDXSA-N -1 3 556.611 6.778 50 0 KKAAHM Ic1cccc(C=NN=c2nc(NN=Cc3cccc(I)c3)nc(Nc3cccc4ccccc43)[n-]2)c1 ZINC000095100419 553698956 /nfs/dbraw/zinc/69/89/56/553698956.db2.gz OLGIOVUHMJBVID-RVSCTIAXSA-N -1 3 710.321 6.870 50 0 KKAAHM CC(C)Cn1c2ccccc2cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1=O ZINC000096222905 553731770 /nfs/dbraw/zinc/73/17/70/553731770.db2.gz BDYHXSNNBXKZDK-JOCHJYFZSA-N -1 3 507.542 5.578 50 0 biogenic KKAAHM [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795454 553750727 /nfs/dbraw/zinc/75/07/27/553750727.db2.gz UUAQGLNXIOCCDT-JOCHJYFZSA-N -1 3 540.476 5.970 50 0 KKAAHM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852781 553761571 /nfs/dbraw/zinc/76/15/71/553761571.db2.gz RFPFIBPOCAFCEZ-SANMLTNESA-N -1 3 513.642 5.441 50 0 KKAAHM O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000097940257 553764114 /nfs/dbraw/zinc/76/41/14/553764114.db2.gz BWDRLGLMMQSSMA-UHFFFAOYSA-N -1 3 529.387 5.560 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000097952574 553816696 /nfs/dbraw/zinc/81/66/96/553816696.db2.gz WCOFXYXKDHFUEJ-QHAWAJNXSA-N -1 3 518.194 5.807 50 0 KKAAHM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5c(C)cc(C)cc5C)cc4)cn3)n2)cc1 ZINC000032974761 553883746 /nfs/dbraw/zinc/88/37/46/553883746.db2.gz ZOPCTMGATAVPQC-UHFFFAOYSA-N -1 3 513.623 5.683 50 0 KKAAHM Cc1ccccc1-n1c(=O)c2cc(I)ccc2nc1/C=C/c1cc(Br)ccc1[O-] ZINC000097968769 553934345 /nfs/dbraw/zinc/93/43/45/553934345.db2.gz JVQSCNHJHGLUCO-IZZDOVSWSA-N -1 3 559.201 5.937 50 0 KKAAHM COc1cccc(-n2c(/C=C/c3cc(Br)ccc3[O-])nc3ccc(I)cc3c2=O)c1 ZINC000097968767 553934364 /nfs/dbraw/zinc/93/43/64/553934364.db2.gz SVKPUKFDXINSHO-BJMVGYQFSA-N -1 3 575.200 5.637 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)nc2)cc1 ZINC000034682142 553985676 /nfs/dbraw/zinc/98/56/76/553985676.db2.gz XJPNZXYRJDIBNJ-UHFFFAOYSA-N -1 3 514.651 5.305 50 0 KKAAHM O=C1c2ccccc2C(=CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000097980533 553989471 /nfs/dbraw/zinc/98/94/71/553989471.db2.gz IFZQWFWUZXASBR-WMMMYUQOSA-N -1 3 674.776 5.831 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC=C1c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000097980552 553989515 /nfs/dbraw/zinc/98/95/15/553989515.db2.gz STKNSXQGIKUIKK-HAVVHWLPSA-N -1 3 594.476 6.443 50 0 KKAAHM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000097981301 553992945 /nfs/dbraw/zinc/99/29/45/553992945.db2.gz NWJQNPHMVVAMQL-UHFFFAOYSA-N -1 3 595.146 6.579 50 0 KKAAHM O=P1(Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000097983580 554010320 /nfs/dbraw/zinc/01/03/20/554010320.db2.gz QXOZHYJFGYRSGB-UHFFFAOYSA-N -1 3 548.988 7.858 50 0 KKAAHM CC(C)(C)P(=NC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)(N1CCCCCC1)N1CCCCCC1 ZINC000097984072 554013924 /nfs/dbraw/zinc/01/39/24/554013924.db2.gz LEWGUZHCHVQXLY-UHFFFAOYSA-N -1 3 658.702 9.073 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3Cl)co2)s1)c1cccs1 ZINC000097990886 554029744 /nfs/dbraw/zinc/02/97/44/554029744.db2.gz BOWOEXPSAYISPT-UHFFFAOYSA-N -1 3 523.976 5.109 50 0 KKAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)Sc2ccccc2C(=O)N3C)no1 ZINC000035511154 554057579 /nfs/dbraw/zinc/05/75/79/554057579.db2.gz HWTVDQGLGUAYHA-HSZRJFAPSA-N -1 3 520.636 5.153 50 0 KKAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1)c1nc(-c2ccc3c(c2)Sc2ccccc2C(=O)N3C)no1 ZINC000035511153 554057655 /nfs/dbraw/zinc/05/76/55/554057655.db2.gz HWTVDQGLGUAYHA-QHCPKHFHSA-N -1 3 520.636 5.153 50 0 KKAAHM FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC000098052692 554176335 /nfs/dbraw/zinc/17/63/35/554176335.db2.gz MDKAFDIKYQMOMF-UHFFFAOYSA-N -1 3 511.249 5.476 50 0 in-vitro KKAAHM Cc1ccc(C(NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100008048 554179338 /nfs/dbraw/zinc/17/93/38/554179338.db2.gz YPTNAIDIXCOZAJ-LHEWISCISA-N -1 3 624.781 8.039 50 0 KKAAHM Cc1ccc(C(NCCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100076998 554204817 /nfs/dbraw/zinc/20/48/17/554204817.db2.gz YPTNAIDIXCOZAJ-KXQOOQHDSA-N -1 3 624.781 8.039 50 0 KKAAHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000059620533 554413931 /nfs/dbraw/zinc/41/39/31/554413931.db2.gz KNOXJSPFTDTJED-UHFFFAOYSA-N -1 3 545.846 5.795 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cc(Cl)cc(Cl)c1 ZINC000100862291 554496102 /nfs/dbraw/zinc/49/61/02/554496102.db2.gz PALSURITBFORCW-CTNGQTDRSA-N -1 3 515.194 5.538 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000060164715 554502506 /nfs/dbraw/zinc/50/25/06/554502506.db2.gz FBAUQPLOXQNMBE-OAQYLSRUSA-N -1 3 565.055 5.845 50 0 KKAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000064474568 554511282 /nfs/dbraw/zinc/51/12/82/554511282.db2.gz GKTHXUARCGQNLZ-UHFFFAOYSA-N -1 3 531.650 5.197 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc5cccc6c5c4CC6)cc3)n2)cc1 ZINC000100957640 554540686 /nfs/dbraw/zinc/54/06/86/554540686.db2.gz RGCGIYMQKHVAPG-UHFFFAOYSA-N -1 3 537.645 6.333 50 0 KKAAHM O=C(c1ccc(Br)cc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101064638 554572727 /nfs/dbraw/zinc/57/27/27/554572727.db2.gz KYYFKOQRQJVVSI-MFUXGYHDSA-N -1 3 581.491 6.367 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000101075943 554577385 /nfs/dbraw/zinc/57/73/85/554577385.db2.gz BOSBRCJAAOCVFI-DSNGMDLFSA-N -1 3 584.253 7.067 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101115470 554642801 /nfs/dbraw/zinc/64/28/01/554642801.db2.gz FGYBWTFVCYLGRF-PFBJBMPXSA-N -1 3 524.960 5.610 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101130027 554649170 /nfs/dbraw/zinc/64/91/70/554649170.db2.gz UUZJMAIIODEPQS-FCEKVYKBSA-N -1 3 538.531 5.105 50 0 KKAAHM COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1 ZINC000101143114 554655234 /nfs/dbraw/zinc/65/52/34/554655234.db2.gz ICLMDOUHZPFQEH-HHHXNRCGSA-N -1 3 522.564 7.098 50 0 KKAAHM COc1ccc([C@@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101171539 554661684 /nfs/dbraw/zinc/66/16/84/554661684.db2.gz JBKLZVWVXIYWEH-MHZLTWQESA-N -1 3 522.564 7.098 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101181525 554667060 /nfs/dbraw/zinc/66/70/60/554667060.db2.gz UZAVEVBWGKVKHW-WFPUBZAHSA-N -1 3 544.582 5.690 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101206168 554676033 /nfs/dbraw/zinc/67/60/33/554676033.db2.gz WQAQLDOMJVZVAW-QODLHPCFSA-N -1 3 516.622 5.913 50 0 KKAAHM O=C(c1ccccc1)C1=C(Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000101333811 554733922 /nfs/dbraw/zinc/73/39/22/554733922.db2.gz PMTXGVBITKHZLP-GNUFGFFZSA-N -1 3 511.283 5.657 50 0 KKAAHM COc1ccc([C@@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000101361955 554743255 /nfs/dbraw/zinc/74/32/55/554743255.db2.gz HIFDENRBIVFYEH-NDEPHWFRSA-N -1 3 552.590 7.106 50 0 KKAAHM O=C(Nc1nnc(-c2ccccc2)s1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101436314 554772125 /nfs/dbraw/zinc/77/21/25/554772125.db2.gz HOFTYMZTPHRTFA-LJQANCHMSA-N -1 3 533.462 5.040 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000101813829 554839874 /nfs/dbraw/zinc/83/98/74/554839874.db2.gz YXNUOXYASFBBCA-JOCHJYFZSA-N -1 3 538.714 5.216 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102548909 554960545 /nfs/dbraw/zinc/96/05/45/554960545.db2.gz GHMKCJIKFYKHBK-CLWMVSBGSA-N -1 3 576.674 6.012 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102560539 554967553 /nfs/dbraw/zinc/96/75/53/554967553.db2.gz CXTVRUVNZZWPLP-GMTSZFNJSA-N -1 3 570.645 6.869 50 0 KKAAHM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@H](NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000102619702 554986046 /nfs/dbraw/zinc/98/60/46/554986046.db2.gz ZUQVMGHOBYQBEX-IHPUGEDLSA-N -1 3 592.125 7.049 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102738097 555026916 /nfs/dbraw/zinc/02/69/16/555026916.db2.gz JPHYZFCYTPLGCN-ZONZVBGPSA-N -1 3 524.960 5.610 50 0 KKAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000102745020 555036716 /nfs/dbraw/zinc/03/67/16/555036716.db2.gz ILVCQAXIJWUZNV-FKBYEOEOSA-N -1 3 575.246 5.024 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000102748253 555042415 /nfs/dbraw/zinc/04/24/15/555042415.db2.gz VCKRTHALUFDKKU-KKUQBAQOSA-N -1 3 519.384 6.613 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000102749596 555043648 /nfs/dbraw/zinc/04/36/48/555043648.db2.gz DYRVIGRDKPJWKJ-UPRLRBBYSA-N -1 3 545.422 6.624 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102750380 555044010 /nfs/dbraw/zinc/04/40/10/555044010.db2.gz IPYLSQHNZKETOM-IDZRBWSNSA-N -1 3 548.595 5.746 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000102752004 555044813 /nfs/dbraw/zinc/04/48/13/555044813.db2.gz XVOPXTZPMAYANC-OZNIXHKMSA-N -1 3 504.542 5.265 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102754039 555046136 /nfs/dbraw/zinc/04/61/36/555046136.db2.gz AZTWLJFHYAFNLG-ZONZVBGPSA-N -1 3 524.960 5.610 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102757407 555049987 /nfs/dbraw/zinc/04/99/87/555049987.db2.gz BDMBIHLTYMNYJJ-PCCBWWKXSA-N -1 3 508.188 6.351 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000102768341 555056147 /nfs/dbraw/zinc/05/61/47/555056147.db2.gz YXZMETQFKGFUTE-TZRRMPRUSA-N -1 3 507.384 5.289 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860563 555090561 /nfs/dbraw/zinc/09/05/61/555090561.db2.gz NYWSEYZHPZROSX-XPWALMASSA-N -1 3 591.900 6.425 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(OC)cc1OC)CCCC2 ZINC000102861389 555091609 /nfs/dbraw/zinc/09/16/09/555091609.db2.gz RFRBKAHNUSAJDB-DSNGMDLFSA-N -1 3 583.062 5.135 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccccc1)CCCC2 ZINC000102863189 555092867 /nfs/dbraw/zinc/09/28/67/555092867.db2.gz QFYQOZHFIRBPAQ-DSNGMDLFSA-N -1 3 516.619 5.163 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(C)cc1 ZINC000102863913 555093624 /nfs/dbraw/zinc/09/36/24/555093624.db2.gz LYACREYTWOSDBD-RJGXRXQPSA-N -1 3 525.026 5.555 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102866967 555096337 /nfs/dbraw/zinc/09/63/37/555096337.db2.gz DEWWSCGSCXXTIC-IARZGTGTSA-N -1 3 589.431 6.272 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(I)cc1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000102868339 555097906 /nfs/dbraw/zinc/09/79/06/555097906.db2.gz QCWDHMZAYZRCDK-NJDAHSKKSA-N -1 3 575.200 5.105 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102889230 555123076 /nfs/dbraw/zinc/12/30/76/555123076.db2.gz UKRDWDBPEWEPTA-ZONZVBGPSA-N -1 3 561.015 5.159 50 0 KKAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)cc21 ZINC000102955855 555173684 /nfs/dbraw/zinc/17/36/84/555173684.db2.gz BEUZMSVUTZDAPQ-UHFFFAOYSA-N -1 3 523.758 5.221 50 0 KKAAHM O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000102962388 555178685 /nfs/dbraw/zinc/17/86/85/555178685.db2.gz JNFKNWIBLYORJA-ULLHUXCLSA-N -1 3 603.895 9.306 50 0 KKAAHM O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000102974081 555183810 /nfs/dbraw/zinc/18/38/10/555183810.db2.gz RRNBXQGPRXVCPG-ULLHUXCLSA-N -1 3 603.895 9.306 50 0 KKAAHM Cc1sc2[nH]c(CSCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000102974986 555184627 /nfs/dbraw/zinc/18/46/27/555184627.db2.gz QWTMVEZZYKQWNQ-UHFFFAOYSA-N -1 3 542.711 6.667 50 0 KKAAHM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1=O ZINC000103013204 555207761 /nfs/dbraw/zinc/20/77/61/555207761.db2.gz XXJSWLQYYDKYLS-FPOVZHCZSA-N -1 3 535.666 5.310 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1cccc(Br)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000103025161 555215502 /nfs/dbraw/zinc/21/55/02/555215502.db2.gz DWQJRWLAKZVBOH-NJDAHSKKSA-N -1 3 551.746 6.172 50 0 KKAAHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)cc12 ZINC000103049593 555231766 /nfs/dbraw/zinc/23/17/66/555231766.db2.gz BCKZYZMTPGJVGJ-UHFFFAOYSA-N -1 3 530.675 6.374 50 0 KKAAHM CC[C@@H](C)c1ccc(-n2c(SCc3nc(=O)c4c(C)c(C(=O)OC)sc4[n-]3)nc3cc(Cl)ccc3c2=O)cc1 ZINC000103055831 555237233 /nfs/dbraw/zinc/23/72/33/555237233.db2.gz AQYYEDXYYZSLIV-CQSZACIVSA-N -1 3 581.119 6.238 50 0 KKAAHM O=C(NCc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000103365278 555365598 /nfs/dbraw/zinc/36/55/98/555365598.db2.gz GOKKFVLDKLJRAS-UHFFFAOYSA-N -1 3 604.679 5.048 50 0 KKAAHM COc1ccc(C(=O)N(Cc2cc([N-]S(=O)(=O)c3ccc(OC)cc3)ccc2N(C)C)[C@@H](C)c2ccccc2)cc1 ZINC000103399671 555385721 /nfs/dbraw/zinc/38/57/21/555385721.db2.gz RAJLIZJDTAWANH-QHCPKHFHSA-N -1 3 573.715 5.974 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccccc3)C(=O)c3cccs3)c2)cc1 ZINC000103404205 555390607 /nfs/dbraw/zinc/39/06/07/555390607.db2.gz CVMIRXQSAGRSFK-UHFFFAOYSA-N -1 3 535.691 5.466 50 0 KKAAHM CCN1CCN(C(=O)c2cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000103421909 555402845 /nfs/dbraw/zinc/40/28/45/555402845.db2.gz DGJKGALZVBGROY-UHFFFAOYSA-N -1 3 572.775 5.874 50 0 KKAAHM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103529334 555429891 /nfs/dbraw/zinc/42/98/91/555429891.db2.gz GGJSBAVHTXLFCL-MFUXGYHDSA-N -1 3 537.040 6.258 50 0 KKAAHM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000104857076 571386886 /nfs/dbraw/zinc/38/68/86/571386886.db2.gz ZPWOSEJENXATOL-UHFFFAOYSA-N -1 3 542.145 6.676 50 0 KKAAHM O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791402 571408608 /nfs/dbraw/zinc/40/86/08/571408608.db2.gz HYVPREUZPFQWON-QHAWAJNXSA-N -1 3 582.863 5.366 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105795226 571408704 /nfs/dbraw/zinc/40/87/04/571408704.db2.gz UISUCNIPNWDEOI-CKOYEXALSA-N -1 3 570.645 6.869 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000105796136 571408754 /nfs/dbraw/zinc/40/87/54/571408754.db2.gz AJACMJRKDCTOFA-TWJOJJKGSA-N -1 3 551.437 5.688 50 0 KKAAHM CCOc1cc(Br)c(Br)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1[O-] ZINC000105959154 571409524 /nfs/dbraw/zinc/40/95/24/571409524.db2.gz XWWDTLLRACRHED-IUXPMGMMSA-N -1 3 584.286 5.608 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000105990293 571410080 /nfs/dbraw/zinc/41/00/80/571410080.db2.gz SMGNYNJBBTYXOB-JFHPUIQFSA-N -1 3 558.675 6.494 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106014400 571410358 /nfs/dbraw/zinc/41/03/58/571410358.db2.gz XDLGDMKLZCIDCX-MPFGFTFXSA-N -1 3 552.558 5.413 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000106018369 571410442 /nfs/dbraw/zinc/41/04/42/571410442.db2.gz YRTFIEWOVFCHFC-ZONZVBGPSA-N -1 3 569.411 5.719 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000106018630 571410491 /nfs/dbraw/zinc/41/04/91/571410491.db2.gz BNIOAGSFSYMSRP-IDZRBWSNSA-N -1 3 564.594 5.364 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106019780 571410687 /nfs/dbraw/zinc/41/06/87/571410687.db2.gz YVTFFVFKFYNBFH-XWHIBYANSA-N -1 3 588.591 6.258 50 0 KKAAHM COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c31)c(=O)n2CC(C)C ZINC000108447911 571423930 /nfs/dbraw/zinc/42/39/30/571423930.db2.gz SAAJEBDNFWVZJQ-HSZRJFAPSA-N -1 3 537.568 5.586 50 0 biogenic KKAAHM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCCc1ccccc1 ZINC000108450461 571425384 /nfs/dbraw/zinc/42/53/84/571425384.db2.gz YVXJZWRHIPXEKR-RUZDIDTESA-N -1 3 534.564 6.237 50 0 biogenic KKAAHM COc1ccc(CCOc2cc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)ccc2OC)cc1 ZINC000108450895 571425503 /nfs/dbraw/zinc/42/55/03/571425503.db2.gz XQLFIYOKGUOCEN-SANMLTNESA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000136643261 571449633 /nfs/dbraw/zinc/44/96/33/571449633.db2.gz RUPCLJMTESUGJN-ISJGIBHGSA-N -1 3 517.354 5.793 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000137813337 571450593 /nfs/dbraw/zinc/45/05/93/571450593.db2.gz QYSPWHCQALCUAM-CCDWMCETSA-N -1 3 505.357 6.305 50 0 KKAAHM CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(N5CCOCC5)c(S(=O)(=O)[N-]c5ccccc5Cl)c4)cc3C2=O)cc1 ZINC000150407947 571480443 /nfs/dbraw/zinc/48/04/43/571480443.db2.gz XFHDTSBXDVQGCR-UHFFFAOYSA-N -1 3 661.136 5.429 50 0 KKAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(=O)Nc6ccccc6O)cc5C4=O)cc3)cc1)C2=O ZINC000150414231 571484984 /nfs/dbraw/zinc/48/49/84/571484984.db2.gz GBFUAWCUDBGGAM-UHFFFAOYSA-N -1 3 730.689 6.996 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150414770 571485315 /nfs/dbraw/zinc/48/53/15/571485315.db2.gz YIFRWDZXGTYRFT-DSNGMDLFSA-N -1 3 631.253 6.909 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490551 571517248 /nfs/dbraw/zinc/51/72/48/571517248.db2.gz USIKGZIBYAXPBU-OAQYLSRUSA-N -1 3 655.246 6.616 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(Br)cc3)cc2)cc1 ZINC000170626714 571563099 /nfs/dbraw/zinc/56/30/99/571563099.db2.gz SVWOSLVIEVREPQ-SFHVURJKSA-N -1 3 547.540 6.712 50 0 KKAAHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000261492657 572110939 /nfs/dbraw/zinc/11/09/39/572110939.db2.gz YTCJFKGHPCXNHP-DEOSSOPVSA-N -1 3 503.965 5.053 50 0 KKAAHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261492565 572110971 /nfs/dbraw/zinc/11/09/71/572110971.db2.gz JJXSJXALRXZQOK-XMMPIXPASA-N -1 3 520.420 5.567 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226831990 572142920 /nfs/dbraw/zinc/14/29/20/572142920.db2.gz LMJKUQKVRQKBDU-OYUWMTPXSA-N -1 3 542.950 5.749 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227022278 572147323 /nfs/dbraw/zinc/14/73/23/572147323.db2.gz RFPUSBURMCLQQW-ZXFZPVEDSA-N -1 3 590.701 6.320 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227029751 572148083 /nfs/dbraw/zinc/14/80/83/572148083.db2.gz CXTVRUVNZZWPLP-LBFZIJHGSA-N -1 3 570.645 6.869 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000227045638 572148260 /nfs/dbraw/zinc/14/82/60/572148260.db2.gz YTBXJCRIBIBBEH-PCCBWWKXSA-N -1 3 535.291 5.658 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227086697 572150237 /nfs/dbraw/zinc/15/02/37/572150237.db2.gz YEVTYJNCKNYRIU-UUQNIDNHSA-N -1 3 597.092 6.275 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227241527 572152371 /nfs/dbraw/zinc/15/23/71/572152371.db2.gz YVTFFVFKFYNBFH-DCMFLLSESA-N -1 3 588.591 6.258 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(-c3ccc(F)cc3)o1)C[C@@H](C(C)(C)C)CC2 ZINC000229868638 572163252 /nfs/dbraw/zinc/16/32/52/572163252.db2.gz XADVKYJPWGMYDS-MIPDPRSHSA-N -1 3 628.722 7.136 50 0 KKAAHM O=C(c1ccc(Br)cc1)[C@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000229871872 572163735 /nfs/dbraw/zinc/16/37/35/572163735.db2.gz KYYFKOQRQJVVSI-KUYWTNKVSA-N -1 3 581.491 6.367 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000229890966 572165470 /nfs/dbraw/zinc/16/54/70/572165470.db2.gz ODEHUGNLBCBGRS-UPRLRBBYSA-N -1 3 563.437 7.093 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000229968017 572174558 /nfs/dbraw/zinc/17/45/58/572174558.db2.gz BEHKNDPLVAUERG-RBZQAINGSA-N -1 3 571.482 6.162 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000229990522 572177156 /nfs/dbraw/zinc/17/71/56/572177156.db2.gz BVKLXVDDFCVWMA-YTFSRNRJSA-N -1 3 524.791 6.246 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000230003580 572177916 /nfs/dbraw/zinc/17/79/16/572177916.db2.gz HMGCWYIVECWVQW-ISJGIBHGSA-N -1 3 539.802 6.958 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000230011155 572178564 /nfs/dbraw/zinc/17/85/64/572178564.db2.gz OOSVWNFTSWRROP-JIMJEQGWSA-N -1 3 519.384 6.613 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000230033371 572180700 /nfs/dbraw/zinc/18/07/00/572180700.db2.gz IBILEQVHJPEGSC-YTFSRNRJSA-N -1 3 511.347 5.038 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000230052837 572181832 /nfs/dbraw/zinc/18/18/32/572181832.db2.gz YLDPQEKCJYKKRK-RBZQAINGSA-N -1 3 507.384 5.289 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189492 572185131 /nfs/dbraw/zinc/18/51/31/572185131.db2.gz GFWSHDWZDDBACX-QEETYVBOSA-N -1 3 517.610 5.389 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000238950230 572189575 /nfs/dbraw/zinc/18/95/75/572189575.db2.gz XGGRGRIBRQXWRZ-UBFVSLLYSA-N -1 3 516.619 5.163 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245245204 572217156 /nfs/dbraw/zinc/21/71/56/572217156.db2.gz BWEQFPMJXCVAOS-ACIRYHQQSA-N -1 3 559.493 6.972 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000245245222 572217229 /nfs/dbraw/zinc/21/72/29/572217229.db2.gz CEPACTMFKHAIAN-OLBUMSFYSA-N -1 3 555.634 5.645 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245246797 572220012 /nfs/dbraw/zinc/22/00/12/572220012.db2.gz OEULSDVNRAXMCN-JCYYIGJDSA-N -1 3 575.042 5.467 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310076 572228094 /nfs/dbraw/zinc/22/80/94/572228094.db2.gz HFRUBRGONLVFPZ-DDWAFBAVSA-N -1 3 539.635 5.945 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245312000 572229966 /nfs/dbraw/zinc/22/99/66/572229966.db2.gz RPAOVPSORWAUDF-XTQYNZLPSA-N -1 3 525.048 6.237 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000245312785 572230213 /nfs/dbraw/zinc/23/02/13/572230213.db2.gz WYYYTXNFYZOAJH-TWJOJJKGSA-N -1 3 519.384 6.613 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cc(Br)ccc1OC)C[C@@H](C(C)(C)C)CC2 ZINC000245328151 572234489 /nfs/dbraw/zinc/23/44/89/572234489.db2.gz SKWSTHUBXPHTHA-OGUHAFAFSA-N -1 3 653.595 6.508 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340641 572258462 /nfs/dbraw/zinc/25/84/62/572258462.db2.gz VFFRXJDXMHLXLI-HPNWTYDNSA-N -1 3 541.607 5.336 50 0 KKAAHM CCCCN(CCCC)c1nc(N=NC=C(Br)Cc2ccccc2)nc([N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC000252635933 572271886 /nfs/dbraw/zinc/27/18/86/572271886.db2.gz XCJYALMYJYHYMI-GAGBAFHSSA-N -1 3 567.492 6.764 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410309 572287392 /nfs/dbraw/zinc/28/73/92/572287392.db2.gz NETKSSSITQZGER-OSPAZUARSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253414905 572289189 /nfs/dbraw/zinc/28/91/89/572289189.db2.gz ZAPICERQPURZKN-CXNHSUMOSA-N -1 3 763.793 5.174 50 0 KKAAHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)C2=O)cc1C ZINC000103004804 1070971176 /nfs/dbraw/zinc/97/11/76/1070971176.db2.gz KJUNOJBMKCRTDF-MTDXEUNCSA-N -1 3 558.059 6.398 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c4ccccc4C(=O)c4ccccc43)cc2)cc1 ZINC000029492423 1071140134 /nfs/dbraw/zinc/14/01/34/1071140134.db2.gz BDZRLGWNSJJMFZ-UHFFFAOYSA-N -1 3 684.839 7.832 50 0 KKAAHM O=[N+]([O-])c1ccc([N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000254480293 1072856924 /nfs/dbraw/zinc/85/69/24/1072856924.db2.gz WKQHWXDENFKTTR-UHFFFAOYSA-N -1 3 599.094 5.455 50 0 KKAAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)cc1I ZINC000000673793 551520413 /nfs/dbraw/zinc/52/04/13/551520413.db2.gz CSTUAUOKWRWTCL-UHFFFAOYSA-N -1 3 550.418 5.278 50 0 KKAAHM Cc1ccc(OCC(=O)Nc2ccc(Cc3ccc(NC(=O)COc4ccc(C)c(C)c4)c(O)c3)cc2[O-])cc1C ZINC000000692711 551527758 /nfs/dbraw/zinc/52/77/58/551527758.db2.gz VNQXIZWMBUOJAY-UHFFFAOYSA-N -1 3 554.643 5.957 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)sc2c1CCCC2 ZINC000000845348 551548865 /nfs/dbraw/zinc/54/88/65/551548865.db2.gz XEIANUQFWJNADZ-UHFFFAOYSA-N -1 3 585.427 6.218 50 0 KKAAHM COC1=C(C(=O)Nc2ccccc2[O-])[C@@H](c2cccn2C)C(C(=O)Nc2ccc(Br)cc2)=C(CC#N)S1 ZINC000000971336 551590938 /nfs/dbraw/zinc/59/09/38/551590938.db2.gz KRUQJTVTFWAFDZ-QFIPXVFZSA-N -1 3 579.476 5.627 50 0 KKAAHM COc1ccc(-c2cc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3n2)c(OC)c1 ZINC000000995045 551594204 /nfs/dbraw/zinc/59/42/04/551594204.db2.gz PBHHKNIGHHEQEI-UHFFFAOYSA-N -1 3 553.640 6.281 50 0 KKAAHM CC(C)(C)c1cc([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)no1 ZINC000001516047 551683853 /nfs/dbraw/zinc/68/38/53/551683853.db2.gz MQNOQLGDLXCZAA-UHFFFAOYSA-N -1 3 508.298 5.715 50 0 KKAAHM CC(C)OC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000001765222 551694865 /nfs/dbraw/zinc/69/48/65/551694865.db2.gz FVBBKSAAQUTULI-UHFFFAOYSA-N -1 3 563.001 6.826 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001868070 551718562 /nfs/dbraw/zinc/71/85/62/551718562.db2.gz OLHGMNVNSUCUBN-HNNXBMFYSA-N -1 3 591.055 7.320 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cccs4)cc3C(F)(F)F)c1Cl)CCCC2 ZINC000001896712 551728355 /nfs/dbraw/zinc/72/83/55/551728355.db2.gz GAYLREQPEBEUKS-UHFFFAOYSA-N -1 3 555.003 6.499 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001897072 551728621 /nfs/dbraw/zinc/72/86/21/551728621.db2.gz MNGDKBFIEHHTNZ-CCDWMCETSA-N -1 3 574.247 7.611 50 0 KKAAHM [O-]c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1Br ZINC000002087004 551756605 /nfs/dbraw/zinc/75/66/05/551756605.db2.gz XQXYDLQCQGJUON-OAQYLSRUSA-N -1 3 527.831 6.456 50 0 KKAAHM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc(Br)c1[O-] ZINC000002087084 551756820 /nfs/dbraw/zinc/75/68/20/551756820.db2.gz FINBPUIOLBEWLN-JOCHJYFZSA-N -1 3 557.857 6.464 50 0 KKAAHM [O-]c1ccc(Br)c([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)c1 ZINC000002087280 551757050 /nfs/dbraw/zinc/75/70/50/551757050.db2.gz IQQNCQGGSQYFLA-OAQYLSRUSA-N -1 3 511.376 5.941 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc(C)c1-c1ccc(F)cc1 ZINC000002105491 551763285 /nfs/dbraw/zinc/76/32/85/551763285.db2.gz NHBARPNJSIOUBS-UHFFFAOYSA-N -1 3 502.926 6.657 50 0 KKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@H](c1ccc(Br)cc1)S[C@H]3c1ccc(Br)cc1 ZINC000002117811 551769657 /nfs/dbraw/zinc/76/96/57/551769657.db2.gz GJHRLSBKKHYUGN-WBVHZDCISA-N -1 3 565.381 7.581 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccccc1Cl)(C(=O)OC)C(F)(F)F ZINC000002191927 551790461 /nfs/dbraw/zinc/79/04/61/551790461.db2.gz LQHPZJRLXNRQJQ-XMMPIXPASA-N -1 3 554.974 5.827 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000002325489 552095138 /nfs/dbraw/zinc/09/51/38/552095138.db2.gz OINBOBWIHPBJSO-QHAWAJNXSA-N -1 3 528.200 5.263 50 0 KKAAHM 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Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000009235845 553225585 /nfs/dbraw/zinc/22/55/85/553225585.db2.gz DCJJQIWJNHAKIV-UHFFFAOYSA-N -1 3 501.450 5.124 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009243324 553226787 /nfs/dbraw/zinc/22/67/87/553226787.db2.gz VRICVKJQXOAYBY-QHCPKHFHSA-N -1 3 509.791 5.647 50 0 KKAAHM CCOc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009243649 553226827 /nfs/dbraw/zinc/22/68/27/553226827.db2.gz JAZKBTOPMCOZHB-HHHXNRCGSA-N -1 3 503.986 5.902 50 0 KKAAHM COC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(Br)cc3)cc2[O-])cc1 ZINC000009410813 553257396 /nfs/dbraw/zinc/25/73/96/553257396.db2.gz SBSOVQCUHOYTEZ-UHFFFAOYSA-N -1 3 509.356 6.011 50 0 KKAAHM CCc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000009446411 553265517 /nfs/dbraw/zinc/26/55/17/553265517.db2.gz FNYXOXDQQPHAKX-NDEPHWFRSA-N -1 3 502.014 6.103 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679055 553295724 /nfs/dbraw/zinc/29/57/24/553295724.db2.gz RXNORBQOOQKQOL-RUZDIDTESA-N -1 3 520.383 5.615 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679055 553295725 /nfs/dbraw/zinc/29/57/25/553295725.db2.gz RXNORBQOOQKQOL-RUZDIDTESA-N -1 3 520.383 5.615 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679393 553296295 /nfs/dbraw/zinc/29/62/95/553296295.db2.gz QYNVEBKWLXRNIM-AREMUKBSSA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679393 553296297 /nfs/dbraw/zinc/29/62/97/553296297.db2.gz QYNVEBKWLXRNIM-AREMUKBSSA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679361 553296338 /nfs/dbraw/zinc/29/63/38/553296338.db2.gz YSKNKTYHIUFWBP-MHZLTWQESA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679361 553296340 /nfs/dbraw/zinc/29/63/40/553296340.db2.gz YSKNKTYHIUFWBP-MHZLTWQESA-N -1 3 513.550 5.116 50 0 KKAAHM O=C(NCc1ccccc1)c1cc(S(=O)(=O)[N-]CC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl ZINC000012376472 553361445 /nfs/dbraw/zinc/36/14/45/553361445.db2.gz GAYFSMOKSTZWSM-UHFFFAOYSA-N -1 3 507.483 5.418 50 0 KKAAHM COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012533132 553387127 /nfs/dbraw/zinc/38/71/27/553387127.db2.gz RQVPXHJITYTAHL-DTQAZKPQSA-N -1 3 526.058 5.792 50 0 KKAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012562977 553395345 /nfs/dbraw/zinc/39/53/45/553395345.db2.gz YIZLDRFSGBQHHC-UHFFFAOYSA-N -1 3 518.466 5.189 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000012587559 553399886 /nfs/dbraw/zinc/39/98/86/553399886.db2.gz YZYYGTSKDLPPEB-UHFFFAOYSA-N -1 3 530.090 5.132 50 0 KKAAHM CCOC(=O)c1c([N-]c2nc3ccccc3nc2Sc2cccc3cccnc32)sc2c1CCCC2 ZINC000012602671 553402006 /nfs/dbraw/zinc/40/20/06/553402006.db2.gz FNAYBXBRKNRXGR-UHFFFAOYSA-N -1 3 512.660 7.190 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013757502 553488292 /nfs/dbraw/zinc/48/82/92/553488292.db2.gz RLCNXIWLOUMWJM-SVFBPWRDSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013770298 553489454 /nfs/dbraw/zinc/48/94/54/553489454.db2.gz WKXZDSIZVUCERD-DSNGMDLFSA-N -1 3 505.357 6.305 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016971895 553585603 /nfs/dbraw/zinc/58/56/03/553585603.db2.gz GRGYNPLUCYHXNZ-MUUNZHRXSA-N -1 3 517.029 6.309 50 0 KKAAHM CC(C)c1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020154407 553598628 /nfs/dbraw/zinc/59/86/28/553598628.db2.gz WIKOYEXFRAXFSN-LJQANCHMSA-N -1 3 507.475 5.162 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1ccc(-c2ccccc2)o1)CC(=O)O3 ZINC000079188893 553667025 /nfs/dbraw/zinc/66/70/25/553667025.db2.gz VLXUIGXOVLBJAX-HRCOUZOFSA-N -1 3 514.574 6.575 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2ccccc12 ZINC000079191273 553667964 /nfs/dbraw/zinc/66/79/64/553667964.db2.gz ZHIXGGYXRAFOHY-CEUSQNKOSA-N -1 3 528.601 6.477 50 0 KKAAHM C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2ccccc2[nH]c1=O)CC(=O)O3 ZINC000079192434 553668305 /nfs/dbraw/zinc/66/83/05/553668305.db2.gz IOTMUZMRGHPKRE-XGGREVNGSA-N -1 3 515.562 5.157 50 0 KKAAHM CC(C)Oc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079194269 553669284 /nfs/dbraw/zinc/66/92/84/553669284.db2.gz DMZDDSCHMGLEEG-MEZORWJESA-N -1 3 506.595 6.102 50 0 KKAAHM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079195796 553669292 /nfs/dbraw/zinc/66/92/92/553669292.db2.gz PPTKLYXZYIJXTH-ISKYRRHISA-N -1 3 506.551 5.102 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000020608577 553678204 /nfs/dbraw/zinc/67/82/04/553678204.db2.gz LFNNZLRTKZVRLP-UHFFFAOYSA-N -1 3 513.468 6.489 50 0 KKAAHM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000085879519 553689602 /nfs/dbraw/zinc/68/96/02/553689602.db2.gz HHUIWNOORXBLOX-BMSFZJMZSA-N -1 3 598.692 6.945 50 0 KKAAHM O=C1C[C@@H](c2ccccc2OCCc2ccccc2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096221323 553730731 /nfs/dbraw/zinc/73/07/31/553730731.db2.gz QRKQKLYIZDUERZ-VWLOTQADSA-N -1 3 504.538 6.228 50 0 biogenic KKAAHM CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1[O-] ZINC000097464808 553758563 /nfs/dbraw/zinc/75/85/63/553758563.db2.gz BWXCDPYKPPCZTK-OVCLIPMQSA-N -1 3 501.729 5.290 50 0 KKAAHM COC(=O)c1cc(-c2ccccc2)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000097945868 553775205 /nfs/dbraw/zinc/77/52/05/553775205.db2.gz GGZFZZSLADCDFZ-UHFFFAOYSA-N -1 3 537.688 6.120 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000097954102 553821242 /nfs/dbraw/zinc/82/12/42/553821242.db2.gz HXSMBWAGYBRALD-UBFVSLLYSA-N -1 3 549.808 6.414 50 0 KKAAHM Cc1cccc2c1NC(=O)[C@@]21C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000097955167 553829400 /nfs/dbraw/zinc/82/94/00/553829400.db2.gz JRJCDJXJYQTVKJ-PJKQZJAASA-N -1 3 532.427 5.316 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1C ZINC000032974792 553883967 /nfs/dbraw/zinc/88/39/67/553883967.db2.gz BJJTXKGQHNNSQX-UHFFFAOYSA-N -1 3 503.559 5.205 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000033357303 553947849 /nfs/dbraw/zinc/94/78/49/553947849.db2.gz KQQRHJARAAZKCT-XMMPIXPASA-N -1 3 621.467 5.620 50 0 KKAAHM Cc1ccccc1CSC1=N[C@H](c2ccc(Cl)cc2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)N1 ZINC000033357592 553949407 /nfs/dbraw/zinc/94/94/07/553949407.db2.gz MCQJRJIMEMIHAD-FGZHOGPDSA-N -1 3 553.471 6.170 50 0 KKAAHM Cc1ccccc1CSC1=N[C@H](c2ccc(Cl)cc2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)N1 ZINC000033357592 553949411 /nfs/dbraw/zinc/94/94/11/553949411.db2.gz MCQJRJIMEMIHAD-FGZHOGPDSA-N -1 3 553.471 6.170 50 0 KKAAHM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)Nc1ccc(Br)cc1Br ZINC000097971452 553962582 /nfs/dbraw/zinc/96/25/82/553962582.db2.gz YUUUREGJSSDNAL-UHFFFAOYSA-N -1 3 671.578 6.768 50 0 KKAAHM O=C1c2ccccc2C(=CNc2ccc(Cl)cc2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000097980478 553989015 /nfs/dbraw/zinc/98/90/15/553989015.db2.gz HUBISZDKNQOXOL-JJIBRWJFSA-N -1 3 547.995 5.920 50 0 KKAAHM COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000097980630 553990311 /nfs/dbraw/zinc/99/03/11/553990311.db2.gz YHASRHBHTHRTJE-SAPNQHFASA-N -1 3 592.073 6.062 50 0 KKAAHM COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000097987857 554027485 /nfs/dbraw/zinc/02/74/85/554027485.db2.gz RAYAEVOPFQHHKJ-MHZLTWQESA-N -1 3 571.703 5.019 50 0 KKAAHM CCOC(=O)c1c([N-][C@](NC(=O)c2ccccc2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003621 554055422 /nfs/dbraw/zinc/05/54/22/554055422.db2.gz LGTDDKSHNZPKTR-RUZDIDTESA-N -1 3 534.556 5.428 50 0 KKAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2ccc(Cl)cc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000098003687 554056039 /nfs/dbraw/zinc/05/60/39/554056039.db2.gz VTZNGBPIOAMMHE-UHFFFAOYSA-N -1 3 604.935 5.422 50 0 biogenic KKAAHM O=C([N-]c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000035671709 554062527 /nfs/dbraw/zinc/06/25/27/554062527.db2.gz WEQIDZVHLQPQMC-UHFFFAOYSA-N -1 3 520.614 6.849 50 0 KKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CC(C)(C)CC2=O)cc1 ZINC000098009095 554069417 /nfs/dbraw/zinc/06/94/17/554069417.db2.gz SZWAQEBFNSTNEQ-UHFFFAOYSA-N -1 3 596.727 5.632 50 0 KKAAHM COc1ccc(CCOc2nc(-c3ccc(OC)cc3)n(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1 ZINC000098009918 554072163 /nfs/dbraw/zinc/07/21/63/554072163.db2.gz KOISBQKMMDHQTR-UHFFFAOYSA-N -1 3 574.634 5.513 50 0 KKAAHM COc1ccc(CCOc2nc(-c3ccc(OC)cc3)n(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)n2)cc1 ZINC000098009919 554072716 /nfs/dbraw/zinc/07/27/16/554072716.db2.gz MLUDVTBWCUHVHB-UHFFFAOYSA-N -1 3 570.671 5.682 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccco3)C3CCCCC3)c2)cc1 ZINC000035944794 554102263 /nfs/dbraw/zinc/10/22/63/554102263.db2.gz CVODGFNDWFVSFN-UHFFFAOYSA-N -1 3 511.644 5.130 50 0 KKAAHM CCC(CC)C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C1CCCCC1 ZINC000035945178 554102445 /nfs/dbraw/zinc/10/24/45/554102445.db2.gz FUWYPCCHUUTAKU-UHFFFAOYSA-N -1 3 515.720 5.660 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(CC3CC3)C(=O)c3ccccc3Cl)c2)cc1 ZINC000035946139 554102906 /nfs/dbraw/zinc/10/29/06/554102906.db2.gz LDLCREUSRXZCBM-UHFFFAOYSA-N -1 3 528.074 5.268 50 0 KKAAHM CCN1CCN(C(=O)c2cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000098021256 554117423 /nfs/dbraw/zinc/11/74/23/554117423.db2.gz AXJCGTCLDLGFBX-UHFFFAOYSA-N -1 3 614.856 6.863 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000098046749 554143157 /nfs/dbraw/zinc/14/31/57/554143157.db2.gz FOSNTXXTKXWIRK-OAQYLSRUSA-N -1 3 605.666 6.431 50 0 KKAAHM Cc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047859 554156995 /nfs/dbraw/zinc/15/69/95/554156995.db2.gz GMPOJAHKPJBYTD-JOCHJYFZSA-N -1 3 563.129 7.459 50 0 KKAAHM O=C([O-])[C@H](CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100035917 554189695 /nfs/dbraw/zinc/18/96/95/554189695.db2.gz CEOOTQDKDICVJW-QNGWXLTQSA-N -1 3 610.754 7.730 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(Cc4ccccc4)C[C@@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205293 554201151 /nfs/dbraw/zinc/20/11/51/554201151.db2.gz IZAVUFIHELYDMJ-HSZRJFAPSA-N -1 3 505.684 5.447 50 0 KKAAHM COC(=O)C[C@@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000100255976 554264321 /nfs/dbraw/zinc/26/43/21/554264321.db2.gz BOWXYMUUJRDBAD-SFHVURJKSA-N -1 3 565.438 5.121 50 0 KKAAHM COC(=O)C[C@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000100255988 554264378 /nfs/dbraw/zinc/26/43/78/554264378.db2.gz XPMDRMSWKRJHMD-OAHLLOKOSA-N -1 3 571.392 5.391 50 0 KKAAHM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1[O-] ZINC000100343043 554328574 /nfs/dbraw/zinc/32/85/74/554328574.db2.gz YZGLZWLBSNJPOT-VIZOYTHASA-N -1 3 536.174 5.549 50 0 KKAAHM Nc1c2ccc(-c3cccs3)nc2sc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000053353954 554344750 /nfs/dbraw/zinc/34/47/50/554344750.db2.gz JTJXMAJANKBJOJ-UHFFFAOYSA-N -1 3 516.098 6.657 50 0 KKAAHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000100361599 554345630 /nfs/dbraw/zinc/34/56/30/554345630.db2.gz UUNWUUJHDBONLY-UHFFFAOYSA-N -1 3 607.349 6.638 50 0 KKAAHM COc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000059102784 554378434 /nfs/dbraw/zinc/37/84/34/554378434.db2.gz VGXQCAOSXGWRAE-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)c(OC)c1 ZINC000059102784 554378436 /nfs/dbraw/zinc/37/84/36/554378436.db2.gz VGXQCAOSXGWRAE-XMMPIXPASA-N -1 3 524.802 6.260 50 0 KKAAHM CSc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)c1 ZINC000059620341 554413564 /nfs/dbraw/zinc/41/35/64/554413564.db2.gz IYIQQHSFPCDKRJ-UHFFFAOYSA-N -1 3 527.469 5.855 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000059626568 554414930 /nfs/dbraw/zinc/41/49/30/554414930.db2.gz JXJZAYVNKKOLAW-VWLOTQADSA-N -1 3 534.410 5.621 50 0 KKAAHM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000059641250 554416766 /nfs/dbraw/zinc/41/67/66/554416766.db2.gz LHJWIGKHYOQTGI-UHFFFAOYSA-N -1 3 593.727 5.337 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1 ZINC000059651306 554418354 /nfs/dbraw/zinc/41/83/54/554418354.db2.gz OKTRXTWIXCESBX-PMERELPUSA-N -1 3 573.696 5.523 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(F)cc2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000100596609 554430075 /nfs/dbraw/zinc/43/00/75/554430075.db2.gz FYWJWWQPWRZLQL-CABCVRRESA-N -1 3 602.994 6.312 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000100821362 554480705 /nfs/dbraw/zinc/48/07/05/554480705.db2.gz DHEKLKAHFBLVGG-VWLOTQADSA-N -1 3 617.504 5.789 50 0 KKAAHM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000100821364 554480734 /nfs/dbraw/zinc/48/07/34/554480734.db2.gz DHEKLKAHFBLVGG-RUZDIDTESA-N -1 3 617.504 5.789 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084567 554580292 /nfs/dbraw/zinc/58/02/92/554580292.db2.gz JKEBFQKITFQNHM-MPFGFTFXSA-N -1 3 565.423 6.913 50 0 KKAAHM O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101090127 554581616 /nfs/dbraw/zinc/58/16/16/554581616.db2.gz CNRURTAQIHVHLZ-INIZCTEOSA-N -1 3 533.391 5.058 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101141133 554653498 /nfs/dbraw/zinc/65/34/98/554653498.db2.gz VMRLDZUTROYXCR-FCEKVYKBSA-N -1 3 516.594 5.324 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101179982 554666669 /nfs/dbraw/zinc/66/66/69/554666669.db2.gz YBBWWYMELMAGHI-JVPIYLDOSA-N -1 3 508.593 5.723 50 0 KKAAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000101192827 554671355 /nfs/dbraw/zinc/67/13/55/554671355.db2.gz MQOXZOSTXPFLGX-NHICWYPXSA-N -1 3 522.651 6.056 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000101250704 554694108 /nfs/dbraw/zinc/69/41/08/554694108.db2.gz BDKBPVWBEDYCAV-ZKUMYENDSA-N -1 3 541.648 5.001 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000101361446 554743009 /nfs/dbraw/zinc/74/30/09/554743009.db2.gz NKLBVNNNXBHBSV-FPOVZHCZSA-N -1 3 514.301 5.250 50 0 KKAAHM COc1ccc([C@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000101361944 554743234 /nfs/dbraw/zinc/74/32/34/554743234.db2.gz CEIADOUTNKLWDM-GDLZYMKVSA-N -1 3 552.590 7.106 50 0 KKAAHM [O-][C@@]1(C(F)(F)F)CC(c2cccc3ccccc32)=NN1c1nc(-c2ccc(Br)cc2)cs1 ZINC000101388840 554753635 /nfs/dbraw/zinc/75/36/35/554753635.db2.gz DXPZJSZMYYQILX-JOCHJYFZSA-N -1 3 518.358 6.591 50 0 KKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1 ZINC000101762602 554836876 /nfs/dbraw/zinc/83/68/76/554836876.db2.gz SWIVAKJBENTWDL-UHFFFAOYSA-N -1 3 531.613 5.886 50 0 KKAAHM COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000101895593 554846919 /nfs/dbraw/zinc/84/69/19/554846919.db2.gz CTAUMZKFMNWYKK-MUUNZHRXSA-N -1 3 584.101 6.686 50 0 KKAAHM COc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000101895309 554846973 /nfs/dbraw/zinc/84/69/73/554846973.db2.gz DUTREVIRLLMQJS-GDLZYMKVSA-N -1 3 584.101 6.686 50 0 KKAAHM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000101895715 554847127 /nfs/dbraw/zinc/84/71/27/554847127.db2.gz OAIRCFYMOFNZLR-GDLZYMKVSA-N -1 3 568.102 6.986 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000101895708 554847149 /nfs/dbraw/zinc/84/71/49/554847149.db2.gz OAIRCFYMOFNZLR-LJAQVGFWSA-N -1 3 568.102 6.986 50 0 KKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1 ZINC000102278582 554906547 /nfs/dbraw/zinc/90/65/47/554906547.db2.gz ZKAKCNORZHQXAH-UHFFFAOYSA-N -1 3 548.068 6.400 50 0 KKAAHM Cc1ccc(N2C(=O)[C@]3(C)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1Cl ZINC000102663016 555000984 /nfs/dbraw/zinc/00/09/84/555000984.db2.gz SGTAIIVFUJOSCB-SLSDLSHTSA-N -1 3 511.803 5.852 50 0 KKAAHM CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(OC)cc4)n3)cc2)cc1 ZINC000102684655 555006692 /nfs/dbraw/zinc/00/66/92/555006692.db2.gz JYBUUOBNLFIYIK-UHFFFAOYSA-N -1 3 533.654 6.261 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000102731906 555023774 /nfs/dbraw/zinc/02/37/74/555023774.db2.gz KQNQGMTYKQPGDF-RJGXRXQPSA-N -1 3 534.797 5.702 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102736665 555026140 /nfs/dbraw/zinc/02/61/40/555026140.db2.gz QIZQNSIJWGZAPB-PCCBWWKXSA-N -1 3 518.194 5.807 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102737333 555026737 /nfs/dbraw/zinc/02/67/37/555026737.db2.gz AWTMRMZOPKALKI-MPFGFTFXSA-N -1 3 534.568 5.274 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000102753861 555045618 /nfs/dbraw/zinc/04/56/18/555045618.db2.gz WTJIPHOSJJPFAA-KWXIBIRDSA-N -1 3 549.410 6.703 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000102755294 555046964 /nfs/dbraw/zinc/04/69/64/555046964.db2.gz KHQGCGYRQIVSDU-UODIDJSMSA-N -1 3 519.384 6.613 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102757384 555049871 /nfs/dbraw/zinc/04/98/71/555049871.db2.gz YOUZGMQPDKYUSK-MPFGFTFXSA-N -1 3 530.621 5.714 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000102763241 555053731 /nfs/dbraw/zinc/05/37/31/555053731.db2.gz HEIXCPSUDITZCJ-PWRODBHTSA-N -1 3 517.301 5.519 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102768428 555056069 /nfs/dbraw/zinc/05/60/69/555056069.db2.gz ZAFDJCICHZAOBI-ZONZVBGPSA-N -1 3 515.396 6.712 50 0 KKAAHM O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(Cl)cc1Cl ZINC000102880819 555109541 /nfs/dbraw/zinc/10/95/41/555109541.db2.gz ZCFQMZHCESFJHV-UHFFFAOYSA-N -1 3 555.487 5.450 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102884859 555114919 /nfs/dbraw/zinc/11/49/19/555114919.db2.gz MQTZMIAOJDTZAC-NLDZOOGBSA-N -1 3 585.454 6.088 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102886762 555117261 /nfs/dbraw/zinc/11/72/61/555117261.db2.gz VAQHQBSKIMNHHU-JFHPUIQFSA-N -1 3 576.630 5.659 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102888449 555121845 /nfs/dbraw/zinc/12/18/45/555121845.db2.gz KOCHPUKKFCJRIZ-HMYMNELBSA-N -1 3 550.655 5.682 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102890763 555126143 /nfs/dbraw/zinc/12/61/43/555126143.db2.gz XDHCAZPPMAKEJD-IEMSDXTESA-N -1 3 574.608 5.699 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102892646 555129050 /nfs/dbraw/zinc/12/90/50/555129050.db2.gz MNGDKBFIEHHTNZ-UBFVSLLYSA-N -1 3 574.247 7.611 50 0 KKAAHM C[C@H](C(=O)c1cc(Br)ccc1[O-])c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000102909343 555142194 /nfs/dbraw/zinc/14/21/94/555142194.db2.gz AKFCWJXPNPCJAO-INIZCTEOSA-N -1 3 538.467 5.645 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102929879 555156181 /nfs/dbraw/zinc/15/61/81/555156181.db2.gz VSRIDIVLSKGWGY-ZONZVBGPSA-N -1 3 595.460 5.812 50 0 KKAAHM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102939245 555167791 /nfs/dbraw/zinc/16/77/91/555167791.db2.gz JKULYHKRRDFIBT-JOCHJYFZSA-N -1 3 522.520 5.345 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CNC(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1Br ZINC000102992735 555193136 /nfs/dbraw/zinc/19/31/36/555193136.db2.gz OVEAZCMWPHWKED-UHFFFAOYSA-N -1 3 624.513 5.809 50 0 KKAAHM Cc1cc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000102992742 555193227 /nfs/dbraw/zinc/19/32/27/555193227.db2.gz UNJMHOSUTNBXDY-UHFFFAOYSA-N -1 3 603.498 5.569 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000102996424 555195960 /nfs/dbraw/zinc/19/59/60/555195960.db2.gz DUUVICCHYBTFAJ-UHFFFAOYSA-N -1 3 584.101 6.604 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)c1cc2ccccc2oc1=O ZINC000102996427 555195971 /nfs/dbraw/zinc/19/59/71/555195971.db2.gz JGKBKHFHYPEKKU-UHFFFAOYSA-N -1 3 523.998 5.100 50 0 KKAAHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000102999635 555199393 /nfs/dbraw/zinc/19/93/93/555199393.db2.gz ARWWJXROQXDUFT-UHFFFAOYSA-N -1 3 568.504 5.221 50 0 KKAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc(OC)c(OC)c3OC)c2)cc1 ZINC000103001720 555201704 /nfs/dbraw/zinc/20/17/04/555201704.db2.gz LIULUTAFJGGIBY-UHFFFAOYSA-N -1 3 540.682 5.436 50 0 KKAAHM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1=O ZINC000103013200 555207637 /nfs/dbraw/zinc/20/76/37/555207637.db2.gz XXJSWLQYYDKYLS-CTNGQTDRSA-N -1 3 535.666 5.310 50 0 KKAAHM Cc1c2ccccc2oc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2I)c1 ZINC000103013988 555208020 /nfs/dbraw/zinc/20/80/20/555208020.db2.gz IZRJFDHLEHRVPM-UHFFFAOYSA-N -1 3 546.386 5.707 50 0 KKAAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000103025132 555215506 /nfs/dbraw/zinc/21/55/06/555215506.db2.gz UBUGFDQTDHKARO-BHDDXSALSA-N -1 3 531.328 5.827 50 0 KKAAHM O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000103049984 555232226 /nfs/dbraw/zinc/23/22/26/555232226.db2.gz IVLIHMIMQAGFDV-UHFFFAOYSA-N -1 3 574.102 7.212 50 0 KKAAHM COc1cccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)n2-c2ccccc2)c1 ZINC000103124797 555292778 /nfs/dbraw/zinc/29/27/78/555292778.db2.gz SMEGPBZQDPBPSH-UHFFFAOYSA-N -1 3 606.129 6.128 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103513311 555422680 /nfs/dbraw/zinc/42/26/80/555422680.db2.gz FNDYDIKFWGWYQF-LSBIRFPWSA-N -1 3 536.628 5.292 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000103523659 555427676 /nfs/dbraw/zinc/42/76/76/555427676.db2.gz QEIGNHXEFMNDAG-JLMYGFKKSA-N -1 3 543.069 6.319 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21 ZINC000104784452 571386172 /nfs/dbraw/zinc/38/61/72/571386172.db2.gz FULGUTCIYVSNFL-NJYVYQBISA-N -1 3 579.665 5.669 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000105791416 571408546 /nfs/dbraw/zinc/40/85/46/571408546.db2.gz KYLSEIXLSCTXTH-KMDXXIMOSA-N -1 3 562.047 5.392 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000106015166 571410292 /nfs/dbraw/zinc/41/02/92/571410292.db2.gz LTTLZXONYUPTKE-BYBRNZAOSA-N -1 3 571.485 6.911 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000106020766 571410910 /nfs/dbraw/zinc/41/09/10/571410910.db2.gz ABUTVTDZNVYOHY-DYIKCSJPSA-N -1 3 564.594 5.364 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000137536024 571450430 /nfs/dbraw/zinc/45/04/30/571450430.db2.gz ATNWEVGNFUJBPF-FDFHNCONSA-N -1 3 502.876 5.598 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000137834784 571450625 /nfs/dbraw/zinc/45/06/25/571450625.db2.gz VTVNOTGYZLGYBT-OIFRRMEBSA-N -1 3 504.586 5.934 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(OC(F)(F)F)cc1 ZINC000137883552 571450651 /nfs/dbraw/zinc/45/06/51/571450651.db2.gz YUSDUUYSSWYYRK-CCDWMCETSA-N -1 3 504.464 5.790 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000137816678 571450686 /nfs/dbraw/zinc/45/06/86/571450686.db2.gz KJVIXBVZEXEVAM-PCCBWWKXSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000137807943 571450690 /nfs/dbraw/zinc/45/06/90/571450690.db2.gz RLCNXIWLOUMWJM-IRFCIJBXSA-N -1 3 508.188 6.351 50 0 KKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000137838504 571450706 /nfs/dbraw/zinc/45/07/06/571450706.db2.gz PHZGVBIVILFIRP-YTCPBCGMSA-N -1 3 518.569 5.519 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCOCC4)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150393754 571475261 /nfs/dbraw/zinc/47/52/61/571475261.db2.gz PGSNXEAXYPEDJA-UHFFFAOYSA-N -1 3 738.959 7.714 50 0 KKAAHM COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)c2)cc1Cl ZINC000150408063 571480567 /nfs/dbraw/zinc/48/05/67/571480567.db2.gz NNRXBDRTCKHPJM-UHFFFAOYSA-N -1 3 658.198 6.161 50 0 KKAAHM CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000150408358 571480692 /nfs/dbraw/zinc/48/06/92/571480692.db2.gz PISNMNCOCDJEHB-UHFFFAOYSA-N -1 3 639.199 6.209 50 0 KKAAHM COc1cccc(C([O-])=C2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000150411852 571484150 /nfs/dbraw/zinc/48/41/50/571484150.db2.gz QNJZVDBFOWNGGF-DIKLSXIISA-N -1 3 632.716 7.001 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2C2CCCCC2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150412444 571484462 /nfs/dbraw/zinc/48/44/62/571484462.db2.gz INCFKDUZPKWYLS-UHFFFAOYSA-N -1 3 658.912 8.974 50 0 KKAAHM CC(C)OC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)sc2c1CCCC2 ZINC000150441417 571498646 /nfs/dbraw/zinc/49/86/46/571498646.db2.gz KOOGYDLMJPHVHP-UHFFFAOYSA-N -1 3 676.309 7.291 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000150442992 571499208 /nfs/dbraw/zinc/49/92/08/571499208.db2.gz FDJLEYGRIBCKQC-UBFVSLLYSA-N -1 3 631.253 6.909 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000150451121 571502718 /nfs/dbraw/zinc/50/27/18/571502718.db2.gz GJPDXQXDMWPODI-UHFFFAOYSA-N -1 3 645.137 5.068 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000150451167 571502777 /nfs/dbraw/zinc/50/27/77/571502777.db2.gz NUAYNHPQSCNIFG-UHFFFAOYSA-N -1 3 649.578 5.718 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2CC2CCCCC2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000150456594 571504833 /nfs/dbraw/zinc/50/48/33/571504833.db2.gz UUQDCVDBRIVCJC-UHFFFAOYSA-N -1 3 672.939 9.462 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(C(C)C)cc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000150457909 571505290 /nfs/dbraw/zinc/50/52/90/571505290.db2.gz LJACUAQWOVEFHQ-UHFFFAOYSA-N -1 3 641.771 6.528 50 0 KKAAHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@H](C)CCCC(C)C ZINC000150490557 571517156 /nfs/dbraw/zinc/51/71/56/571517156.db2.gz LJCJHJLGTNVQNJ-OAQYLSRUSA-N -1 3 676.692 8.179 50 0 KKAAHM CC(C)CCC[C@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490554 571517259 /nfs/dbraw/zinc/51/72/59/571517259.db2.gz USIKGZIBYAXPBU-NRFANRHFSA-N -1 3 655.246 6.616 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150656760 571526947 /nfs/dbraw/zinc/52/69/47/571526947.db2.gz YIFRWDZXGTYRFT-ISJGIBHGSA-N -1 3 631.253 6.909 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000169676046 571554511 /nfs/dbraw/zinc/55/45/11/571554511.db2.gz BDKBPVWBEDYCAV-ZVEKDXPYSA-N -1 3 541.648 5.001 50 0 KKAAHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261491727 572110477 /nfs/dbraw/zinc/11/04/77/572110477.db2.gz GDMPZJBXTPHWHG-XMMPIXPASA-N -1 3 520.420 5.567 50 0 KKAAHM CC1(C)[C@H](C(=O)[N-][C@@H](NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000226258005 572135381 /nfs/dbraw/zinc/13/53/81/572135381.db2.gz ZUQVMGHOBYQBEX-XOZVTBISSA-N -1 3 592.125 7.049 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000226831730 572142413 /nfs/dbraw/zinc/14/24/13/572142413.db2.gz LNFJRUBUMDHGKF-PCCBWWKXSA-N -1 3 528.200 5.263 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226838711 572143595 /nfs/dbraw/zinc/14/35/95/572143595.db2.gz RXRRNGSZPYTQOJ-FQJHJXCSSA-N -1 3 503.385 5.556 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000226922099 572145453 /nfs/dbraw/zinc/14/54/53/572145453.db2.gz TZKKNIYAEZJSNX-ALBQUZEBSA-N -1 3 537.040 6.258 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227030619 572148384 /nfs/dbraw/zinc/14/83/84/572148384.db2.gz QRFDFRRFGPLMDF-DCMFLLSESA-N -1 3 570.601 6.119 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227084457 572149700 /nfs/dbraw/zinc/14/97/00/572149700.db2.gz FUWAYZYFEKSGHJ-FRXPANAUSA-N -1 3 589.475 7.022 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227085411 572149855 /nfs/dbraw/zinc/14/98/55/572149855.db2.gz NGPGDNUELGEEOY-GXIQWAOMSA-N -1 3 550.655 5.601 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227236676 572151848 /nfs/dbraw/zinc/15/18/48/572151848.db2.gz XDHCAZPPMAKEJD-UIUKDCGCSA-N -1 3 574.608 5.699 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227242570 572152729 /nfs/dbraw/zinc/15/27/29/572152729.db2.gz ULZKVTIAJPOSSB-FRXPANAUSA-N -1 3 599.481 6.478 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000229865076 572162243 /nfs/dbraw/zinc/16/22/43/572162243.db2.gz MVJZENSCQPGAAN-OYUWMTPXSA-N -1 3 640.670 5.290 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229924975 572170460 /nfs/dbraw/zinc/17/04/60/572170460.db2.gz RFPUSBURMCLQQW-KVOHOPFUSA-N -1 3 590.701 6.320 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000229944840 572172677 /nfs/dbraw/zinc/17/26/77/572172677.db2.gz UJKPEIUPKIPDQJ-OJDZSJEKSA-N -1 3 562.622 6.136 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000230033306 572180676 /nfs/dbraw/zinc/18/06/76/572180676.db2.gz AOSBVAHWYYJNOM-ISJGIBHGSA-N -1 3 526.511 5.815 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000245053420 572200751 /nfs/dbraw/zinc/20/07/51/572200751.db2.gz OTRJVMFJVHECLP-OTNCWRBYSA-N -1 3 534.918 5.032 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000245238427 572211925 /nfs/dbraw/zinc/21/19/25/572211925.db2.gz NVSQTSPYGFBEPW-TWJOJJKGSA-N -1 3 530.646 5.472 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245239910 572213541 /nfs/dbraw/zinc/21/35/41/572213541.db2.gz GXIJCBIMSSQPFG-OVDFTCDZSA-N -1 3 537.040 6.258 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000245246435 572219406 /nfs/dbraw/zinc/21/94/06/572219406.db2.gz LRQBUERZYYWJBX-JCYYIGJDSA-N -1 3 575.042 5.467 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245246773 572219959 /nfs/dbraw/zinc/21/99/59/572219959.db2.gz 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ZINC000245310432 572228709 /nfs/dbraw/zinc/22/87/09/572228709.db2.gz JIKZPGGKQQGBMI-CILKRHGOSA-N -1 3 546.026 5.981 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000245312321 572229900 /nfs/dbraw/zinc/22/99/00/572229900.db2.gz UDLZVMLPKSEDRB-FULLSBAXSA-N -1 3 512.650 6.347 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312624 572230167 /nfs/dbraw/zinc/23/01/67/572230167.db2.gz WOOBXIQFTGUXPE-AOFBEVEVSA-N -1 3 541.607 5.336 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cc(Br)ccc1OC)C[C@H](C(C)(C)C)CC2 ZINC000245328150 572234434 /nfs/dbraw/zinc/23/44/34/572234434.db2.gz SKWSTHUBXPHTHA-NEGKNNBRSA-N -1 3 653.595 6.508 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245327795 572234508 /nfs/dbraw/zinc/23/45/08/572234508.db2.gz RFPUSBURMCLQQW-ZPNDBRHUSA-N -1 3 590.701 6.320 50 0 KKAAHM 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CCOC(=O)C(Sc1nc2c(sc(=S)n2-c2c(C)cccc2C)c(=O)n1-c1c(C)cccc1C)=C(C)[O-] ZINC000003018600 552262010 /nfs/dbraw/zinc/26/20/10/552262010.db2.gz SCHCNKNQSYPDNW-NRFANRHFSA-N -1 3 553.731 5.814 50 0 KKAAHM Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003222272 552310905 /nfs/dbraw/zinc/31/09/05/552310905.db2.gz YWDCBRKZFJUPTF-UHFFFAOYSA-N -1 3 503.329 6.374 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003251601 552322414 /nfs/dbraw/zinc/32/24/14/552322414.db2.gz WMMMOVYFLZPWKR-UHFFFAOYSA-N -1 3 553.084 5.488 50 0 KKAAHM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3nnc([N-]c4ccccc4F)s3)cc2)cc1 ZINC000003261481 552326507 /nfs/dbraw/zinc/32/65/07/552326507.db2.gz GDDKQTWCPPYSPI-UHFFFAOYSA-N -1 3 522.671 7.632 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000003271690 552332062 /nfs/dbraw/zinc/33/20/62/552332062.db2.gz PPTVVZNPTXFGPQ-RTBURBONSA-N -1 3 502.640 6.201 50 0 KKAAHM O=c1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000003284158 552336920 /nfs/dbraw/zinc/33/69/20/552336920.db2.gz AKOYFXUHWHMAIB-UHFFFAOYSA-N -1 3 504.965 5.646 50 0 KKAAHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003297627 552344124 /nfs/dbraw/zinc/34/41/24/552344124.db2.gz MBHLRQHWNXBYPL-UHFFFAOYSA-N -1 3 530.140 8.048 50 0 KKAAHM Cc1ccc(CSc2nnc([N-]C(=O)c3oc4ccccc4c3CSCc3ccccc3)s2)cc1 ZINC000003344390 552364199 /nfs/dbraw/zinc/36/41/99/552364199.db2.gz DCCMLOAVKJKIDT-UHFFFAOYSA-N -1 3 517.701 7.571 50 0 KKAAHM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2o1)NC(c1ccccc1)c1ccccc1 ZINC000003368000 552374274 /nfs/dbraw/zinc/37/42/74/552374274.db2.gz FJKYDCAXJBWWRM-UHFFFAOYSA-N -1 3 564.088 6.280 50 0 KKAAHM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)cc12 ZINC000003436378 552386669 /nfs/dbraw/zinc/38/66/69/552386669.db2.gz HSZCMAMGCKQXST-UHFFFAOYSA-N -1 3 537.066 6.410 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656170 552405118 /nfs/dbraw/zinc/40/51/18/552405118.db2.gz LKNSLAALDWVHSR-JOCHJYFZSA-N -1 3 540.341 5.163 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656229 552405334 /nfs/dbraw/zinc/40/53/34/552405334.db2.gz PZVHNZSUHFCAFR-NRFANRHFSA-N -1 3 589.211 5.917 50 0 KKAAHM CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc1Br ZINC000004089634 552434956 /nfs/dbraw/zinc/43/49/56/552434956.db2.gz LJKHQQWLISAVIS-UHFFFAOYSA-N -1 3 540.439 6.105 50 0 KKAAHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000004097427 552436237 /nfs/dbraw/zinc/43/62/37/552436237.db2.gz GHOSNRCGJFBJIB-OAQYLSRUSA-N -1 3 610.671 6.319 50 0 aggregator,fda KKAAHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000004097427 552436240 /nfs/dbraw/zinc/43/62/40/552436240.db2.gz GHOSNRCGJFBJIB-OAQYLSRUSA-N -1 3 610.671 6.319 50 0 aggregator,fda KKAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)NCc2ccccc2)CC1 ZINC000004146299 552442892 /nfs/dbraw/zinc/44/28/92/552442892.db2.gz PDUYZCAHFRVVHP-UHFFFAOYSA-N -1 3 519.711 5.951 50 0 KKAAHM CCN(CC)c1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000004794241 552486109 /nfs/dbraw/zinc/48/61/09/552486109.db2.gz FLPFBOIKJPSVGE-NRFANRHFSA-N -1 3 550.544 5.194 50 0 KKAAHM CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1 ZINC000005949868 552516407 /nfs/dbraw/zinc/51/64/07/552516407.db2.gz WNPUSYNGPHJQBV-QFIPXVFZSA-N -1 3 596.178 6.272 50 0 KKAAHM CN1CCc2ccccc2[C@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102567 552534431 /nfs/dbraw/zinc/53/44/31/552534431.db2.gz FMTODOGGTULXOJ-HSZRJFAPSA-N -1 3 528.518 6.297 50 0 KKAAHM [O-]c1cc(OCc2ccc(Br)cc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000006144050 552545543 /nfs/dbraw/zinc/54/55/43/552545543.db2.gz YSQIAENQLTWNKD-UHFFFAOYSA-N -1 3 523.736 7.463 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(Cl)cc4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000006599734 552601588 /nfs/dbraw/zinc/60/15/88/552601588.db2.gz YTXVLAQWRFJHCV-UHFFFAOYSA-N -1 3 583.419 7.091 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000008399495 553001367 /nfs/dbraw/zinc/00/13/67/553001367.db2.gz KZJOSIBYFYWZPI-UHFFFAOYSA-N -1 3 676.861 6.886 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCC(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000008399495 553001369 /nfs/dbraw/zinc/00/13/69/553001369.db2.gz KZJOSIBYFYWZPI-UHFFFAOYSA-N -1 3 676.861 6.886 50 0 KKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn3c(nc(-c4cc(Br)cs4)cc3C(F)(F)F)c1Br)CCCC2 ZINC000008435275 553030145 /nfs/dbraw/zinc/03/01/45/553030145.db2.gz PMICEMYNZFVMKJ-UHFFFAOYSA-N -1 3 678.350 7.371 50 0 KKAAHM CCCCCCc1cc(-c2nc(NC(=O)c3ccccc3)c(C(=O)OCC)nc2-c2ccc(C)cc2)c([O-])cc1O ZINC000008445176 553053450 /nfs/dbraw/zinc/05/34/50/553053450.db2.gz RTMBESMKZGIVBF-UHFFFAOYSA-N -1 3 553.659 7.082 50 0 KKAAHM O=C1Nc2ccc(Cl)cc2[C@]12[N-]c1ccccc1-c1nnc(SCc3ccc(Cl)cc3)nc1O2 ZINC000008453111 553065464 /nfs/dbraw/zinc/06/54/64/553065464.db2.gz VEKUXUQJZRBJMZ-XMMPIXPASA-N -1 3 508.390 5.747 50 0 KKAAHM COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)c1OC ZINC000008830326 553157910 /nfs/dbraw/zinc/15/79/10/553157910.db2.gz WRPQOSPYXMAFJL-OAQYLSRUSA-N -1 3 590.662 5.209 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000008845454 553165620 /nfs/dbraw/zinc/16/56/20/553165620.db2.gz SLOWVUSXRSLAOF-MHZLTWQESA-N -1 3 521.976 5.688 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109956 553210131 /nfs/dbraw/zinc/21/01/31/553210131.db2.gz RXRRNGSZPYTQOJ-KALPRAJFSA-N -1 3 503.385 5.556 50 0 KKAAHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccccc3Cl)n2)cc1Br ZINC000009109868 553210169 /nfs/dbraw/zinc/21/01/69/553210169.db2.gz HGHPXCAIOGNOHR-UHFFFAOYSA-N -1 3 512.838 5.127 50 0 KKAAHM COc1cccc(CN2C(=O)N(C3CCCCC3)[C@@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)c1OC ZINC000009144966 553214012 /nfs/dbraw/zinc/21/40/12/553214012.db2.gz RFUXAMZUJSWDED-DEOSSOPVSA-N -1 3 502.656 5.112 50 0 KKAAHM CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCc2ccc(OC)cc2)c1 ZINC000009243573 553226934 /nfs/dbraw/zinc/22/69/34/553226934.db2.gz CPPMYCGSZSFWCC-MUUNZHRXSA-N -1 3 518.013 5.939 50 0 KKAAHM COc1ccc(Br)cc1CNCc1c2ccc(C)cc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000009274936 553232573 /nfs/dbraw/zinc/23/25/73/553232573.db2.gz UJYKMHRSUFJUCF-UHFFFAOYSA-N -1 3 511.391 5.896 50 0 KKAAHM CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)[N-]C3=NN=C(c4ccc(C)cc4)CS3)nc21 ZINC000009409361 553257220 /nfs/dbraw/zinc/25/72/20/553257220.db2.gz GVMVYBGCSGNLJS-OAQYLSRUSA-N -1 3 517.684 5.192 50 0 KKAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000009572482 553281303 /nfs/dbraw/zinc/28/13/03/553281303.db2.gz IJKOGMZAGKCUMT-UHFFFAOYSA-N -1 3 501.612 5.722 50 0 KKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000011758387 553342199 /nfs/dbraw/zinc/34/21/99/553342199.db2.gz YETXISNQHUMLDK-UHFFFAOYSA-N -1 3 503.580 5.112 50 0 KKAAHM COC(=O)c1sc2ccccc2c1[N-]C(=O)c1ccc(C(=O)Nc2c3ccccc3sc2C(=O)OC)s1 ZINC000011852705 553345481 /nfs/dbraw/zinc/34/54/81/553345481.db2.gz JXSGXDFQMKVQLB-UHFFFAOYSA-N -1 3 550.639 6.255 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000012559629 553393922 /nfs/dbraw/zinc/39/39/22/553393922.db2.gz UDRFQBKSQWJXQX-UHFFFAOYSA-N -1 3 501.391 7.114 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000013769143 553489222 /nfs/dbraw/zinc/48/92/22/553489222.db2.gz LHOFLAMJQVVUJR-UBFVSLLYSA-N -1 3 515.363 5.760 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013776348 553490083 /nfs/dbraw/zinc/49/00/83/553490083.db2.gz PFQCQWMNQSYIRF-NXCFDTQHSA-N -1 3 506.986 5.579 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1[O-] ZINC000016399407 553562406 /nfs/dbraw/zinc/56/24/06/553562406.db2.gz UAVBUYRAMIRPPE-HXUWFJFHSA-N -1 3 512.743 5.673 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1OC ZINC000017042870 553587135 /nfs/dbraw/zinc/58/71/35/553587135.db2.gz OCHMUUVZVLFWTB-UHFFFAOYSA-N -1 3 505.600 5.399 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)c(C(=O)OCC)c1C ZINC000020137440 553593924 /nfs/dbraw/zinc/59/39/24/553593924.db2.gz DIQYQYRIERVCCM-UHFFFAOYSA-N -1 3 507.362 5.080 50 0 KKAAHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000017838072 553600304 /nfs/dbraw/zinc/60/03/04/553600304.db2.gz WYUHGIYAMHANNI-BDTNDASRSA-N -1 3 513.775 5.162 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000070672875 553603131 /nfs/dbraw/zinc/60/31/31/553603131.db2.gz HRHXHMJILBVTSX-FFAHVWSXSA-N -1 3 531.999 5.591 50 0 biogenic KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018178108 553607466 /nfs/dbraw/zinc/60/74/66/553607466.db2.gz QVOCJQGIFZXWSY-JBOQNHBVSA-N -1 3 522.601 6.078 50 0 KKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c1Oc1ccccc1Br ZINC000071382588 553635786 /nfs/dbraw/zinc/63/57/86/553635786.db2.gz MJLQHHXCSIHLEU-UHFFFAOYSA-N -1 3 530.216 6.987 50 0 KKAAHM COc1ccc2cc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)c(=O)n(C)c2c1 ZINC000079189654 553667322 /nfs/dbraw/zinc/66/73/22/553667322.db2.gz WHZGRPQZFQXLRI-HJKDDCFLSA-N -1 3 559.615 5.176 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC ZINC000079191336 553667956 /nfs/dbraw/zinc/66/79/56/553667956.db2.gz KWAZFLOXEMEBIS-AFYLTPBKSA-N -1 3 538.593 5.341 50 0 KKAAHM CC(C)COc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079190849 553668017 /nfs/dbraw/zinc/66/80/17/553668017.db2.gz DKBSFNHIVVOEDX-VOCRXFRNSA-N -1 3 520.622 6.350 50 0 KKAAHM COc1cc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)ccc1OC(C)C ZINC000079192348 553668410 /nfs/dbraw/zinc/66/84/10/553668410.db2.gz UDIQUFLIKJQJJD-ZOTLUWDBSA-N -1 3 536.621 6.111 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc1OC(C)C ZINC000079192692 553668635 /nfs/dbraw/zinc/66/86/35/553668635.db2.gz JXICOOKDANHSCM-ZOTLUWDBSA-N -1 3 536.621 6.111 50 0 KKAAHM CC(C)c1ccc(COc2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000079193442 553668995 /nfs/dbraw/zinc/66/89/95/553668995.db2.gz SZWSJZAITXKCQL-GJSMGPJWSA-N -1 3 596.720 8.017 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000020608578 553678121 /nfs/dbraw/zinc/67/81/21/553678121.db2.gz JYDCTMUBTQBMLB-UHFFFAOYSA-N -1 3 504.008 5.584 50 0 KKAAHM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NCc3cccs3)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)C1 ZINC000020663638 553686076 /nfs/dbraw/zinc/68/60/76/553686076.db2.gz KVQKPHXROYGMOF-IRXDYDNUSA-N -1 3 519.639 5.557 50 0 KKAAHM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020677833 553687739 /nfs/dbraw/zinc/68/77/39/553687739.db2.gz SJVRYQIZJKYBCC-SANMLTNESA-N -1 3 504.428 5.463 50 0 KKAAHM Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)[N-]c1nnc(SCc2ccccc2Cl)s1 ZINC000095921773 553715298 /nfs/dbraw/zinc/71/52/98/553715298.db2.gz UAAZAPLVFIVYCW-UHFFFAOYSA-N -1 3 511.057 5.990 50 0 KKAAHM O=C1C[C@H](c2ccccc2OCCc2ccccc2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000096221325 553730727 /nfs/dbraw/zinc/73/07/27/553730727.db2.gz QRKQKLYIZDUERZ-RUZDIDTESA-N -1 3 504.538 6.228 50 0 biogenic KKAAHM COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CSc2ccc(Br)cc2)cc(=O)c1[O-] ZINC000096335878 553752368 /nfs/dbraw/zinc/75/23/68/553752368.db2.gz GRJWEBYZJQZIJP-MRXNPFEDSA-N -1 3 511.340 5.373 50 0 KKAAHM CCCCCOP(=O)(OCCCCC)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(C(=O)OCC)C(F)(F)F ZINC000097949792 553803114 /nfs/dbraw/zinc/80/31/14/553803114.db2.gz FTOSSQUZUWWQDE-OAQYLSRUSA-N -1 3 545.557 5.702 50 0 KKAAHM CC(=O)[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585138 553812239 /nfs/dbraw/zinc/81/22/39/553812239.db2.gz NIGWSUXVINZRPB-VEEOACQBSA-N -1 3 517.625 6.538 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000097954079 553821201 /nfs/dbraw/zinc/82/12/01/553821201.db2.gz HMGCWYIVECWVQW-UBFVSLLYSA-N -1 3 539.802 6.958 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954487 553823517 /nfs/dbraw/zinc/82/35/17/553823517.db2.gz UUZJMAIIODEPQS-IARZGTGTSA-N -1 3 538.531 5.105 50 0 KKAAHM Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000029493029 553846062 /nfs/dbraw/zinc/84/60/62/553846062.db2.gz ARVFEXZLMYLVEX-UHFFFAOYSA-N -1 3 666.181 5.016 50 0 KKAAHM CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c1csc2[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000097958228 553852469 /nfs/dbraw/zinc/85/24/69/553852469.db2.gz PPGRLTKNXHBBOK-UHFFFAOYSA-N -1 3 552.971 5.632 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000032593676 553869675 /nfs/dbraw/zinc/86/96/75/553869675.db2.gz WLCFQLOYEICNEV-XMMPIXPASA-N -1 3 518.411 5.618 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000033353401 553925124 /nfs/dbraw/zinc/92/51/24/553925124.db2.gz KCZLKDZUKSRPLH-UHFFFAOYSA-N -1 3 661.042 7.295 50 0 KKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000033355628 553935799 /nfs/dbraw/zinc/93/57/99/553935799.db2.gz CNFSXFKUSUJXBE-WJOKGBTCSA-N -1 3 571.724 6.131 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000097981361 553993574 /nfs/dbraw/zinc/99/35/74/553993574.db2.gz IJZQJOGNDUMFOO-UHFFFAOYSA-N -1 3 574.728 6.697 50 0 KKAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OCC(=O)Nc4ccccc4Cl)c(OC)c3)nc(=O)c2c1C ZINC000097981640 553996025 /nfs/dbraw/zinc/99/60/25/553996025.db2.gz LQFSFVJHYFUOPQ-YBEGLDIGSA-N -1 3 574.442 5.908 50 0 KKAAHM O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1)c1ccccc1Br ZINC000097982344 554001483 /nfs/dbraw/zinc/00/14/83/554001483.db2.gz FYJLLXYXRXPKCG-UHFFFAOYSA-N -1 3 593.956 5.630 50 0 KKAAHM O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000097983611 554010349 /nfs/dbraw/zinc/01/03/49/554010349.db2.gz JNFKNWIBLYORJA-XWFQURHXSA-N -1 3 603.895 9.306 50 0 KKAAHM O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000097983611 554010351 /nfs/dbraw/zinc/01/03/51/554010351.db2.gz JNFKNWIBLYORJA-XWFQURHXSA-N -1 3 603.895 9.306 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)co2)s1)c1cccs1 ZINC000097990892 554029720 /nfs/dbraw/zinc/02/97/20/554029720.db2.gz DYOZRZYJJDRTPZ-UHFFFAOYSA-N -1 3 607.535 6.354 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3Cl)co2)s1)c1cccs1 ZINC000097990884 554029830 /nfs/dbraw/zinc/02/98/30/554029830.db2.gz FAUFBRQHVWIPNK-UHFFFAOYSA-N -1 3 540.431 5.623 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cccc(C(F)(F)F)c3)co2)s1)c1cccs1 ZINC000097990890 554029840 /nfs/dbraw/zinc/02/98/40/554029840.db2.gz NBJQQSFKPFZWMP-UHFFFAOYSA-N -1 3 539.538 5.335 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cccc4ccccc43)co2)s1)c1cccs1 ZINC000097990893 554029859 /nfs/dbraw/zinc/02/98/59/554029859.db2.gz KPTUYBBGIZXELW-UHFFFAOYSA-N -1 3 521.601 5.470 50 0 KKAAHM CCOc1cc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc(OCC)c1OCC ZINC000097990880 554029922 /nfs/dbraw/zinc/02/99/22/554029922.db2.gz MFIFXBMYFPILDB-UHFFFAOYSA-N -1 3 603.700 5.513 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(OC)c(OC)c2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000097999664 554045008 /nfs/dbraw/zinc/04/50/08/554045008.db2.gz PAFZQTBMMFUQNN-YOEHRIQHSA-N -1 3 645.056 6.190 50 0 KKAAHM CCOC(=O)c1c([N-][C@](NC(=O)c2ccccc2OC)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003615 554055457 /nfs/dbraw/zinc/05/54/57/554055457.db2.gz FAXKGIFOXVGFFS-AREMUKBSSA-N -1 3 564.582 5.436 50 0 KKAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)no2)cc1 ZINC000035671706 554062559 /nfs/dbraw/zinc/06/25/59/554062559.db2.gz XOXMCTHPVSVLHF-UHFFFAOYSA-N -1 3 510.575 6.368 50 0 KKAAHM COc1ccc(-c2cc(-c3ccc(C)c(C)c3)nc3sc(C(=O)[N-]c4nsc(-c5ccc(Cl)cc5)n4)c(N)c32)cc1OC ZINC000098009738 554070852 /nfs/dbraw/zinc/07/08/52/554070852.db2.gz GXNPEFAXXGJKBZ-UHFFFAOYSA-N -1 3 628.179 8.271 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(OCC(C)C)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000098015744 554101856 /nfs/dbraw/zinc/10/18/56/554101856.db2.gz XADHWUFIIQAZJY-UHFFFAOYSA-N -1 3 530.572 6.097 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccc(F)cc3)[C@@H](C)c3ccccc3)c2)cc1 ZINC000098020168 554117159 /nfs/dbraw/zinc/11/71/59/554117159.db2.gz HPWGWWDYSHSEFP-QFIPXVFZSA-N -1 3 561.679 6.105 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1cccc(Br)c1)c1ccccc1OCc1ccccc1 ZINC000098045876 554134386 /nfs/dbraw/zinc/13/43/86/554134386.db2.gz ZMFCFUJHYWOMSI-SANMLTNESA-N -1 3 654.302 6.544 50 0 KKAAHM COc1ccc(S(=O)(=O)Nc2ccc(-c3c(-c4cccc(C)c4)[n-]n(-c4ccc(C)cc4)c3=O)cc2)cc1 ZINC000036083930 554175647 /nfs/dbraw/zinc/17/56/47/554175647.db2.gz NHDGLEDMXHYVIH-UHFFFAOYSA-N -1 3 525.630 6.338 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3C(=O)N(c4ccc(C)cc4)N=C3c3cccc(C)c3)cc2)cc1 ZINC000036083930 554175648 /nfs/dbraw/zinc/17/56/48/554175648.db2.gz NHDGLEDMXHYVIH-UHFFFAOYSA-N -1 3 525.630 6.338 50 0 KKAAHM O=c1c2cc(I)ccc2nc(/C=C/c2cc(Br)ccc2[O-])n1CCc1ccccc1 ZINC000100026549 554183853 /nfs/dbraw/zinc/18/38/53/554183853.db2.gz CCTLLQDBBPNODQ-IZZDOVSWSA-N -1 3 573.228 5.882 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1[O-] ZINC000100228746 554254393 /nfs/dbraw/zinc/25/43/93/554254393.db2.gz WSFNNWGOKKBTEE-CXUHLZMHSA-N -1 3 560.207 5.395 50 0 KKAAHM COC(=O)C[C@@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2F)cc(=O)c1[O-] ZINC000100255992 554264313 /nfs/dbraw/zinc/26/43/13/554264313.db2.gz XPMDRMSWKRJHMD-HNNXBMFYSA-N -1 3 571.392 5.391 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000059103177 554379062 /nfs/dbraw/zinc/37/90/62/554379062.db2.gz BQAZGAJNMCLQGI-RUZDIDTESA-N -1 3 532.394 5.774 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000059103177 554379065 /nfs/dbraw/zinc/37/90/65/554379065.db2.gz BQAZGAJNMCLQGI-RUZDIDTESA-N -1 3 532.394 5.774 50 0 KKAAHM Cc1cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)ccc1Br ZINC000059515053 554402026 /nfs/dbraw/zinc/40/20/26/554402026.db2.gz NVISBZLZAPNWRI-QGZVFWFLSA-N -1 3 558.317 5.110 50 0 KKAAHM CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c2ccc(C)cc2)cc1 ZINC000059641239 554416930 /nfs/dbraw/zinc/41/69/30/554416930.db2.gz AWHWBGBBJDAFGP-UHFFFAOYSA-N -1 3 609.795 5.969 50 0 KKAAHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000059651280 554418263 /nfs/dbraw/zinc/41/82/63/554418263.db2.gz NDZLEMNGPAQHHC-UHFFFAOYSA-N -1 3 541.673 5.615 50 0 KKAAHM O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000059651932 554419286 /nfs/dbraw/zinc/41/92/86/554419286.db2.gz CQTVAEDAEULREY-UHFFFAOYSA-N -1 3 526.401 5.546 50 0 KKAAHM CCCCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc(Br)cc4)c-3c2=O)cc1 ZINC000100867267 554497114 /nfs/dbraw/zinc/49/71/14/554497114.db2.gz ALSVEORGJHSDRM-NOZRDPDXSA-N -1 3 518.411 5.411 50 0 KKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(Br)cc4)cc3)n2)cc1 ZINC000100957615 554540407 /nfs/dbraw/zinc/54/04/07/554540407.db2.gz SRJOEQFUWDQMBW-UHFFFAOYSA-N -1 3 524.444 6.144 50 0 KKAAHM Cc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(I)cc4)cc3)n2)cc1 ZINC000100957595 554540454 /nfs/dbraw/zinc/54/04/54/554540454.db2.gz JKDBRIJKJWXLKD-UHFFFAOYSA-N -1 3 571.444 5.986 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000101075950 554577546 /nfs/dbraw/zinc/57/75/46/554577546.db2.gz WFEJDWMJQSCMGU-ZONZVBGPSA-N -1 3 605.466 5.268 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101099559 554586415 /nfs/dbraw/zinc/58/64/15/554586415.db2.gz VEBFZECWXXXTMH-PFBJBMPXSA-N -1 3 521.013 5.969 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000101150486 554657059 /nfs/dbraw/zinc/65/70/59/554657059.db2.gz XURFVSLLBIIBID-UUQNIDNHSA-N -1 3 546.648 6.003 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000101152519 554657836 /nfs/dbraw/zinc/65/78/36/554657836.db2.gz LMJKUQKVRQKBDU-PFBJBMPXSA-N -1 3 542.950 5.749 50 0 KKAAHM COc1ccc([C@H]2c3c4nc(-c5ccc6ccccc6c5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1 ZINC000101171536 554661785 /nfs/dbraw/zinc/66/17/85/554661785.db2.gz JBKLZVWVXIYWEH-HHHXNRCGSA-N -1 3 522.564 7.098 50 0 KKAAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000101185211 554668954 /nfs/dbraw/zinc/66/89/54/554668954.db2.gz WRHSBJXEQMDBBO-JVPIYLDOSA-N -1 3 525.048 6.319 50 0 KKAAHM O=C(c1ccccc1)C1=C(Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000101333812 554733905 /nfs/dbraw/zinc/73/39/05/554733905.db2.gz PMTXGVBITKHZLP-QAWLXJPGSA-N -1 3 511.283 5.657 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101342476 554735922 /nfs/dbraw/zinc/73/59/22/554735922.db2.gz BHAUNPDRZCCCNU-NSBPXKJOSA-N -1 3 531.439 6.254 50 0 KKAAHM CCc1ccc([C@@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000101344572 554736848 /nfs/dbraw/zinc/73/68/48/554736848.db2.gz JGIWGDCDUDXGTP-JOCHJYFZSA-N -1 3 533.675 6.494 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101359091 554741585 /nfs/dbraw/zinc/74/15/85/554741585.db2.gz KPQPZBXYSSOLFS-HEFUCBFLSA-N -1 3 544.582 5.690 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000101361445 554743051 /nfs/dbraw/zinc/74/30/51/554743051.db2.gz NKLBVNNNXBHBSV-PZJWPPBQSA-N -1 3 514.301 5.250 50 0 KKAAHM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000101430020 554770088 /nfs/dbraw/zinc/77/00/88/554770088.db2.gz CBGAENGUORWECQ-SFHVURJKSA-N -1 3 574.528 5.257 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101669648 554823094 /nfs/dbraw/zinc/82/30/94/554823094.db2.gz SHTPDBKUWALGMG-PFBJBMPXSA-N -1 3 565.464 6.078 50 0 KKAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[C@H](c2ccccc2F)C1 ZINC000101895760 554847174 /nfs/dbraw/zinc/84/71/74/554847174.db2.gz HGQIILSCDXHDOJ-NDEPHWFRSA-N -1 3 572.065 6.817 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102085279 554876386 /nfs/dbraw/zinc/87/63/86/554876386.db2.gz FDCZYOXXXBUMBF-QHAWAJNXSA-N -1 3 531.417 5.509 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc(I)c1[O-] ZINC000102089188 554877219 /nfs/dbraw/zinc/87/72/19/554877219.db2.gz LQHSZEPHOATKTF-RBZFPXEDSA-N -1 3 540.467 6.427 50 0 KKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc(I)c1[O-] ZINC000102089191 554877233 /nfs/dbraw/zinc/87/72/33/554877233.db2.gz LQHSZEPHOATKTF-ZUOKHONESA-N -1 3 540.467 6.427 50 0 KKAAHM COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000102221393 554899377 /nfs/dbraw/zinc/89/93/77/554899377.db2.gz YWFARBQNEUPXNQ-UHFFFAOYSA-N -1 3 539.617 5.446 50 0 KKAAHM Cc1sc2[n-]c(CSc3nnc(COc4ccc(Cl)cc4)n3Cc3ccco3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000102273868 554906102 /nfs/dbraw/zinc/90/61/02/554906102.db2.gz HGQTUYUCUHQRMO-UHFFFAOYSA-N -1 3 590.130 7.026 50 0 KKAAHM CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C5CCCCC5)cc4)ccc3n2)CC1 ZINC000102314288 554910515 /nfs/dbraw/zinc/91/05/15/554910515.db2.gz ZLEPBWCXKHRRBU-UHFFFAOYSA-N -1 3 536.698 5.314 50 0 KKAAHM CC[C@H]1C(=S)NC(=O)C([C@@H](c2ccc(OC)c(CN3CCCCC3)c2)C2C(=O)NC(=S)[C@@H](CC)C2=O)=C1[O-] ZINC000102505106 554944347 /nfs/dbraw/zinc/94/43/47/554944347.db2.gz ULPAHMXLWFESAI-OPVJXMOQSA-N -1 3 557.738 5.178 50 0 KKAAHM CC[C@@H]1C(=O)C([C@@H](c2ccc(OC)c(CN3CCCCC3)c2)C2=C([O-])[C@H](CC)C(=S)NC2=O)C(=O)NC1=S ZINC000102505106 554944348 /nfs/dbraw/zinc/94/43/48/554944348.db2.gz ULPAHMXLWFESAI-OPVJXMOQSA-N -1 3 557.738 5.178 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548901 554960590 /nfs/dbraw/zinc/96/05/90/554960590.db2.gz GHMKCJIKFYKHBK-IANDGLOUSA-N -1 3 576.674 6.012 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548896 554960605 /nfs/dbraw/zinc/96/06/05/554960605.db2.gz GHMKCJIKFYKHBK-CDACFMRSSA-N -1 3 576.674 6.012 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102562533 554968694 /nfs/dbraw/zinc/96/86/94/554968694.db2.gz ZDHMENHNRNTZHL-KWXIBIRDSA-N -1 3 561.015 5.159 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000102700172 555012726 /nfs/dbraw/zinc/01/27/26/555012726.db2.gz APKLHLAVYDYDED-RUZDIDTESA-N -1 3 548.690 5.934 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102738238 555026980 /nfs/dbraw/zinc/02/69/80/555026980.db2.gz HMGCWYIVECWVQW-CCDWMCETSA-N -1 3 539.802 6.958 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102739031 555027671 /nfs/dbraw/zinc/02/76/71/555027671.db2.gz DCMUYFQVYOWONS-TWJOJJKGSA-N -1 3 506.986 5.579 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102746335 555038587 /nfs/dbraw/zinc/03/85/87/555038587.db2.gz YOVKUQJTLIWORX-CCDWMCETSA-N -1 3 523.347 6.444 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000102752001 555044893 /nfs/dbraw/zinc/04/48/93/555044893.db2.gz XVOPXTZPMAYANC-HZFUHODCSA-N -1 3 504.542 5.265 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000102757405 555049998 /nfs/dbraw/zinc/04/99/98/555049998.db2.gz BDMBIHLTYMNYJJ-PWRODBHTSA-N -1 3 508.188 6.351 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102763360 555053756 /nfs/dbraw/zinc/05/37/56/555053756.db2.gz CMVWLEGROGMBLI-ZONZVBGPSA-N -1 3 504.558 5.454 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000102766876 555055515 /nfs/dbraw/zinc/05/55/15/555055515.db2.gz YLDPQEKCJYKKRK-TZRRMPRUSA-N -1 3 507.384 5.289 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000102860556 555090572 /nfs/dbraw/zinc/09/05/72/555090572.db2.gz NYWSEYZHPZROSX-RJGXRXQPSA-N -1 3 591.900 6.425 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860575 555090661 /nfs/dbraw/zinc/09/06/61/555090661.db2.gz WIVDQADKGXYRHZ-PCCBWWKXSA-N -1 3 565.862 6.163 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860609 555090887 /nfs/dbraw/zinc/09/08/87/555090887.db2.gz ODXIADHJUOJQLU-FDFHNCONSA-N -1 3 545.444 5.900 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(C)cc1 ZINC000102863225 555092822 /nfs/dbraw/zinc/09/28/22/555092822.db2.gz ZIJMFWKGPORGGN-FDFHNCONSA-N -1 3 510.999 5.164 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102875608 555105546 /nfs/dbraw/zinc/10/55/46/555105546.db2.gz JSTBIZGEHTYPEI-ZONZVBGPSA-N -1 3 595.460 5.812 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102891897 555128208 /nfs/dbraw/zinc/12/82/08/555128208.db2.gz TXPDZRGFCPSHFU-HKFRAXQBSA-N -1 3 562.647 5.621 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102892361 555128715 /nfs/dbraw/zinc/12/87/15/555128715.db2.gz NTYZTCUSRHTOFQ-LSBIRFPWSA-N -1 3 571.073 5.946 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102892898 555129578 /nfs/dbraw/zinc/12/95/78/555129578.db2.gz JLXABJXTIHIMBM-KCIBBDPESA-N -1 3 565.094 6.956 50 0 KKAAHM COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000102910328 555142716 /nfs/dbraw/zinc/14/27/16/555142716.db2.gz QTIPIEDCOGDDPQ-YPAWHYETSA-N -1 3 530.886 5.197 50 0 KKAAHM CCOC(=O)c1c(C)oc2nc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)[n-]c(=O)c21 ZINC000102915559 555143924 /nfs/dbraw/zinc/14/39/24/555143924.db2.gz VIMXZIBCZZVEJU-UHFFFAOYSA-N -1 3 543.649 5.839 50 0 KKAAHM CCOc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(Cc4ccccc4)c4ccccc4N32)cc(Br)c1[O-] ZINC000102923619 555148061 /nfs/dbraw/zinc/14/80/61/555148061.db2.gz HTXRWHXMOAMJJD-SSEXGKCCSA-N -1 3 606.524 7.665 50 0 KKAAHM CCOc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(Cc4ccccc4)c4ccccc4N32)cc(Br)c1[O-] ZINC000102923622 555148088 /nfs/dbraw/zinc/14/80/88/555148088.db2.gz HTXRWHXMOAMJJD-PMERELPUSA-N -1 3 606.524 7.665 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000102935385 555162753 /nfs/dbraw/zinc/16/27/53/555162753.db2.gz CMINEFLNWWJYNF-PTGBLXJZSA-N -1 3 598.121 6.357 50 0 KKAAHM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000102959489 555174968 /nfs/dbraw/zinc/17/49/68/555174968.db2.gz KXDVNFSMPZDMOY-IBGZPJMESA-N -1 3 582.103 5.533 50 0 KKAAHM COc1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc(OC)c1OC ZINC000102966489 555180372 /nfs/dbraw/zinc/18/03/72/555180372.db2.gz XKUWCGXUIHVZSN-UHFFFAOYSA-N -1 3 560.072 5.409 50 0 KKAAHM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1S(=O)(=O)N(C)C ZINC000102974581 555184109 /nfs/dbraw/zinc/18/41/09/555184109.db2.gz NPAXKWSJUYCSQS-UHFFFAOYSA-N -1 3 576.911 5.259 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)c2)cc1 ZINC000102974597 555184327 /nfs/dbraw/zinc/18/43/27/555184327.db2.gz KNDBLKASNKIOCS-GOTSBHOMSA-N -1 3 626.801 5.015 50 0 KKAAHM COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)c3ccccc3n2)cc1 ZINC000102976519 555186432 /nfs/dbraw/zinc/18/64/32/555186432.db2.gz OTVXXWPANHSAGW-UHFFFAOYSA-N -1 3 578.477 7.270 50 0 KKAAHM COc1ccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102994104 555193986 /nfs/dbraw/zinc/19/39/86/555193986.db2.gz PUQUVFBCOZTJKH-UHFFFAOYSA-N -1 3 586.091 5.403 50 0 KKAAHM O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000103000601 555200270 /nfs/dbraw/zinc/20/02/70/555200270.db2.gz RGZORETWVVLYAQ-UHFFFAOYSA-N -1 3 548.020 5.309 50 0 KKAAHM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1=O ZINC000103013195 555207730 /nfs/dbraw/zinc/20/77/30/555207730.db2.gz XXJSWLQYYDKYLS-PZJWPPBQSA-N -1 3 535.666 5.310 50 0 KKAAHM COc1ccc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000103026762 555216735 /nfs/dbraw/zinc/21/67/35/555216735.db2.gz FLCQZGOCTYYIBW-UHFFFAOYSA-N -1 3 597.413 5.574 50 0 KKAAHM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000103048437 555229896 /nfs/dbraw/zinc/22/98/96/555229896.db2.gz ZINOKLXVWJQGTC-UHFFFAOYSA-N -1 3 523.964 6.012 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cccc(Oc2ccccc2)c1 ZINC000103049980 555232202 /nfs/dbraw/zinc/23/22/02/555232202.db2.gz HDRWKMUPXCJQQF-UHFFFAOYSA-N -1 3 562.091 7.176 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)C(c1ccccc1)c1ccccc1 ZINC000103049975 555232252 /nfs/dbraw/zinc/23/22/52/555232252.db2.gz BXDATPMYVIEOHG-UHFFFAOYSA-N -1 3 560.119 6.902 50 0 KKAAHM CCOC([O-])=NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000103079330 555258135 /nfs/dbraw/zinc/25/81/35/555258135.db2.gz OFUMJROVQYFOMP-CBXNMNPBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)[N-]C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000103079330 555258137 /nfs/dbraw/zinc/25/81/37/555258137.db2.gz OFUMJROVQYFOMP-CBXNMNPBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOc1ccccc1-n1c(S[C@H](C)c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nc2ccccc2c1=O ZINC000103083119 555261970 /nfs/dbraw/zinc/26/19/70/555261970.db2.gz IYYQZJASXUZVPV-GOSISDBHSA-N -1 3 552.681 6.603 50 0 KKAAHM CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3nc4scc(-c5cccs5)c4c(=O)[n-]3)cc2)cc1 ZINC000103124003 555291837 /nfs/dbraw/zinc/29/18/37/555291837.db2.gz DIOVEWORJXXAEG-UHFFFAOYSA-N -1 3 561.754 7.924 50 0 KKAAHM CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)c(Cl)cc1Cl ZINC000103136292 555306374 /nfs/dbraw/zinc/30/63/74/555306374.db2.gz BJDMEGHKCDGITQ-UHFFFAOYSA-N -1 3 547.545 5.579 50 0 KKAAHM CCOC(=O)c1sc2nc([C@H](C)OC(=O)c3sc4c(ccc(OC)c4Cl)c3Cl)[n-]c(=O)c2c1C ZINC000103137178 555307161 /nfs/dbraw/zinc/30/71/61/555307161.db2.gz FMMMKEZAQPPMRQ-VIFPVBQESA-N -1 3 541.434 5.918 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCN(C(=O)C4CCCC4)CC3)c(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000103365190 555365626 /nfs/dbraw/zinc/36/56/26/555365626.db2.gz JDAZBSNDKZJZIY-UHFFFAOYSA-N -1 3 592.737 5.094 50 0 KKAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000104784323 571386073 /nfs/dbraw/zinc/38/60/73/571386073.db2.gz UPXBEVAYFJAZCX-BHIFYINESA-N -1 3 559.247 5.324 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000106019178 571410670 /nfs/dbraw/zinc/41/06/70/571410670.db2.gz CGUYSYHDJNQRAM-JCYYIGJDSA-N -1 3 572.976 5.758 50 0 KKAAHM COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c31)c(=O)n2CC(C)C ZINC000108447907 571423882 /nfs/dbraw/zinc/42/38/82/571423882.db2.gz SAAJEBDNFWVZJQ-QHCPKHFHSA-N -1 3 537.568 5.586 50 0 biogenic KKAAHM O=C1C[C@@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108448535 571424363 /nfs/dbraw/zinc/42/43/63/571424363.db2.gz DNRIPOYQRVHXGT-SANMLTNESA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000108521696 571426038 /nfs/dbraw/zinc/42/60/38/571426038.db2.gz MQOXZOSTXPFLGX-YRIIQKNPSA-N -1 3 522.651 6.056 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)F)cc1 ZINC000136035789 571449254 /nfs/dbraw/zinc/44/92/54/571449254.db2.gz RVRWYUMQGDPBPJ-PWRODBHTSA-N -1 3 504.411 5.358 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000137833790 571450696 /nfs/dbraw/zinc/45/06/96/571450696.db2.gz HOFYLJBFMFOMSY-HZFUHODCSA-N -1 3 504.542 5.265 50 0 KKAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000137950835 571450837 /nfs/dbraw/zinc/45/08/37/571450837.db2.gz APJKPZYGRPGHCC-BHDDXSALSA-N -1 3 513.775 5.162 50 0 KKAAHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F ZINC000150372345 571465951 /nfs/dbraw/zinc/46/59/51/571465951.db2.gz PPUPUTQAJAIAIF-UHFFFAOYSA-N -1 3 662.929 8.013 50 0 KKAAHM CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000150408297 571480631 /nfs/dbraw/zinc/48/06/31/571480631.db2.gz UUAJNWUCSSCCGO-UHFFFAOYSA-N -1 3 655.198 5.445 50 0 KKAAHM O=c1[n-]c(CSc2nc3c(c(=O)n2Cc2ccccc2)C2(CCCCC2)Cc2ccccc2-3)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000150414012 571485000 /nfs/dbraw/zinc/48/50/00/571485000.db2.gz WDMGWBAQRUYSNP-UHFFFAOYSA-N -1 3 652.864 8.539 50 0 KKAAHM COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000150419781 571487133 /nfs/dbraw/zinc/48/71/33/571487133.db2.gz VBDUQOONRHFJQB-RUZDIDTESA-N -1 3 633.503 5.489 50 0 KKAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 ZINC000150451237 571502658 /nfs/dbraw/zinc/50/26/58/571502658.db2.gz ZCOIZDLXELYTGA-UHFFFAOYSA-N -1 3 811.380 7.807 50 0 KKAAHM Cc1ccccc1-n1c(=O)c2c(nc1SCc1nc3c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-3)-c1ccccc1CC21CCCCC1 ZINC000150451900 571503243 /nfs/dbraw/zinc/50/32/43/571503243.db2.gz PWRABBOJRQSAFK-UHFFFAOYSA-N -1 3 652.864 8.789 50 0 KKAAHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@@H](C)CCCC(C)C ZINC000150474253 571510528 /nfs/dbraw/zinc/51/05/28/571510528.db2.gz HAWVCJZWSOIDLW-DEOSSOPVSA-N -1 3 640.275 8.134 50 0 KKAAHM Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1[C@H](C)CCCC(C)C ZINC000150474254 571510549 /nfs/dbraw/zinc/51/05/49/571510549.db2.gz HAWVCJZWSOIDLW-XMMPIXPASA-N -1 3 640.275 8.134 50 0 KKAAHM CC(C)CCC[C@@H](C)n1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000150490544 571517006 /nfs/dbraw/zinc/51/70/06/571517006.db2.gz POVMAPCTYNUMTA-OAQYLSRUSA-N -1 3 646.666 8.171 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCCC4)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150541159 571520572 /nfs/dbraw/zinc/52/05/72/571520572.db2.gz LTSDWZTVMYZZLM-PGUFJCEWSA-N -1 3 722.960 7.752 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150648999 571525273 /nfs/dbraw/zinc/52/52/73/571525273.db2.gz WAFWNJKJZKCBQE-MPFGFTFXSA-N -1 3 654.344 7.395 50 0 KKAAHM CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000169698912 571558765 /nfs/dbraw/zinc/55/87/65/571558765.db2.gz DEHVEXZFSINEGX-RJGXRXQPSA-N -1 3 589.273 5.415 50 0 KKAAHM COC(=O)C[C@H](c1ccc(OCCc2ccc(OC)cc2)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263584969 572115938 /nfs/dbraw/zinc/11/59/38/572115938.db2.gz CMVANRIWUDLNGC-GDLZYMKVSA-N -1 3 659.732 5.255 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000226831461 572142539 /nfs/dbraw/zinc/14/25/39/572142539.db2.gz XAOMMBHBNKOFIG-PCCBWWKXSA-N -1 3 517.301 5.519 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000226832091 572142880 /nfs/dbraw/zinc/14/28/80/572142880.db2.gz VRNAWRRLTGUUOX-CCDWMCETSA-N -1 3 523.347 6.444 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226821201 572142906 /nfs/dbraw/zinc/14/29/06/572142906.db2.gz DCMUYFQVYOWONS-JIMJEQGWSA-N -1 3 506.986 5.579 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000226838664 572143409 /nfs/dbraw/zinc/14/34/09/572143409.db2.gz JNONEFZBHJQXSE-MLSLEFIRSA-N -1 3 519.000 6.055 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913397 572145472 /nfs/dbraw/zinc/14/54/72/572145472.db2.gz HFRUBRGONLVFPZ-XYIJYTLJSA-N -1 3 539.635 5.945 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913386 572145499 /nfs/dbraw/zinc/14/54/99/572145499.db2.gz HFRUBRGONLVFPZ-WYODCFETSA-N -1 3 539.635 5.945 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227023745 572147677 /nfs/dbraw/zinc/14/76/77/572147677.db2.gz HUFSSWPPXLWONS-FRXPANAUSA-N -1 3 555.030 6.369 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227084157 572149804 /nfs/dbraw/zinc/14/98/04/572149804.db2.gz MQTZMIAOJDTZAC-ZGIBFIJWSA-N -1 3 585.454 6.088 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000227239701 572152173 /nfs/dbraw/zinc/15/21/73/572152173.db2.gz ONBXBWJKOBDODI-BHDDXSALSA-N -1 3 552.439 5.565 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229921345 572169780 /nfs/dbraw/zinc/16/97/80/572169780.db2.gz NTYZTCUSRHTOFQ-JDONGJSOSA-N -1 3 571.073 5.946 50 0 KKAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@H]12 ZINC000229951414 572173402 /nfs/dbraw/zinc/17/34/02/572173402.db2.gz DRKWHMYCGUOUMF-QJGCUMMJSA-N -1 3 552.845 5.661 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc3ccccc3nc2Cl)cc1 ZINC000229966878 572174735 /nfs/dbraw/zinc/17/47/35/572174735.db2.gz HZSICYNQWBCOCM-JIMJEQGWSA-N -1 3 513.981 5.728 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000229968429 572175248 /nfs/dbraw/zinc/17/52/48/572175248.db2.gz BOQFXVGHBOHFIB-RBZQAINGSA-N -1 3 537.037 5.426 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000229968750 572175454 /nfs/dbraw/zinc/17/54/54/572175454.db2.gz IWFOOAMFMMDWIE-RBZQAINGSA-N -1 3 605.927 6.815 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccc(C)cc1 ZINC000229969248 572175503 /nfs/dbraw/zinc/17/55/03/572175503.db2.gz XCFNHJLMJLEOPY-RBZQAINGSA-N -1 3 504.608 5.210 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1cccs1)CCCC2 ZINC000229969020 572175585 /nfs/dbraw/zinc/17/55/85/572175585.db2.gz QDOVJPPZPYWNSY-YTFSRNRJSA-N -1 3 522.648 5.225 50 0 KKAAHM CN(C)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000229978985 572176462 /nfs/dbraw/zinc/17/64/62/572176462.db2.gz ULTDZXNXCGCCHO-YTFSRNRJSA-N -1 3 515.919 5.476 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000230004704 572177756 /nfs/dbraw/zinc/17/77/56/572177756.db2.gz HXSMBWAGYBRALD-ISJGIBHGSA-N -1 3 549.808 6.414 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000230200650 572185521 /nfs/dbraw/zinc/18/55/21/572185521.db2.gz FENAJJSBOYTMHK-UODPJZIASA-N -1 3 511.581 5.328 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000238900496 572189052 /nfs/dbraw/zinc/18/90/52/572189052.db2.gz IWFOOAMFMMDWIE-WXFUMESZSA-N -1 3 605.927 6.815 50 0 KKAAHM Cc1ccc(NC(=O)c2cn[n-]c2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000239667822 572196608 /nfs/dbraw/zinc/19/66/08/572196608.db2.gz BRNMBRTTYWQKLI-UHFFFAOYSA-N -1 3 503.356 5.216 50 0 KKAAHM Cc1ccc(NC(=O)c2c[n-]nc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000239667822 572196613 /nfs/dbraw/zinc/19/66/13/572196613.db2.gz BRNMBRTTYWQKLI-UHFFFAOYSA-N -1 3 503.356 5.216 50 0 KKAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000245229380 572207148 /nfs/dbraw/zinc/20/71/48/572207148.db2.gz WFPOBVUWSZPAPJ-YPAWHYETSA-N -1 3 502.876 5.419 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245245205 572217274 /nfs/dbraw/zinc/21/72/74/572217274.db2.gz BWEQFPMJXCVAOS-GZNUUUAQSA-N -1 3 559.493 6.972 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000245246137 572218654 /nfs/dbraw/zinc/21/86/54/572218654.db2.gz JLVJUJUWUPBZTE-JCYYIGJDSA-N -1 3 573.443 6.549 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245246077 572218785 /nfs/dbraw/zinc/21/87/85/572218785.db2.gz HEWPIHIHNPBOJG-WPQKMFINSA-N -1 3 585.512 7.301 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245246075 572218808 /nfs/dbraw/zinc/21/88/08/572218808.db2.gz HEWPIHIHNPBOJG-BQUCCUTGSA-N -1 3 585.512 7.301 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245247937 572221298 /nfs/dbraw/zinc/22/12/98/572221298.db2.gz ZFGXHEBNHOAKJH-RAESKKBESA-N -1 3 558.609 6.081 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245311999 572229987 /nfs/dbraw/zinc/22/99/87/572229987.db2.gz RPAOVPSORWAUDF-UCDUTVGFSA-N -1 3 525.048 6.237 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245312636 572230243 /nfs/dbraw/zinc/23/02/43/572230243.db2.gz WRHSBJXEQMDBBO-XTQYNZLPSA-N -1 3 525.048 6.319 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000245313021 572230311 /nfs/dbraw/zinc/23/03/11/572230311.db2.gz YXZMETQFKGFUTE-WXFUMESZSA-N -1 3 507.384 5.289 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312625 572230398 /nfs/dbraw/zinc/23/03/98/572230398.db2.gz WOOBXIQFTGUXPE-HEFUCBFLSA-N -1 3 541.607 5.336 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(F)cc1)C[C@H](C(C)(C)C)CC2 ZINC000245325247 572231415 /nfs/dbraw/zinc/23/14/15/572231415.db2.gz DHGOHVNIBQWKDW-WFQWJIHPSA-N -1 3 562.663 5.876 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(F)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000245325244 572231515 /nfs/dbraw/zinc/23/15/15/572231515.db2.gz DHGOHVNIBQWKDW-MZNDLHKKSA-N -1 3 562.663 5.876 50 0 KKAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)[C@]1(C)CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@H]1C2 ZINC000252510621 572262089 /nfs/dbraw/zinc/26/20/89/572262089.db2.gz AUEDUNMNIPNDSG-MLUPGTEMSA-N -1 3 511.640 5.005 50 0 KKAAHM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396083 572283866 /nfs/dbraw/zinc/28/38/66/572283866.db2.gz AUSQXERVLUTFPV-MJVKXCJRSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413193 572288364 /nfs/dbraw/zinc/28/83/64/572288364.db2.gz UCICMEZSJCENSS-IJAHGLKVSA-N -1 3 703.741 5.002 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1CC2=CC[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@H]2[C@@H](C)C1)C(F)(F)F ZINC000253504863 572296741 /nfs/dbraw/zinc/29/67/41/572296741.db2.gz FQBZIZMQOQMJMM-RLIDIOKUSA-N -1 3 709.956 9.378 50 0 KKAAHM O=C(NN=C1c2ccccc2N(Cc2ccccc2)C1=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000254342493 1072847994 /nfs/dbraw/zinc/84/79/94/1072847994.db2.gz KSRACKNKJUAABR-UHFFFAOYSA-N -1 3 579.465 5.475 50 0 KKAAHM Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5c(C)cc(C)cc5C)cc4)c3n2)cc1 ZINC000000649984 551511662 /nfs/dbraw/zinc/51/16/62/551511662.db2.gz XMPQTSAMGLHTPF-UHFFFAOYSA-N -1 3 575.641 6.621 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)c(C)c1 ZINC000000673977 551520676 /nfs/dbraw/zinc/52/06/76/551520676.db2.gz YFXBREYZNBTBCC-UHFFFAOYSA-N -1 3 539.451 6.037 50 0 KKAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000000716330 551534328 /nfs/dbraw/zinc/53/43/28/551534328.db2.gz QVZUKZDSPXFHMQ-UHFFFAOYSA-N -1 3 548.481 5.593 50 0 KKAAHM CSc1ccccc1[N-]C(=O)c1nn2c(nc(-c3ccc(Br)o3)cc2C(F)(F)F)c1Br ZINC000000720996 551537432 /nfs/dbraw/zinc/53/74/32/551537432.db2.gz GPSIOCYFRILRKQ-UHFFFAOYSA-N -1 3 576.192 6.507 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccc(NS(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1 ZINC000000826906 551545268 /nfs/dbraw/zinc/54/52/68/551545268.db2.gz PIRKVMIDMFUYEV-UHFFFAOYSA-N -1 3 534.703 6.113 50 0 KKAAHM Cc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Cl)no1 ZINC000000845284 551548658 /nfs/dbraw/zinc/54/86/58/551548658.db2.gz UDDILTYGTCHHOA-UHFFFAOYSA-N -1 3 500.662 5.380 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@H](C)C2 ZINC000000845350 551548825 /nfs/dbraw/zinc/54/88/25/551548825.db2.gz MWHFSSYQBIDYDB-JTQLQIEISA-N -1 3 555.003 6.355 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CCCC2 ZINC000000845349 551548905 /nfs/dbraw/zinc/54/89/05/551548905.db2.gz NMGOYCGOLRCRGY-UHFFFAOYSA-N -1 3 540.976 6.109 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000001271178 551634979 /nfs/dbraw/zinc/63/49/79/551634979.db2.gz MUNOBNJSMWTBIM-JRLXJTRMSA-N -1 3 564.682 5.991 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404632 551661534 /nfs/dbraw/zinc/66/15/34/551661534.db2.gz XXUNLIARTXNKPG-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404632 551661536 /nfs/dbraw/zinc/66/15/36/551661536.db2.gz XXUNLIARTXNKPG-VWLOTQADSA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404659 551661706 /nfs/dbraw/zinc/66/17/06/551661706.db2.gz BHKXKWJVOXOZNI-SANMLTNESA-N -1 3 534.410 6.005 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(OC)cc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000001404659 551661709 /nfs/dbraw/zinc/66/17/09/551661709.db2.gz BHKXKWJVOXOZNI-SANMLTNESA-N -1 3 534.410 6.005 50 0 KKAAHM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000001841679 551714167 /nfs/dbraw/zinc/71/41/67/551714167.db2.gz DPCRUSDPVCVSIH-UHFFFAOYSA-N -1 3 504.420 6.111 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000001876973 551722953 /nfs/dbraw/zinc/72/29/53/551722953.db2.gz RIRPJLUDXBFOLP-YPMHNXCESA-N -1 3 574.965 5.765 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001878114 551723374 /nfs/dbraw/zinc/72/33/74/551723374.db2.gz GUJNKBADFJYEPG-DSNGMDLFSA-N -1 3 584.253 7.067 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)c(C(=O)OCC)c1C ZINC000001894631 551727178 /nfs/dbraw/zinc/72/71/78/551727178.db2.gz JIYWYNFWFOHDKL-UHFFFAOYSA-N -1 3 554.628 6.039 50 0 KKAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050618 551738609 /nfs/dbraw/zinc/73/86/09/551738609.db2.gz ONFOZXGEQIAZKN-QGZVFWFLSA-N -1 3 503.226 5.676 50 0 KKAAHM FC(F)(F)C(Oc1nc(N(c2ccccc2)c2ccccc2)nc(=NNc2ccccc2)[n-]1)C(F)(F)F ZINC000002057341 551740080 /nfs/dbraw/zinc/74/00/80/551740080.db2.gz UVEBCDMKPQCNQG-UHFFFAOYSA-N -1 3 520.437 6.652 50 0 KKAAHM FC(F)(F)C(Oc1nc(=NNc2ccccc2)[n-]c(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F ZINC000002057341 551740083 /nfs/dbraw/zinc/74/00/83/551740083.db2.gz UVEBCDMKPQCNQG-UHFFFAOYSA-N -1 3 520.437 6.652 50 0 KKAAHM CCCCCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(OC)c1)Nc1ccccc1-2 ZINC000002084582 551754338 /nfs/dbraw/zinc/75/43/38/551754338.db2.gz IEXANLHJVPKOBV-FQEVSTJZSA-N -1 3 503.422 5.801 50 0 KKAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1scc(-c2ccc(C)cc2)c1C(=O)OC(C)C ZINC000002088922 551758054 /nfs/dbraw/zinc/75/80/54/551758054.db2.gz YLCZBBBESAILIE-UHFFFAOYSA-N -1 3 512.990 7.297 50 0 KKAAHM CC[C@@H](C)c1ccc(-c2c(C)sc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)c2C(=O)OC(C)C)cc1 ZINC000002089695 551758560 /nfs/dbraw/zinc/75/85/60/551758560.db2.gz SBROWUCUNQAFDT-QGZVFWFLSA-N -1 3 551.108 8.671 50 0 KKAAHM COc1ccc(-c2cc(=O)oc3cc(OC(=O)[C@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)ccc32)cc1 ZINC000002094025 551760114 /nfs/dbraw/zinc/76/01/14/551760114.db2.gz POCJVFDFEBOVMF-SSEXGKCCSA-N -1 3 555.608 5.402 50 0 biogenic KKAAHM CC(C)OC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000002103732 551762535 /nfs/dbraw/zinc/76/25/35/551762535.db2.gz ICNCRVVLXSYBHA-UHFFFAOYSA-N -1 3 524.878 8.408 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000002256775 551803042 /nfs/dbraw/zinc/80/30/42/551803042.db2.gz WCOFXYXKDHFUEJ-NJDAHSKKSA-N -1 3 518.194 5.807 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002399929 552111204 /nfs/dbraw/zinc/11/12/04/552111204.db2.gz AWTMRMZOPKALKI-NHKHRBQYSA-N -1 3 534.568 5.274 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000002431895 552118054 /nfs/dbraw/zinc/11/80/54/552118054.db2.gz XAOMMBHBNKOFIG-NJDAHSKKSA-N -1 3 517.301 5.519 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1ccccc1C(F)(F)F ZINC000002745215 552173128 /nfs/dbraw/zinc/17/31/28/552173128.db2.gz PSYPIKYSDUENKW-OAQYLSRUSA-N -1 3 581.332 5.620 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1ccccc1Br ZINC000002747234 552174184 /nfs/dbraw/zinc/17/41/84/552174184.db2.gz ORANYNRACXVFAZ-OAQYLSRUSA-N -1 3 592.231 5.364 50 0 KKAAHM CCOc1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2I)cc1 ZINC000002748652 552175190 /nfs/dbraw/zinc/17/51/90/552175190.db2.gz ZUNGUKARDDXELX-OAQYLSRUSA-N -1 3 592.231 5.364 50 0 KKAAHM CC(C)OC(=O)c1c([N-]C(=O)c2sc3cc(F)ccc3c2Cl)scc1-c1ccc(Cl)cc1Cl ZINC000002756293 552177976 /nfs/dbraw/zinc/17/79/76/552177976.db2.gz PUYATJXNTYVJOA-UHFFFAOYSA-N -1 3 542.868 8.547 50 0 KKAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1scc(-c2ccc(F)cc2)c1C(=O)OC(C)C ZINC000002759440 552181997 /nfs/dbraw/zinc/18/19/97/552181997.db2.gz LKQQFYASBKHYPI-UHFFFAOYSA-N -1 3 516.953 7.128 50 0 KKAAHM CCCCSc1nnc2c(n1)O[C@H](c1cc(Br)c([O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002917117 552217924 /nfs/dbraw/zinc/21/79/24/552217924.db2.gz MONHUJSUKQAMAR-HXUWFJFHSA-N -1 3 503.422 5.801 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000002922349 552221292 /nfs/dbraw/zinc/22/12/92/552221292.db2.gz QUFFIIHWBFUVMM-UHFFFAOYSA-N -1 3 548.730 6.806 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4ccc(OCC)cc4)cc3)cc2)cc1 ZINC000003017829 552261091 /nfs/dbraw/zinc/26/10/91/552261091.db2.gz VAOMIWQDSCLMMO-UHFFFAOYSA-N -1 3 552.674 5.753 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000003094539 552286992 /nfs/dbraw/zinc/28/69/92/552286992.db2.gz FVNYKKYFPXUXNK-UHFFFAOYSA-N -1 3 576.117 6.471 50 0 KKAAHM O=C(N[C@@H](NC(=S)Nc1cc2ccccc2cc1[O-])C(Cl)(Cl)Cl)c1ccccc1I ZINC000003137483 552293775 /nfs/dbraw/zinc/29/37/75/552293775.db2.gz MFXQDBGXOWFMRV-SFHVURJKSA-N -1 3 594.689 5.563 50 0 KKAAHM O=C(Nc1ccc(SC(F)F)cc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003201870 552304081 /nfs/dbraw/zinc/30/40/81/552304081.db2.gz IRMCAHNBOLQLDW-UHFFFAOYSA-N -1 3 536.931 6.727 50 0 KKAAHM O=C(Nc1cccc(Br)c1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003206115 552304529 /nfs/dbraw/zinc/30/45/29/552304529.db2.gz MARWTMJTNDUPKH-UHFFFAOYSA-N -1 3 533.753 6.174 50 0 KKAAHM O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003206111 552304587 /nfs/dbraw/zinc/30/45/87/552304587.db2.gz FAUJJQWQOHZAFG-UHFFFAOYSA-N -1 3 522.854 6.431 50 0 KKAAHM O=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003206109 552304597 /nfs/dbraw/zinc/30/45/97/552304597.db2.gz ICOHCAPGDWETLR-UHFFFAOYSA-N -1 3 580.753 6.017 50 0 KKAAHM COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4Cl)cc3)c3ccccc3n2)cc1 ZINC000003214834 552306496 /nfs/dbraw/zinc/30/64/96/552306496.db2.gz XVBQXDURMBMWMI-UHFFFAOYSA-N -1 3 544.032 6.617 50 0 KKAAHM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000003223182 552311413 /nfs/dbraw/zinc/31/14/13/552311413.db2.gz QAKPFBZAXHVVAU-CQSZACIVSA-N -1 3 569.850 5.834 50 0 KKAAHM C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003240509 552318276 /nfs/dbraw/zinc/31/82/76/552318276.db2.gz OYQQLIAGSMPLSY-NSHDSACASA-N -1 3 596.703 6.938 50 0 KKAAHM Cc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)cc1Cl ZINC000003268879 552331033 /nfs/dbraw/zinc/33/10/33/552331033.db2.gz RYMRJSYHLHPDOW-UHFFFAOYSA-N -1 3 503.329 6.374 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]c1nc2ccccc2nc1SCc1ccccc1Cl ZINC000003355909 552369082 /nfs/dbraw/zinc/36/90/82/552369082.db2.gz WFBYHXFNKOGCHO-UHFFFAOYSA-N -1 3 566.535 8.878 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656071 552404521 /nfs/dbraw/zinc/40/45/21/552404521.db2.gz ITNRHVNAITWVLZ-QHCPKHFHSA-N -1 3 550.361 5.052 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000003668248 552409988 /nfs/dbraw/zinc/40/99/88/552409988.db2.gz XAVUIVXGWMYLTB-UHFFFAOYSA-N -1 3 566.078 6.064 50 0 KKAAHM CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(-n3[n-]c(N4CCOCC4)cc3=O)cc2)c(C(C)(C)CC)c1 ZINC000004014814 552426289 /nfs/dbraw/zinc/42/62/89/552426289.db2.gz UZCVBDFVRFFGMT-UHFFFAOYSA-N -1 3 534.701 5.462 50 0 KKAAHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)C2=O)cc1C ZINC000006242645 552573323 /nfs/dbraw/zinc/57/33/23/552573323.db2.gz KJUNOJBMKCRTDF-VEILYXNESA-N -1 3 558.059 6.398 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)c(C)c1 ZINC000008400138 553003789 /nfs/dbraw/zinc/00/37/89/553003789.db2.gz HDELNXXVLYSEBH-UHFFFAOYSA-N -1 3 503.418 5.193 50 0 KKAAHM Nc1c(C(=O)[N-]c2nnc(-c3ccccc3)s2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000008413809 553010374 /nfs/dbraw/zinc/01/03/74/553010374.db2.gz BJLBDDKEEBIJJT-UHFFFAOYSA-N -1 3 503.556 6.397 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000008431255 553022713 /nfs/dbraw/zinc/02/27/13/553022713.db2.gz PRDBBPACQCJRRG-INIZCTEOSA-N -1 3 679.559 7.828 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000008431312 553022925 /nfs/dbraw/zinc/02/29/25/553022925.db2.gz MODMAGMSNNMHTF-INIZCTEOSA-N -1 3 649.533 7.819 50 0 KKAAHM COc1cc([C@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008433193 553028285 /nfs/dbraw/zinc/02/82/85/553028285.db2.gz IXCDORJIRFWWHW-ZEVJAHDQSA-N -1 3 548.945 5.374 50 0 KKAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008437126 553031311 /nfs/dbraw/zinc/03/13/11/553031311.db2.gz WFPOBVUWSZPAPJ-BDTNDASRSA-N -1 3 502.876 5.419 50 0 KKAAHM COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000008683783 553112942 /nfs/dbraw/zinc/11/29/42/553112942.db2.gz ASNFJEAAAOTRMT-QFIPXVFZSA-N -1 3 542.646 5.061 50 0 KKAAHM CCOc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc1OCC ZINC000009124313 553212884 /nfs/dbraw/zinc/21/28/84/553212884.db2.gz AUKPYIPQMLGBNA-MHZLTWQESA-N -1 3 519.001 5.682 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009209732 553220546 /nfs/dbraw/zinc/22/05/46/553220546.db2.gz GKISSFMKIWYFDS-GFQWBHFJSA-N -1 3 517.412 5.864 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000009210688 553220934 /nfs/dbraw/zinc/22/09/34/553220934.db2.gz YUSDUUYSSWYYRK-UBFVSLLYSA-N -1 3 504.464 5.790 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000009235748 553225337 /nfs/dbraw/zinc/22/53/37/553225337.db2.gz HEMZGEPJUBCQCC-QHAWAJNXSA-N -1 3 501.739 5.293 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc1OC ZINC000009243116 553226852 /nfs/dbraw/zinc/22/68/52/553226852.db2.gz RAROXOAPCDECFB-AREMUKBSSA-N -1 3 504.974 5.292 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc(Br)c1[O-] ZINC000009281567 553233397 /nfs/dbraw/zinc/23/33/97/553233397.db2.gz OMEMVYBACWPGNS-NRFANRHFSA-N -1 3 507.340 5.031 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000009380355 553251789 /nfs/dbraw/zinc/25/17/89/553251789.db2.gz QJXDTMLOXINXMS-NJDAHSKKSA-N -1 3 501.739 5.293 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678982 553295755 /nfs/dbraw/zinc/29/57/55/553295755.db2.gz YCPXRTPTMYZSAL-XMMPIXPASA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678982 553295756 /nfs/dbraw/zinc/29/57/56/553295756.db2.gz YCPXRTPTMYZSAL-XMMPIXPASA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678983 553295762 /nfs/dbraw/zinc/29/57/62/553295762.db2.gz YCPXRTPTMYZSAL-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009678983 553295763 /nfs/dbraw/zinc/29/57/63/553295763.db2.gz YCPXRTPTMYZSAL-DEOSSOPVSA-N -1 3 508.803 6.641 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679449 553296318 /nfs/dbraw/zinc/29/63/18/553296318.db2.gz CXNZHIHQIGJOES-NDEPHWFRSA-N -1 3 511.578 5.801 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009679449 553296320 /nfs/dbraw/zinc/29/63/20/553296320.db2.gz CXNZHIHQIGJOES-NDEPHWFRSA-N -1 3 511.578 5.801 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679445 553296359 /nfs/dbraw/zinc/29/63/59/553296359.db2.gz UUBKIFNNWCKQEV-NDEPHWFRSA-N -1 3 527.577 5.506 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000009679445 553296360 /nfs/dbraw/zinc/29/63/60/553296360.db2.gz UUBKIFNNWCKQEV-NDEPHWFRSA-N -1 3 527.577 5.506 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(OC(F)F)cc1 ZINC000011917806 553349642 /nfs/dbraw/zinc/34/96/42/553349642.db2.gz RVRWYUMQGDPBPJ-QHAWAJNXSA-N -1 3 504.411 5.358 50 0 KKAAHM O=c1nc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)[n-]c2scc(-c3ccccc3)c21 ZINC000012546295 553391494 /nfs/dbraw/zinc/39/14/94/553391494.db2.gz GTQCBTPLJGWFJO-UHFFFAOYSA-N -1 3 515.063 6.995 50 0 KKAAHM CCOC(=O)c1c([N-]c2nc3ccccc3nc2N2CCC[C@H](C(=O)OCC)C2)sc2c1CCCC2 ZINC000012560068 553394161 /nfs/dbraw/zinc/39/41/61/553394161.db2.gz IEGYPCSFXVZWHX-KRWDZBQOSA-N -1 3 508.644 5.270 50 0 KKAAHM CCc1ccc(NC(=S)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N2CCCC2)cc1 ZINC000012623209 553404023 /nfs/dbraw/zinc/40/40/23/553404023.db2.gz DGCFMONMGYKYQI-UHFFFAOYSA-N -1 3 515.104 6.112 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013759031 553488595 /nfs/dbraw/zinc/48/85/95/553488595.db2.gz KJVIXBVZEXEVAM-QHAWAJNXSA-N -1 3 508.188 6.351 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000013787730 553490822 /nfs/dbraw/zinc/49/08/22/553490822.db2.gz CPSGHXNMBSAQQG-NJDAHSKKSA-N -1 3 501.739 5.293 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013811561 553492702 /nfs/dbraw/zinc/49/27/02/553492702.db2.gz ROJJJJLQDMZZCG-QHAWAJNXSA-N -1 3 507.295 6.063 50 0 KKAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1C ZINC000017042838 553587193 /nfs/dbraw/zinc/58/71/93/553587193.db2.gz IDFZQPZIKXLTSM-UHFFFAOYSA-N -1 3 503.628 6.007 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018042159 553602156 /nfs/dbraw/zinc/60/21/56/553602156.db2.gz VMRLDZUTROYXCR-IARZGTGTSA-N -1 3 516.594 5.324 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018141690 553606017 /nfs/dbraw/zinc/60/60/17/553606017.db2.gz WESRLCLWSYRRLZ-NXCFDTQHSA-N -1 3 506.986 5.579 50 0 KKAAHM O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]1 ZINC000019913799 553633566 /nfs/dbraw/zinc/63/35/66/553633566.db2.gz IKCJXQSTJQCNNR-UHFFFAOYSA-N -1 3 525.703 5.584 50 0 KKAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000020464683 553656870 /nfs/dbraw/zinc/65/68/70/553656870.db2.gz VJQNKOYJIAFFLM-UHFFFAOYSA-N -1 3 524.552 5.437 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC ZINC000079188336 553666673 /nfs/dbraw/zinc/66/66/73/553666673.db2.gz QMLCJALFRIQKMK-AFYLTPBKSA-N -1 3 538.593 5.341 50 0 KKAAHM CC(C)c1ccc(COc2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000079193432 553668977 /nfs/dbraw/zinc/66/89/77/553668977.db2.gz SZWSJZAITXKCQL-UFOTZBMSSA-N -1 3 596.720 8.017 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020855084 553700147 /nfs/dbraw/zinc/70/01/47/553700147.db2.gz ZJWLNMUMHBGGSE-NDEPHWFRSA-N -1 3 509.606 6.309 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000020855084 553700149 /nfs/dbraw/zinc/70/01/49/553700149.db2.gz ZJWLNMUMHBGGSE-NDEPHWFRSA-N -1 3 509.606 6.309 50 0 KKAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3cccc(Br)c3)cc2)cc(N2CCCCC2)n1 ZINC000021795792 553716798 /nfs/dbraw/zinc/71/67/98/553716798.db2.gz NMJZYALGIVEMHM-UHFFFAOYSA-N -1 3 502.438 5.082 50 0 KKAAHM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022852772 553761525 /nfs/dbraw/zinc/76/15/25/553761525.db2.gz OWVPPXBOKMVXOS-NDEPHWFRSA-N -1 3 555.704 5.319 50 0 KKAAHM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852768 553761530 /nfs/dbraw/zinc/76/15/30/553761530.db2.gz AWFFFWXEDQYTNV-AREMUKBSSA-N -1 3 574.548 6.064 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)c(C)c1 ZINC000097940277 553764286 /nfs/dbraw/zinc/76/42/86/553764286.db2.gz ARDHNAHTXBFWMI-UHFFFAOYSA-N -1 3 553.478 6.346 50 0 KKAAHM CC(=O)[C@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585132 553811984 /nfs/dbraw/zinc/81/19/84/553811984.db2.gz NIGWSUXVINZRPB-IGYGKHONSA-N -1 3 517.625 6.538 50 0 KKAAHM [O-]c1c(-c2nc3c4c(ncn3n2)n(Cc2ccco2)c(-c2ccccc2)c4-c2ccccc2)ccc2ccccc21 ZINC000097952128 553813238 /nfs/dbraw/zinc/81/32/38/553813238.db2.gz JNJHCKIDASBGHP-UHFFFAOYSA-N -1 3 533.591 7.580 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000097954385 553822850 /nfs/dbraw/zinc/82/28/50/553822850.db2.gz DLEMHSYCAFTVFC-QHAWAJNXSA-N -1 3 518.194 5.807 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000097954545 553823788 /nfs/dbraw/zinc/82/37/88/553823788.db2.gz BFHZBYQUUPPMNC-JBOQNHBVSA-N -1 3 538.575 5.855 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000097954559 553824097 /nfs/dbraw/zinc/82/40/97/553824097.db2.gz UPDAUNONDMLKSA-UBFVSLLYSA-N -1 3 523.347 6.444 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000029749001 553850794 /nfs/dbraw/zinc/85/07/94/553850794.db2.gz BMYXXDGYQVFRLU-JOCHJYFZSA-N -1 3 615.230 5.506 50 0 KKAAHM COc1ccccc1[C@@H]1Nc2ccc(I)cc2C(=O)N1[N-]C(=O)c1ccccc1OCc1ccccc1 ZINC000097959391 553863310 /nfs/dbraw/zinc/86/33/10/553863310.db2.gz XDTNQEBFSCVVME-HHHXNRCGSA-N -1 3 605.432 5.790 50 0 KKAAHM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1ccc(F)cc1 ZINC000033254930 553914203 /nfs/dbraw/zinc/91/42/03/553914203.db2.gz PGYJTZLBJCGJIJ-UHFFFAOYSA-N -1 3 509.950 5.242 50 0 KKAAHM Cc1ccccc1CSC1=N[C@H](c2cccc(Br)c2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2cccc(Br)c2)N1 ZINC000033357607 553949315 /nfs/dbraw/zinc/94/93/15/553949315.db2.gz ZGAYXYKGKIICMC-FGZHOGPDSA-N -1 3 642.373 6.388 50 0 KKAAHM Cc1ccccc1CSC1=N[C@H](c2cccc(Br)c2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2cccc(Br)c2)N1 ZINC000033357607 553949312 /nfs/dbraw/zinc/94/93/12/553949312.db2.gz ZGAYXYKGKIICMC-FGZHOGPDSA-N -1 3 642.373 6.388 50 0 KKAAHM CCOC([O-])=NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000097979859 553982993 /nfs/dbraw/zinc/98/29/93/553982993.db2.gz OFUMJROVQYFOMP-RQRMZWKBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)[N-]C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000097979859 553982996 /nfs/dbraw/zinc/98/29/96/553982996.db2.gz OFUMJROVQYFOMP-RQRMZWKBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4)cc3)C2=O)cc1 ZINC000097980495 553989011 /nfs/dbraw/zinc/98/90/11/553989011.db2.gz IEQJDIIBIXOHPJ-USHMODERSA-N -1 3 602.068 5.958 50 0 KKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097980597 553989915 /nfs/dbraw/zinc/98/99/15/553989915.db2.gz GBSRJMDNAIKHHE-VMPITWQZSA-N -1 3 530.477 5.265 50 0 KKAAHM O=P1(Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000097983934 554013266 /nfs/dbraw/zinc/01/32/66/554013266.db2.gz AGQJAOKBZLMJKK-UHFFFAOYSA-N -1 3 583.433 8.512 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000097986439 554023970 /nfs/dbraw/zinc/02/39/70/554023970.db2.gz OTRJVMFJVHECLP-SLSDLSHTSA-N -1 3 534.918 5.032 50 0 KKAAHM CCCCOc1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1 ZINC000097990873 554029908 /nfs/dbraw/zinc/02/99/08/554029908.db2.gz NBTIBLKGQBWZCD-UHFFFAOYSA-N -1 3 543.648 5.496 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000097999665 554044961 /nfs/dbraw/zinc/04/49/61/554044961.db2.gz PAFZQTBMMFUQNN-WMLDXEAASA-N -1 3 645.056 6.190 50 0 KKAAHM CCOC(=O)c1c([N-][C@@](NC(=O)c2ccccc2OC)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003614 554055416 /nfs/dbraw/zinc/05/54/16/554055416.db2.gz FAXKGIFOXVGFFS-SANMLTNESA-N -1 3 564.582 5.436 50 0 KKAAHM CCCN(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000035943859 554101667 /nfs/dbraw/zinc/10/16/67/554101667.db2.gz FHLDMHFQPOCMCK-UHFFFAOYSA-N -1 3 516.063 5.268 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)C(C)(C)C)[C@H](C)c3ccccc3)c2)cc1 ZINC000035944132 554102023 /nfs/dbraw/zinc/10/20/23/554102023.db2.gz LYQMYYBRVXPINH-OAQYLSRUSA-N -1 3 523.699 5.698 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3ccc(F)cc3)C(=O)c3cccs3)c2)cc1 ZINC000098020165 554117146 /nfs/dbraw/zinc/11/71/46/554117146.db2.gz YOPHEOUGGSGMBS-UHFFFAOYSA-N -1 3 553.681 5.605 50 0 KKAAHM COc1cc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2Cc2cccnc2)cc(Br)c1[O-] ZINC000098046957 554145565 /nfs/dbraw/zinc/14/55/65/554145565.db2.gz PNZVLQHXMXCNAD-HSZRJFAPSA-N -1 3 535.398 5.016 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(Cc4ccccc4)C[C@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205289 554201077 /nfs/dbraw/zinc/20/10/77/554201077.db2.gz IZAVUFIHELYDMJ-QHCPKHFHSA-N -1 3 505.684 5.447 50 0 KKAAHM Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000036207608 554202634 /nfs/dbraw/zinc/20/26/34/554202634.db2.gz KATGLHDIUZUEGV-DEOSSOPVSA-N -1 3 511.647 5.402 50 0 KKAAHM Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000036207607 554202724 /nfs/dbraw/zinc/20/27/24/554202724.db2.gz KATGLHDIUZUEGV-XMMPIXPASA-N -1 3 511.647 5.402 50 0 KKAAHM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4cc(NC(=O)C(C)C)ccc42)CC3)cc1 ZINC000036358849 554224002 /nfs/dbraw/zinc/22/40/02/554224002.db2.gz WPWMAIMICNJEOG-DEOSSOPVSA-N -1 3 504.612 5.079 50 0 KKAAHM Cc1ccc(C(NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100234337 554258060 /nfs/dbraw/zinc/25/80/60/554258060.db2.gz RRYSGISHZIBOJC-QNGWXLTQSA-N -1 3 610.754 7.649 50 0 KKAAHM COC(=O)C[C@@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000100255895 554264290 /nfs/dbraw/zinc/26/42/90/554264290.db2.gz KTDIQCNGGRIIIX-KRWDZBQOSA-N -1 3 553.402 5.252 50 0 KKAAHM COC(=O)C[C@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000100255890 554264293 /nfs/dbraw/zinc/26/42/93/554264293.db2.gz KTDIQCNGGRIIIX-QGZVFWFLSA-N -1 3 553.402 5.252 50 0 KKAAHM COC(=O)C[C@@H](c1cc(Br)c(OC)c(OC)c1)c1oc(CSc2cccc(OC)c2)cc(=O)c1[O-] ZINC000100255930 554264394 /nfs/dbraw/zinc/26/43/94/554264394.db2.gz QYVKDMDOHYQIET-SFHVURJKSA-N -1 3 565.438 5.121 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000059103179 554379167 /nfs/dbraw/zinc/37/91/67/554379167.db2.gz BQAZGAJNMCLQGI-VWLOTQADSA-N -1 3 532.394 5.774 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000059103179 554379164 /nfs/dbraw/zinc/37/91/64/554379164.db2.gz BQAZGAJNMCLQGI-VWLOTQADSA-N -1 3 532.394 5.774 50 0 KKAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000060164713 554502491 /nfs/dbraw/zinc/50/24/91/554502491.db2.gz FBAUQPLOXQNMBE-NRFANRHFSA-N -1 3 565.055 5.845 50 0 KKAAHM CC[C@H](C(=O)N1CCCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000100889280 554510654 /nfs/dbraw/zinc/51/06/54/554510654.db2.gz WKWQQQDZZPWHAX-XIFFEERXSA-N -1 3 638.834 6.301 50 0 KKAAHM Cc1c(Cl)cccc1-n1c(O)c2n(-c3ccc(Br)cc3)[n-]c(C(=O)c3ccccc3)c-2c1=O ZINC000100893604 554513225 /nfs/dbraw/zinc/51/32/25/554513225.db2.gz YNWQZIVVYMLXNM-UNMCSNQZSA-N -1 3 522.786 5.028 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101096825 554584660 /nfs/dbraw/zinc/58/46/60/554584660.db2.gz DCMUYFQVYOWONS-CYXNTTPDSA-N -1 3 506.986 5.579 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101133575 554650992 /nfs/dbraw/zinc/65/09/92/554650992.db2.gz HENPRBOQZDFZSD-WFPUBZAHSA-N -1 3 525.608 5.636 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101213229 554680453 /nfs/dbraw/zinc/68/04/53/554680453.db2.gz KPQPZBXYSSOLFS-WFPUBZAHSA-N -1 3 544.582 5.690 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3nnc(SCc4c(F)cccc4Cl)[n-]3)[C@@H]2c2ccccc2F)cc1 ZINC000101298570 554712478 /nfs/dbraw/zinc/71/24/78/554712478.db2.gz KIFKERJCOVICBW-JOCHJYFZSA-N -1 3 524.980 6.394 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3nc(SCc4c(F)cccc4Cl)n[n-]3)[C@@H]2c2ccccc2F)cc1 ZINC000101298570 554712480 /nfs/dbraw/zinc/71/24/80/554712480.db2.gz KIFKERJCOVICBW-JOCHJYFZSA-N -1 3 524.980 6.394 50 0 KKAAHM Cc1ccc(C2C(=O)C(=O)N(c3n[n-]c(SCc4c(F)cccc4Cl)n3)[C@@H]2c2ccccc2F)cc1 ZINC000101298570 554712484 /nfs/dbraw/zinc/71/24/84/554712484.db2.gz KIFKERJCOVICBW-JOCHJYFZSA-N -1 3 524.980 6.394 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl ZINC000101331333 554732028 /nfs/dbraw/zinc/73/20/28/554732028.db2.gz SXEKYXOUINQPKJ-UHFFFAOYSA-N -1 3 555.121 7.903 50 0 KKAAHM CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000101473185 554781765 /nfs/dbraw/zinc/78/17/65/554781765.db2.gz TZWHFKKEPFESLL-IGSWSUAKSA-N -1 3 612.514 5.089 50 0 KKAAHM CCOc1ccccc1NC(=O)[C@@H](CC)Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br ZINC000101649588 554816548 /nfs/dbraw/zinc/81/65/48/554816548.db2.gz ADJOSHPTEOKFMH-OAQYLSRUSA-N -1 3 617.547 5.278 50 0 KKAAHM CC(C)C[C@@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(C(C)C)cc4)ccc3n2)CC1 ZINC000101813893 554839940 /nfs/dbraw/zinc/83/99/40/554839940.db2.gz OSXIHMOIHNFWSI-OAQYLSRUSA-N -1 3 538.714 5.414 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000101813841 554840019 /nfs/dbraw/zinc/84/00/19/554840019.db2.gz NXMJRWURNISLNY-JOCHJYFZSA-N -1 3 538.714 5.216 50 0 KKAAHM COc1ccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000101895305 554846958 /nfs/dbraw/zinc/84/69/58/554846958.db2.gz DUTREVIRLLMQJS-LJAQVGFWSA-N -1 3 584.101 6.686 50 0 KKAAHM COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)CC1 ZINC000101917346 554850604 /nfs/dbraw/zinc/85/06/04/554850604.db2.gz KMJJWLCKDOTXHJ-UHFFFAOYSA-N -1 3 524.371 5.012 50 0 KKAAHM Cc1ccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000102131709 554885743 /nfs/dbraw/zinc/88/57/43/554885743.db2.gz AOKQWFUKDCVWMX-UHFFFAOYSA-N -1 3 546.565 6.412 50 0 KKAAHM O=c1[n-]c(CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)nc2c3ccccc3oc21 ZINC000102221410 554899331 /nfs/dbraw/zinc/89/93/31/554899331.db2.gz OBAAFMIUPMZWEY-UHFFFAOYSA-N -1 3 534.395 5.624 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c3)cc2)cc1 ZINC000102278364 554906581 /nfs/dbraw/zinc/90/65/81/554906581.db2.gz LFVCKIXRLVVPGU-UHFFFAOYSA-N -1 3 545.621 5.029 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)cc2Sc2ccccc2C1=O ZINC000102700188 555012660 /nfs/dbraw/zinc/01/26/60/555012660.db2.gz JLKVZVASUDULSN-GOSISDBHSA-N -1 3 534.663 5.606 50 0 KKAAHM O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102734012 555024560 /nfs/dbraw/zinc/02/45/60/555024560.db2.gz JBLXWAXDZJLTKI-QHAWAJNXSA-N -1 3 538.412 5.257 50 0 KKAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000102745196 555036923 /nfs/dbraw/zinc/03/69/23/555036923.db2.gz FZAKQMOUQLKEDH-VJBWXMMDSA-N -1 3 573.274 5.578 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102746739 555039659 /nfs/dbraw/zinc/03/96/59/555039659.db2.gz QVOCJQGIFZXWSY-IDZRBWSNSA-N -1 3 522.601 6.078 50 0 KKAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000102748257 555042454 /nfs/dbraw/zinc/04/24/54/555042454.db2.gz VCKRTHALUFDKKU-UODIDJSMSA-N -1 3 519.384 6.613 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102751201 555044458 /nfs/dbraw/zinc/04/44/58/555044458.db2.gz DKJWBJSUKOFCSM-ZONZVBGPSA-N -1 3 521.013 5.969 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCCC)c(OC)c2)cc1 ZINC000102759347 555051163 /nfs/dbraw/zinc/05/11/63/555051163.db2.gz OYEMGILYTNZQOA-SSBOKUKZSA-N -1 3 530.621 5.714 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102768429 555056158 /nfs/dbraw/zinc/05/61/58/555056158.db2.gz ZAFDJCICHZAOBI-KWXIBIRDSA-N -1 3 515.396 6.712 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860614 555091003 /nfs/dbraw/zinc/09/10/03/555091003.db2.gz ODXIADHJUOJQLU-BHIFYINESA-N -1 3 545.444 5.900 50 0 KKAAHM CN(C)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000102864362 555093877 /nfs/dbraw/zinc/09/38/77/555093877.db2.gz ULTDZXNXCGCCHO-XPWALMASSA-N -1 3 515.919 5.476 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1OC ZINC000102869268 555098559 /nfs/dbraw/zinc/09/85/59/555098559.db2.gz VSSSKKMRBGOJKO-CYXNTTPDSA-N -1 3 575.876 6.885 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883585 555112110 /nfs/dbraw/zinc/11/21/10/555112110.db2.gz TWMUDXNVQVFUQP-NLDZOOGBSA-N -1 3 552.558 5.413 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102883928 555112589 /nfs/dbraw/zinc/11/25/89/555112589.db2.gz ALJBADOISWIGCG-CYXNTTPDSA-N -1 3 598.437 5.530 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102896679 555136891 /nfs/dbraw/zinc/13/68/91/555136891.db2.gz KNTBAPSEJMDMLH-KWXIBIRDSA-N -1 3 561.015 5.159 50 0 KKAAHM O=C1c2ccccc2C(=CNc2ccc(Cl)cc2)C(=O)N1c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000103004999 555203247 /nfs/dbraw/zinc/20/32/47/555203247.db2.gz HUBISZDKNQOXOL-ULJHMMPZSA-N -1 3 547.995 5.920 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)ccc2C)cc1 ZINC000103013147 555207488 /nfs/dbraw/zinc/20/74/88/555207488.db2.gz 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Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000229949019 572173168 /nfs/dbraw/zinc/17/31/68/572173168.db2.gz FSTVWFOEGZOODZ-BQUCCUTGSA-N -1 3 551.067 6.566 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229986006 572176798 /nfs/dbraw/zinc/17/67/98/572176798.db2.gz JACJOPKJWBWRCX-OVDFTCDZSA-N -1 3 502.595 5.604 50 0 KKAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000229978974 572176823 /nfs/dbraw/zinc/17/68/23/572176823.db2.gz WFPOBVUWSZPAPJ-BHDDXSALSA-N -1 3 502.876 5.419 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000230023510 572179613 /nfs/dbraw/zinc/17/96/13/572179613.db2.gz WTJIPHOSJJPFAA-OYUWMTPXSA-N -1 3 549.410 6.703 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000230033673 572180659 /nfs/dbraw/zinc/18/06/59/572180659.db2.gz GQBTWXTZAZMSLV-UPRLRBBYSA-N -1 3 510.977 5.970 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCC)c(OC)c2)cc1 ZINC000230032901 572180682 /nfs/dbraw/zinc/18/06/82/572180682.db2.gz OYEMGILYTNZQOA-ZGIBFIJWSA-N -1 3 530.621 5.714 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230080174 572182736 /nfs/dbraw/zinc/18/27/36/572182736.db2.gz FNDYDIKFWGWYQF-JDONGJSOSA-N -1 3 536.628 5.292 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000230075543 572182773 /nfs/dbraw/zinc/18/27/73/572182773.db2.gz OINBOBWIHPBJSO-PWRODBHTSA-N -1 3 528.200 5.263 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000230189475 572184909 /nfs/dbraw/zinc/18/49/09/572184909.db2.gz CKXIUWLCPFUSTG-KCKIENPLSA-N -1 3 536.678 6.364 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(C)cc1 ZINC000238901394 572188990 /nfs/dbraw/zinc/18/89/90/572188990.db2.gz LYACREYTWOSDBD-DNVJHFABSA-N -1 3 525.026 5.555 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(F)(F)F)cc1)C[C@H](C(C)(C)C)CC2 ZINC000245246406 572219421 /nfs/dbraw/zinc/21/94/21/572219421.db2.gz KROIFPPGQFBDDD-WFQWJIHPSA-N -1 3 628.669 6.635 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247499 572220897 /nfs/dbraw/zinc/22/08/97/572220897.db2.gz TXPDZRGFCPSHFU-MKYOLNSUSA-N -1 3 562.647 5.621 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309742 572227456 /nfs/dbraw/zinc/22/74/56/572227456.db2.gz FXNTZKVFCSKVPN-ACIRYHQQSA-N -1 3 508.593 5.804 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245309776 572227630 /nfs/dbraw/zinc/22/76/30/572227630.db2.gz GFWSHDWZDDBACX-OVDFTCDZSA-N -1 3 517.610 5.389 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245309775 572227647 /nfs/dbraw/zinc/22/76/47/572227647.db2.gz GFWSHDWZDDBACX-KCKIENPLSA-N -1 3 517.610 5.389 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000245310112 572228035 /nfs/dbraw/zinc/22/80/35/572228035.db2.gz HWNDGFQPGNFMEN-BQUCCUTGSA-N -1 3 531.637 5.698 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311020 572228850 /nfs/dbraw/zinc/22/88/50/572228850.db2.gz LNTPTLAVZQVZQM-UODPJZIASA-N -1 3 546.026 5.900 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000245312791 572230221 /nfs/dbraw/zinc/23/02/21/572230221.db2.gz XBGLYYZHIOZHGA-TZRRMPRUSA-N -1 3 512.484 5.425 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000245312641 572230278 /nfs/dbraw/zinc/23/02/78/572230278.db2.gz WTJIPHOSJJPFAA-ZONZVBGPSA-N -1 3 549.410 6.703 50 0 KKAAHM O=C(c1ccc(Br)cc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247857274 572246566 /nfs/dbraw/zinc/24/65/66/572246566.db2.gz KYYFKOQRQJVVSI-BYBRNZAOSA-N -1 3 581.491 6.367 50 0 KKAAHM Cc1[nH]c2ccccc2c1CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1 ZINC000252623247 572270032 /nfs/dbraw/zinc/27/00/32/572270032.db2.gz ONFQVSZYOOWCJN-UHFFFAOYSA-N -1 3 507.558 6.120 50 0 KKAAHM COc1cccc(C([O-])=C2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000253389837 572283446 /nfs/dbraw/zinc/28/34/46/572283446.db2.gz QNJZVDBFOWNGGF-LFMLTOHYSA-N -1 3 632.716 7.001 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410303 572287370 /nfs/dbraw/zinc/28/73/70/572287370.db2.gz NETKSSSITQZGER-CYFIQEHSSA-N -1 3 735.783 5.257 50 0 KKAAHM C=C/C=C\C(=C/C)COc1ccc(-c2n[nH]c(C(=O)NCC)c2-c2ccc(-c3ccccc3)cc2)c([O-])c1 ZINC000823128497 1071281718 /nfs/dbraw/zinc/28/17/18/1071281718.db2.gz YFGDNZMZHGLMRU-YPLYUDPTSA-N -1 3 505.618 6.933 50 0 KKAAHM CCC(C)(C)C1C/C(=C\c2cc(Br)c([O-])c(OC)c2)C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)C1 ZINC000111141152 1071340881 /nfs/dbraw/zinc/34/08/81/1071340881.db2.gz ZJNOTHDAFXTGTR-ZEELXFFVSA-N -1 3 594.340 7.522 50 0 KKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(NN=C(C#N)C(=O)Nc3cc(Cl)ccc3N3CCOCC3)ccc2Cl)c1 ZINC000254304305 1072846158 /nfs/dbraw/zinc/84/61/58/1072846158.db2.gz QYWSZXGDOWQVOU-UHFFFAOYSA-N -1 3 666.385 5.632 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cc(Br)c([O-])c(OC)c2)c(C(C)(C)CC)c1 ZINC000254367836 1072849287 /nfs/dbraw/zinc/84/92/87/1072849287.db2.gz ULIKPGJEVZMQBO-UHFFFAOYSA-N -1 3 547.534 6.848 50 0 KKAAHM CCOc1cc(C=N[N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1c(F)cccc1Cl ZINC000254711980 1072872228 /nfs/dbraw/zinc/87/22/28/1072872228.db2.gz UZSPYXBYPOODAQ-UHFFFAOYSA-N -1 3 516.869 5.037 50 0 KKAAHM O=S(=O)([N-]c1ccccc1Cl)c1cc(N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl ZINC000254721061 1072872982 /nfs/dbraw/zinc/87/29/82/1072872982.db2.gz JTBHZYYBYISBGX-UHFFFAOYSA-N -1 3 548.455 6.793 50 0 KKAAHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000150454732 1072904139 /nfs/dbraw/zinc/90/41/39/1072904139.db2.gz FJMHERHGTMGRIK-UHFFFAOYSA-N -1 3 638.359 6.606 50 0 KKAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1ccccc1C1CCCCC1 ZINC000002108971 291980157 /nfs/dbraw/zinc/98/01/57/291980157.db2.gz BCGIWCUTZNLMGW-BHBYDHKZSA-N -1 3 510.634 6.492 50 0 biogenic,in-vitro KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)cc1 ZINC000000674257 551520942 /nfs/dbraw/zinc/52/09/42/551520942.db2.gz IQSWHWIDYQNQEN-UHFFFAOYSA-N -1 3 555.450 5.819 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C)C2 ZINC000000707198 551531725 /nfs/dbraw/zinc/53/17/25/551531725.db2.gz LWVQHJQBTCKCJX-LLVKDONJSA-N -1 3 597.413 6.386 50 0 KKAAHM Cc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)no1 ZINC000000718551 551535572 /nfs/dbraw/zinc/53/55/72/551535572.db2.gz ZXQLLUWROLRWRT-UHFFFAOYSA-N -1 3 535.074 5.082 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2cc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)c(C(=O)OCC)c1C ZINC000000825522 551544624 /nfs/dbraw/zinc/54/46/24/551544624.db2.gz RKCAGSPYEYUVOT-UHFFFAOYSA-N -1 3 576.553 5.399 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000000830264 551546116 /nfs/dbraw/zinc/54/61/16/551546116.db2.gz SQONQQSMHGNCDI-UHFFFAOYSA-N -1 3 596.610 6.613 50 0 KKAAHM Cc1cc([N-]C(=O)c2nn3c(nc(-c4ccc(Br)cc4)cc3C(F)(F)F)c2Br)no1 ZINC000000996139 551594606 /nfs/dbraw/zinc/59/46/06/551594606.db2.gz LRWITSFVDOJNJS-UHFFFAOYSA-N -1 3 545.113 5.489 50 0 KKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001098534 551608260 /nfs/dbraw/zinc/60/82/60/551608260.db2.gz CUSKDZHPLODYRH-UHFFFAOYSA-N -1 3 591.755 6.062 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000001123659 551613774 /nfs/dbraw/zinc/61/37/74/551613774.db2.gz BAAMQEJBIBBIRF-QFIPXVFZSA-N -1 3 570.779 5.397 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000001214823 551626316 /nfs/dbraw/zinc/62/63/16/551626316.db2.gz BLDCYMSJAVOYEF-RHSMWYFYSA-N -1 3 515.717 5.917 50 0 KKAAHM Cc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000001816990 551707870 /nfs/dbraw/zinc/70/78/70/551707870.db2.gz OKOAJQMZQADTAD-UHFFFAOYSA-N -1 3 546.696 6.495 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000001823607 551709333 /nfs/dbraw/zinc/70/93/33/551709333.db2.gz YPQDCPQVFUCCLG-LEAFIULHSA-N -1 3 519.041 6.529 50 0 biogenic KKAAHM Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n(C3CCCCC3)c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000001863041 551717337 /nfs/dbraw/zinc/71/73/37/551717337.db2.gz PXBLXDOUMTTWDA-UHFFFAOYSA-N -1 3 593.503 6.839 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000001872377 551719947 /nfs/dbraw/zinc/71/99/47/551719947.db2.gz YRTFIEWOVFCHFC-PFBJBMPXSA-N -1 3 569.411 5.719 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(SC)cc1)C[C@H](C(C)(C)C)CC2 ZINC000001874482 551721126 /nfs/dbraw/zinc/72/11/26/551721126.db2.gz PTDBYXRJBFKEMT-CRERUNJKSA-N -1 3 590.767 6.459 50 0 KKAAHM CCCCCCSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000002073915 551748308 /nfs/dbraw/zinc/74/83/08/551748308.db2.gz CBYJNFASDSMHKF-HSZRJFAPSA-N -1 3 512.433 5.583 50 0 KKAAHM CCc1c(C)sc([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)c1C(=O)OC ZINC000002082106 551752272 /nfs/dbraw/zinc/75/22/72/551752272.db2.gz BIWXUQSDWNSYKW-UHFFFAOYSA-N -1 3 597.413 6.157 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Br)sc2c1CC[C@H](C)C2 ZINC000002084005 551753889 /nfs/dbraw/zinc/75/38/89/551753889.db2.gz WABJPOZTMJSOMD-JTQLQIEISA-N -1 3 599.454 6.464 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(Cl)cc1)c1ccccc1I ZINC000002085979 551756027 /nfs/dbraw/zinc/75/60/27/551756027.db2.gz BDVPMSOXLATVTE-IBGZPJMESA-N -1 3 582.623 5.619 50 0 KKAAHM CC[C@H](C)c1ccc(-c2csc([N-]C(=O)c3c(C)onc3-c3ccccc3)c2C(=O)OC(C)C)cc1 ZINC000002090878 551758711 /nfs/dbraw/zinc/75/87/11/551758711.db2.gz SEADHZONHNVFBZ-SFHVURJKSA-N -1 3 502.636 7.710 50 0 KKAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nnc(-c2ccccc2)o1 ZINC000002096966 551761835 /nfs/dbraw/zinc/76/18/35/551761835.db2.gz VFEUILALMUPRPL-UPVQGACJSA-N -1 3 512.591 5.207 50 0 biogenic,in-vitro KKAAHM Cc1ccc(-c2cc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3cc(Br)ccc3n2)cc1 ZINC000002112235 551768079 /nfs/dbraw/zinc/76/80/79/551768079.db2.gz DOEMDGLDFHEXLQ-UHFFFAOYSA-N -1 3 586.511 7.334 50 0 KKAAHM CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4I)ccc3[O-])nc2c1 ZINC000002145378 551776019 /nfs/dbraw/zinc/77/60/19/551776019.db2.gz ZGCPCKPNSXZPRI-UHFFFAOYSA-N -1 3 557.413 6.055 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002199548 551792499 /nfs/dbraw/zinc/79/24/99/551792499.db2.gz FYUFHMAAIMMXGC-YPKYBTACSA-N -1 3 540.575 6.110 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000002258160 551803387 /nfs/dbraw/zinc/80/33/87/551803387.db2.gz MIDUIQKOYYYSTN-NJDAHSKKSA-N -1 3 517.301 5.519 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@H](C)C2 ZINC000002236708 552082935 /nfs/dbraw/zinc/08/29/35/552082935.db2.gz QHNXRBIMXDGBKE-LBPRGKRZSA-N -1 3 548.974 6.294 50 0 KKAAHM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc([O-])c1c2c(-c2ccccc2)nn1-c1ccccc1 ZINC000002269738 552085739 /nfs/dbraw/zinc/08/57/39/552085739.db2.gz XYYNHNQUPJCIHS-UHFFFAOYSA-N -1 3 517.585 6.836 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000002418362 552115518 /nfs/dbraw/zinc/11/55/18/552115518.db2.gz LRMJHMLBWTVHRI-NXCFDTQHSA-N -1 3 541.431 6.232 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002424123 552116434 /nfs/dbraw/zinc/11/64/34/552116434.db2.gz KPHCPOAPZBEPFP-JBOQNHBVSA-N -1 3 538.575 5.855 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002604738 552135528 /nfs/dbraw/zinc/13/55/28/552135528.db2.gz LRQBUERZYYWJBX-UPRLRBBYSA-N -1 3 575.042 5.467 50 0 KKAAHM Cc1ccc(NC(=O)CSCc2nc(=O)c3c(-c4ccc(Br)cc4)csc3[n-]2)cc1C ZINC000002639109 552142212 /nfs/dbraw/zinc/14/22/12/552142212.db2.gz JJUMFLNURGJSOW-UHFFFAOYSA-N -1 3 514.470 5.903 50 0 KKAAHM CCCCSc1nnc2c(n1)O[C@H](c1cc(I)c([O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002745621 552173386 /nfs/dbraw/zinc/17/33/86/552173386.db2.gz FNMQICGRFSGSBZ-HXUWFJFHSA-N -1 3 550.422 5.643 50 0 KKAAHM COc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000002747149 552174162 /nfs/dbraw/zinc/17/41/62/552174162.db2.gz 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COc1ccc(-c2[n-]nc3c2[C@@H](c2c(OC)cccc2OC)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679061 553295998 /nfs/dbraw/zinc/29/59/98/553295998.db2.gz JFCXMNXAFPWZDX-RUZDIDTESA-N -1 3 520.383 5.615 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679080 553296049 /nfs/dbraw/zinc/29/60/49/553296049.db2.gz RUUVYLPIECKMRW-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679080 553296050 /nfs/dbraw/zinc/29/60/50/553296050.db2.gz RUUVYLPIECKMRW-RUZDIDTESA-N -1 3 504.384 5.996 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679271 553296103 /nfs/dbraw/zinc/29/61/03/553296103.db2.gz IFIGFXCQGIDRPJ-RUZDIDTESA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679271 553296105 /nfs/dbraw/zinc/29/61/05/553296105.db2.gz IFIGFXCQGIDRPJ-RUZDIDTESA-N -1 3 516.395 6.074 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679231 553296115 /nfs/dbraw/zinc/29/61/15/553296115.db2.gz AHTUUZZUFCMWOK-DEOSSOPVSA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679231 553296117 /nfs/dbraw/zinc/29/61/17/553296117.db2.gz AHTUUZZUFCMWOK-DEOSSOPVSA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679348 553296267 /nfs/dbraw/zinc/29/62/67/553296267.db2.gz SHDQTOBEEIWHEU-MHZLTWQESA-N -1 3 513.550 5.029 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OC)cc4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009679348 553296269 /nfs/dbraw/zinc/29/62/69/553296269.db2.gz SHDQTOBEEIWHEU-MHZLTWQESA-N -1 3 513.550 5.029 50 0 KKAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCC(=C4c5ccc(Cl)cc5CCc5cccnc54)CC3)c2c1 ZINC000012324334 553358258 /nfs/dbraw/zinc/35/82/58/553358258.db2.gz PRCUYTJPBSCSAC-LJAQVGFWSA-N -1 3 514.025 6.047 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C1CCCCC1 ZINC000012583140 553399418 /nfs/dbraw/zinc/39/94/18/553399418.db2.gz ZKRWQFCBVBKHIC-UHFFFAOYSA-N -1 3 512.459 5.150 50 0 KKAAHM COc1cc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1[O-] ZINC000012586358 553399669 /nfs/dbraw/zinc/39/96/69/553399669.db2.gz GQQZSQWACJKXNA-HDICACEKSA-N -1 3 523.427 5.302 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1CN1CCC(C)CC1 ZINC000013758022 553488576 /nfs/dbraw/zinc/48/85/76/553488576.db2.gz TWXKUKLOLJECQZ-OCBJUFRSSA-N -1 3 525.649 5.287 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)cc3)n2)cc1 ZINC000016994316 553586145 /nfs/dbraw/zinc/58/61/45/553586145.db2.gz QMMHVXMFHBHDSJ-UHFFFAOYSA-N -1 3 503.628 6.007 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(OC)c(C)c4)cc3)n2)cc1 ZINC000017011349 553586281 /nfs/dbraw/zinc/58/62/81/553586281.db2.gz JUSLNBPDHNOTLE-UHFFFAOYSA-N -1 3 505.600 5.399 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C(C)C)ccc4C)cc3)n2)cc1 ZINC000017121387 553588148 /nfs/dbraw/zinc/58/81/48/553588148.db2.gz NEJJKJUPAZVJPZ-UHFFFAOYSA-N -1 3 517.655 6.513 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017949714 553600704 /nfs/dbraw/zinc/60/07/04/553600704.db2.gz FGOMSAZEUOUEFS-VJGNERBWSA-N -1 3 504.558 5.454 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018061410 553602521 /nfs/dbraw/zinc/60/25/21/553602521.db2.gz SSMXUCCOZRWLOK-OCBJUFRSSA-N -1 3 522.601 6.078 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018069057 553603396 /nfs/dbraw/zinc/60/33/96/553603396.db2.gz DCMUYFQVYOWONS-NXCFDTQHSA-N -1 3 506.986 5.579 50 0 KKAAHM CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2cc3c(c([O-])c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 ZINC000079188782 553667012 /nfs/dbraw/zinc/66/70/12/553667012.db2.gz YRWSFGPFHZGCMT-GCGBMGQQSA-N -1 3 506.595 6.102 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1OC ZINC000079191330 553667999 /nfs/dbraw/zinc/66/79/99/553667999.db2.gz KWAZFLOXEMEBIS-CFFLWPGWSA-N -1 3 538.593 5.341 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc2c1OCCO2 ZINC000079191685 553668370 /nfs/dbraw/zinc/66/83/70/553668370.db2.gz FBPSYIIKRBDYNL-LIEUZMQSSA-N -1 3 536.577 5.095 50 0 KKAAHM CC(C)Oc1cccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079194079 553669021 /nfs/dbraw/zinc/66/90/21/553669021.db2.gz POYQIEJGZKPZMX-LTOROYLOSA-N -1 3 506.595 6.102 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1)C(F)(F)F ZINC000079221078 553671536 /nfs/dbraw/zinc/67/15/36/553671536.db2.gz CWZAYZHRFRWXQC-NBKDPJCBSA-N -1 3 709.956 9.522 50 0 biogenic KKAAHM CC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@H](C)CCCC(=O)CCCC=C5)o2)cc1 ZINC000085877491 553689287 /nfs/dbraw/zinc/68/92/87/553689287.db2.gz HVKYPHHHEFMRSF-VLYAUXIGSA-N -1 3 556.611 6.778 50 0 KKAAHM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000085879515 553689721 /nfs/dbraw/zinc/68/97/21/553689721.db2.gz HHUIWNOORXBLOX-NRZUMHFXSA-N -1 3 598.692 6.945 50 0 KKAAHM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)cc2)cc1 ZINC000085879528 553689745 /nfs/dbraw/zinc/68/97/45/553689745.db2.gz HHUIWNOORXBLOX-DKVZFFSGSA-N -1 3 598.692 6.945 50 0 KKAAHM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852763 553761520 /nfs/dbraw/zinc/76/15/20/553761520.db2.gz GIGNOQGLTXEEIJ-SANMLTNESA-N -1 3 530.097 5.955 50 0 KKAAHM COc1ccc2c(Cl)c(C(=O)NC(=S)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3)sc2c1 ZINC000097940347 553764585 /nfs/dbraw/zinc/76/45/85/553764585.db2.gz GVHCMOWPVNQKFL-UHFFFAOYSA-N -1 3 560.122 6.108 50 0 KKAAHM CCOC(=O)c1sc(N2C(=O)C([O-])=C(c3nc4ccccc4s3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000024193145 553790238 /nfs/dbraw/zinc/79/02/38/553790238.db2.gz USEVIQPXUJBFNL-IBGZPJMESA-N -1 3 507.593 5.304 50 0 KKAAHM CCCCCN(CCCCC)S(=O)(=O)c1ccc(OCC)c(-c2nc3c(C(C)(C)C)nn(C)c3c(=O)[n-]2)c1 ZINC000097950376 553804247 /nfs/dbraw/zinc/80/42/47/553804247.db2.gz TVBYWLQRNMEIRZ-UHFFFAOYSA-N -1 3 545.750 5.391 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000097954874 553825892 /nfs/dbraw/zinc/82/58/92/553825892.db2.gz YTBXJCRIBIBBEH-NJDAHSKKSA-N -1 3 535.291 5.658 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000097954869 553825993 /nfs/dbraw/zinc/82/59/93/553825993.db2.gz CWSHZTDTVXGPNQ-QHAWAJNXSA-N -1 3 536.184 5.946 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc(Br)c1[O-] ZINC000097956270 553837372 /nfs/dbraw/zinc/83/73/72/553837372.db2.gz ONSXXLHPZRWREN-OAQYLSRUSA-N -1 3 521.367 5.027 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(OC)cc5)no4)c3)cc2)cc1 ZINC000032974751 553883801 /nfs/dbraw/zinc/88/38/01/553883801.db2.gz JMXLRXVDJOAALR-UHFFFAOYSA-N -1 3 515.595 5.020 50 0 KKAAHM O=C(COc1ccc(Cl)cc1Cl)[N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1 ZINC000033358449 553955683 /nfs/dbraw/zinc/95/56/83/553955683.db2.gz AMYBRUFZJXKHCJ-UHFFFAOYSA-N -1 3 519.182 5.282 50 0 KKAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 ZINC000008685491 561707437 /nfs/dbraw/zinc/70/74/37/561707437.db2.gz TZCDPJMXJYOUEA-WKTQQXIRSA-N -1 3 547.681 5.326 50 0 KKAAHM COc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc(OC)c1OC ZINC000097980142 553985840 /nfs/dbraw/zinc/98/58/40/553985840.db2.gz SBXBFDMUBADTPR-JLHYYAGUSA-N -1 3 572.083 5.419 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc3N3CCCC3)C2=O)cc1 ZINC000097980464 553988975 /nfs/dbraw/zinc/98/89/75/553988975.db2.gz GLHZJZZJNVGWID-SXBRIOAWSA-N -1 3 666.756 5.913 50 0 KKAAHM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(C(=O)Nc2c3ccccc3oc2C(=O)OCC)s1 ZINC000097985312 554022528 /nfs/dbraw/zinc/02/25/28/554022528.db2.gz VWQSOZHHAUROAN-UHFFFAOYSA-N -1 3 546.557 6.099 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3cccc(Br)c3)co2)s1)c1cccs1 ZINC000097990882 554029885 /nfs/dbraw/zinc/02/98/85/554029885.db2.gz VCKUXBMONCXTJE-UHFFFAOYSA-N -1 3 550.437 5.079 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(Br)o4)cc3C(F)(F)F)c2Br)sc2c1CCCC2 ZINC000098002700 554054163 /nfs/dbraw/zinc/05/41/63/554054163.db2.gz QTOLVPMYMLTTJH-UHFFFAOYSA-N -1 3 648.255 6.512 50 0 KKAAHM CCOC(=O)c1c([N-][C@](NC(=O)c2cccc(C)c2)(C(=O)OC)C(F)(F)F)sc(CC)c1-c1ccccc1 ZINC000098003630 554055379 /nfs/dbraw/zinc/05/53/79/554055379.db2.gz QRJJNGNPHSZTCX-AREMUKBSSA-N -1 3 548.583 5.736 50 0 KKAAHM O=C([N-]c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cc(-c2ccc(F)c(F)c2)on1 ZINC000035671713 554062515 /nfs/dbraw/zinc/06/25/15/554062515.db2.gz OBQSQILUEBNJDP-UHFFFAOYSA-N -1 3 502.502 6.248 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(OC(C)C)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000035794520 554074889 /nfs/dbraw/zinc/07/48/89/554074889.db2.gz MPGFSAFRELGUNV-UHFFFAOYSA-N -1 3 516.545 5.850 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843303 554082071 /nfs/dbraw/zinc/08/20/71/554082071.db2.gz WTVFNLGSSLDTBR-UUQNIDNHSA-N -1 3 514.556 5.682 50 0 KKAAHM CC[C@@H](C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)CC1CC1)c1ccccc1 ZINC000035946423 554103156 /nfs/dbraw/zinc/10/31/56/554103156.db2.gz GWZXFBBOFXUUNQ-MUUNZHRXSA-N -1 3 535.710 5.494 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000098046747 554143084 /nfs/dbraw/zinc/14/30/84/554143084.db2.gz SSCIQPUMULPQKS-JOCHJYFZSA-N -1 3 601.247 5.786 50 0 KKAAHM CCOc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1[O-] ZINC000098049855 554169472 /nfs/dbraw/zinc/16/94/72/554169472.db2.gz IOWUBWBSTMONTO-UHFFFAOYSA-N -1 3 603.517 5.329 50 0 KKAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000098050215 554173251 /nfs/dbraw/zinc/17/32/51/554173251.db2.gz SQAQMURKIMYPOZ-KNFYQODVSA-N -1 3 651.092 6.183 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000059103225 554379177 /nfs/dbraw/zinc/37/91/77/554379177.db2.gz YTHMWGGEQAVZGV-AREMUKBSSA-N -1 3 546.421 6.164 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000059103225 554379181 /nfs/dbraw/zinc/37/91/81/554379181.db2.gz YTHMWGGEQAVZGV-AREMUKBSSA-N -1 3 546.421 6.164 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000059103197 554379194 /nfs/dbraw/zinc/37/91/94/554379194.db2.gz HGDSLBSWBOTYSC-AREMUKBSSA-N -1 3 546.421 6.164 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000059103197 554379190 /nfs/dbraw/zinc/37/91/90/554379190.db2.gz HGDSLBSWBOTYSC-AREMUKBSSA-N -1 3 546.421 6.164 50 0 KKAAHM O=C(COc1ccc(Cl)cc1Cl)[N-][C@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100683485 554448407 /nfs/dbraw/zinc/44/84/07/554448407.db2.gz ZTJFARPOWBTOIT-OAHLLOKOSA-N -1 3 570.540 6.478 50 0 KKAAHM Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000100821365 554480778 /nfs/dbraw/zinc/48/07/78/554480778.db2.gz JKQIZADAYPLESJ-QFIPXVFZSA-N -1 3 544.637 5.088 50 0 KKAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000100842560 554490005 /nfs/dbraw/zinc/49/00/05/554490005.db2.gz NKLBVNNNXBHBSV-CTNGQTDRSA-N -1 3 514.301 5.250 50 0 KKAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(Nc4ccc(OC)cc4)n3)cc2)cc1C ZINC000100957646 554540651 /nfs/dbraw/zinc/54/06/51/554540651.db2.gz GRCQPCNSIGMSPT-UHFFFAOYSA-N -1 3 533.654 6.097 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000101039683 554567383 /nfs/dbraw/zinc/56/73/83/554567383.db2.gz PIRBRNQHTGCYQV-JOCHJYFZSA-N -1 3 524.342 5.463 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101076327 554577757 /nfs/dbraw/zinc/57/77/57/554577757.db2.gz YRTFIEWOVFCHFC-VJGNERBWSA-N -1 3 569.411 5.719 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000101076338 554577862 /nfs/dbraw/zinc/57/78/62/554577862.db2.gz JLVPVMTYDNZYLF-ZONZVBGPSA-N -1 3 605.466 5.268 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000101076340 554577887 /nfs/dbraw/zinc/57/78/87/554577887.db2.gz JLVPVMTYDNZYLF-KWXIBIRDSA-N -1 3 605.466 5.268 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000101084564 554580262 /nfs/dbraw/zinc/58/02/62/554580262.db2.gz DLRWMULHGRLADS-DSNGMDLFSA-N -1 3 594.259 6.523 50 0 KKAAHM COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cc6ccccc6cc5[O-])nc4c32)cc1 ZINC000101111676 554641965 /nfs/dbraw/zinc/64/19/65/554641965.db2.gz IOBMUCFJXRWKMV-NDEPHWFRSA-N -1 3 522.564 7.098 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101119577 554643624 /nfs/dbraw/zinc/64/36/24/554643624.db2.gz LRMJHMLBWTVHRI-CYXNTTPDSA-N -1 3 541.431 6.232 50 0 KKAAHM COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1 ZINC000101143117 554655127 /nfs/dbraw/zinc/65/51/27/554655127.db2.gz ICLMDOUHZPFQEH-MHZLTWQESA-N -1 3 522.564 7.098 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101154327 554658269 /nfs/dbraw/zinc/65/82/69/554658269.db2.gz HSHCZSPOSYRBCV-FCEKVYKBSA-N -1 3 516.594 5.324 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101157377 554659093 /nfs/dbraw/zinc/65/90/93/554659093.db2.gz KPHCPOAPZBEPFP-OCBJUFRSSA-N -1 3 538.575 5.855 50 0 KKAAHM COc1ccc([C@@H]2c3c4nc(-c5cc6ccccc6cc5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000101361947 554743227 /nfs/dbraw/zinc/74/32/27/554743227.db2.gz CEIADOUTNKLWDM-LJAQVGFWSA-N -1 3 552.590 7.106 50 0 KKAAHM CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000101473186 554781733 /nfs/dbraw/zinc/78/17/33/554781733.db2.gz TZWHFKKEPFESLL-YMSBRDKKSA-N -1 3 612.514 5.089 50 0 KKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000101813836 554840004 /nfs/dbraw/zinc/84/00/04/554840004.db2.gz NXMJRWURNISLNY-QFIPXVFZSA-N -1 3 538.714 5.216 50 0 KKAAHM COc1ccc2c(CNCc3cc(Br)ccc3OC)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1 ZINC000102090150 554877481 /nfs/dbraw/zinc/87/74/81/554877481.db2.gz OKOMKMFBNBYQFG-UHFFFAOYSA-N -1 3 527.390 5.596 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102557663 554965570 /nfs/dbraw/zinc/96/55/70/554965570.db2.gz QRFDFRRFGPLMDF-QAXCHELISA-N -1 3 570.601 6.119 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102559520 554966878 /nfs/dbraw/zinc/96/68/78/554966878.db2.gz SNCHPGRCAVKONL-NHKHRBQYSA-N -1 3 619.899 6.741 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(F)c1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102699547 555012697 /nfs/dbraw/zinc/01/26/97/555012697.db2.gz QJXDTMLOXINXMS-PCCBWWKXSA-N -1 3 501.739 5.293 50 0 KKAAHM CCCN1c2ccc(-c3noc([C@H]([N-]S(=O)(=O)c4ccc(C)cc4)C(C)C)n3)cc2Sc2ccccc2C1=O ZINC000102700161 555012715 /nfs/dbraw/zinc/01/27/15/555012715.db2.gz NEMBOBNBVLRYLS-AREMUKBSSA-N -1 3 562.717 6.242 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 ZINC000102743866 555035015 /nfs/dbraw/zinc/03/50/15/555035015.db2.gz BUFVHZOLWAUEGK-YTCPBCGMSA-N -1 3 530.621 5.714 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000102744323 555035461 /nfs/dbraw/zinc/03/54/61/555035461.db2.gz OOSVWNFTSWRROP-UODIDJSMSA-N -1 3 519.384 6.613 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102746571 555039136 /nfs/dbraw/zinc/03/91/36/555039136.db2.gz NVILDXNSTJZWOP-OYUWMTPXSA-N -1 3 508.505 5.096 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102747406 555040964 /nfs/dbraw/zinc/04/09/64/555040964.db2.gz FOKPNSNZLXFBGO-YPAWHYETSA-N -1 3 519.768 5.412 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cc(Cl)cc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000102749599 555043695 /nfs/dbraw/zinc/04/36/95/555043695.db2.gz DYRVIGRDKPJWKJ-JCYYIGJDSA-N -1 3 545.422 6.624 50 0 KKAAHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102749405 555043750 /nfs/dbraw/zinc/04/37/50/555043750.db2.gz PHZGVBIVILFIRP-ZGIBFIJWSA-N -1 3 518.569 5.519 50 0 KKAAHM CC[C@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1cccc(Cl)c1 ZINC000102750555 555044193 /nfs/dbraw/zinc/04/41/93/555044193.db2.gz BVWQJERBPGATMI-IBGZPJMESA-N -1 3 607.939 5.532 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102750989 555044277 /nfs/dbraw/zinc/04/42/77/555044277.db2.gz BFHZBYQUUPPMNC-IDZRBWSNSA-N -1 3 538.575 5.855 50 0 KKAAHM CC[C@@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1cccc(Cl)c1 ZINC000102750557 555044287 /nfs/dbraw/zinc/04/42/87/555044287.db2.gz BVWQJERBPGATMI-LJQANCHMSA-N -1 3 607.939 5.532 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000102751522 555044509 /nfs/dbraw/zinc/04/45/09/555044509.db2.gz YBRGIXYXKSSPOO-JCYYIGJDSA-N -1 3 504.542 5.265 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102751601 555044526 /nfs/dbraw/zinc/04/45/26/555044526.db2.gz VMRLDZUTROYXCR-JCYYIGJDSA-N -1 3 516.594 5.324 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000102757296 555050009 /nfs/dbraw/zinc/05/00/09/555050009.db2.gz OCRCVPBFALTMSO-SSBOKUKZSA-N -1 3 534.568 5.356 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000102757868 555050315 /nfs/dbraw/zinc/05/03/15/555050315.db2.gz POVRGIYDCPLPPR-JIMJEQGWSA-N -1 3 519.384 6.613 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCCC)c(OC)c2)cc1 ZINC000102759343 555051206 /nfs/dbraw/zinc/05/12/06/555051206.db2.gz OYEMGILYTNZQOA-YTCPBCGMSA-N -1 3 530.621 5.714 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102761583 555052636 /nfs/dbraw/zinc/05/26/36/555052636.db2.gz PYKBDSGRJSXQIY-YPAWHYETSA-N -1 3 513.775 5.162 50 0 KKAAHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000102762106 555053151 /nfs/dbraw/zinc/05/31/51/555053151.db2.gz ABSHEGAFHJLYPM-TZRRMPRUSA-N -1 3 507.384 5.071 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102765161 555054757 /nfs/dbraw/zinc/05/47/57/555054757.db2.gz APJKPZYGRPGHCC-YPAWHYETSA-N -1 3 513.775 5.162 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000102766875 555055558 /nfs/dbraw/zinc/05/55/58/555055558.db2.gz YLDPQEKCJYKKRK-KMDXXIMOSA-N -1 3 507.384 5.289 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(OC)cc1OC)CCCC2 ZINC000102861393 555091655 /nfs/dbraw/zinc/09/16/55/555091655.db2.gz RFRBKAHNUSAJDB-UBFVSLLYSA-N -1 3 583.062 5.135 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1OC ZINC000102869273 555098652 /nfs/dbraw/zinc/09/86/52/555098652.db2.gz VSSSKKMRBGOJKO-NXCFDTQHSA-N -1 3 575.876 6.885 50 0 KKAAHM O=S(=O)(NCc1ccc(-c2nnc([N-]c3ccccc3C(F)(F)F)s2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000102878494 555107726 /nfs/dbraw/zinc/10/77/26/555107726.db2.gz CDFNPBKQBRKQKK-UHFFFAOYSA-N -1 3 559.422 6.753 50 0 KKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(I)cc1 ZINC000102887982 555120541 /nfs/dbraw/zinc/12/05/41/555120541.db2.gz ZQFYXGCHMVUXDE-LJQANCHMSA-N -1 3 511.363 6.033 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888986 555122709 /nfs/dbraw/zinc/12/27/09/555122709.db2.gz AAAJFWWGPFFRCY-NLDZOOGBSA-N -1 3 603.444 6.227 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102894433 555132397 /nfs/dbraw/zinc/13/23/97/555132397.db2.gz MERBINIMWJKIGN-IARZGTGTSA-N -1 3 572.976 5.758 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000102895457 555134272 /nfs/dbraw/zinc/13/42/72/555134272.db2.gz XQCRCPJDQNIMTH-KWXIBIRDSA-N -1 3 561.015 5.159 50 0 KKAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1OC ZINC000102909132 555141969 /nfs/dbraw/zinc/14/19/69/555141969.db2.gz XUOXXBNDWMEXAH-CYBMUJFWSA-N -1 3 571.410 5.135 50 0 KKAAHM O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000102927894 555152678 /nfs/dbraw/zinc/15/26/78/555152678.db2.gz HELVFIRKMINFQG-UHFFFAOYSA-N -1 3 544.624 5.639 50 0 KKAAHM Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n(CCc3ccccc3)c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000102930297 555156717 /nfs/dbraw/zinc/15/67/17/555156717.db2.gz WFTILODEROPBAU-UHFFFAOYSA-N -1 3 615.509 6.576 50 0 KKAAHM COc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4c(C)n(C)n(-c5ccccc5)c4=O)c3)cc2)cc1 ZINC000102938396 555166648 /nfs/dbraw/zinc/16/66/48/555166648.db2.gz ZNZNFAJZFTVSCU-UHFFFAOYSA-N -1 3 618.115 5.943 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1cccc(Br)c1)[C@H]2c1ccc(Cl)cc1 ZINC000103025164 555215527 /nfs/dbraw/zinc/21/55/27/555215527.db2.gz DWQJRWLAKZVBOH-QHAWAJNXSA-N -1 3 551.746 6.172 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(Cl)cc1Cl)CCCC2 ZINC000103259805 555346295 /nfs/dbraw/zinc/34/62/95/555346295.db2.gz XTRNVABMZXBDQI-RJGXRXQPSA-N -1 3 557.455 5.771 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103527354 555429047 /nfs/dbraw/zinc/42/90/47/555429047.db2.gz TZKKNIYAEZJSNX-MFUXGYHDSA-N -1 3 537.040 6.258 50 0 KKAAHM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000103529330 555429975 /nfs/dbraw/zinc/42/99/75/555429975.db2.gz GGJSBAVHTXLFCL-OVDFTCDZSA-N -1 3 537.040 6.258 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000105796215 571408698 /nfs/dbraw/zinc/40/86/98/571408698.db2.gz QRFDFRRFGPLMDF-XWHIBYANSA-N -1 3 570.601 6.119 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000105795208 571408734 /nfs/dbraw/zinc/40/87/34/571408734.db2.gz QBPQPBWTXZKNEU-JCYYIGJDSA-N -1 3 617.427 5.867 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000105906385 571409302 /nfs/dbraw/zinc/40/93/02/571409302.db2.gz LDFOLHSLSBNNIK-DNVJHFABSA-N -1 3 516.903 5.809 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000106021067 571410952 /nfs/dbraw/zinc/41/09/52/571410952.db2.gz FHXQIRVYTMGMNN-YGGCMVMVSA-N -1 3 583.446 6.989 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000106534673 571412710 /nfs/dbraw/zinc/41/27/10/571412710.db2.gz JLVPVMTYDNZYLF-OYUWMTPXSA-N -1 3 605.466 5.268 50 0 KKAAHM Cc1cc(C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805905 571418401 /nfs/dbraw/zinc/41/84/01/571418401.db2.gz PCLIYQSQRUVLBO-TWJOJJKGSA-N -1 3 577.424 5.306 50 0 KKAAHM COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108447760 571423934 /nfs/dbraw/zinc/42/39/34/571423934.db2.gz DRZFQRJUWTWWDU-SANMLTNESA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM O=C1C[C@H](c2cccc(OCCc3ccc4c(c3)CCO4)c2)c2c(ccc3c(=O)c(-c4ccc([O-])cc4)coc32)O1 ZINC000108450005 571425005 /nfs/dbraw/zinc/42/50/05/571425005.db2.gz SAAUMNQXFJKAPQ-HHHXNRCGSA-N -1 3 546.575 6.163 50 0 biogenic KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000136068090 571449143 /nfs/dbraw/zinc/44/91/43/571449143.db2.gz FWUSQWTUKCTQJP-PCCBWWKXSA-N -1 3 517.301 5.519 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000136430881 571449377 /nfs/dbraw/zinc/44/93/77/571449377.db2.gz HEMZGEPJUBCQCC-PCCBWWKXSA-N -1 3 501.739 5.293 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(OC(F)F)cc1 ZINC000137809545 571450601 /nfs/dbraw/zinc/45/06/01/571450601.db2.gz RVRWYUMQGDPBPJ-PCCBWWKXSA-N -1 3 504.411 5.358 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000137824857 571450645 /nfs/dbraw/zinc/45/06/45/571450645.db2.gz SBRNQJTWTNZDQK-UNCTUWKVSA-N -1 3 512.650 6.347 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137850199 571450656 /nfs/dbraw/zinc/45/06/56/571450656.db2.gz PFQCQWMNQSYIRF-JIMJEQGWSA-N -1 3 506.986 5.579 50 0 KKAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C(=O)Nc6ccccc6O)cc5C4=O)cc3)cc1)C2=O ZINC000150392359 571474534 /nfs/dbraw/zinc/47/45/34/571474534.db2.gz HPKDHZLMSKJTKZ-UHFFFAOYSA-N -1 3 778.755 6.036 50 0 KKAAHM COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000150427224 571491420 /nfs/dbraw/zinc/49/14/20/571491420.db2.gz FGYYPHHHKIKHSP-UHFFFAOYSA-N -1 3 688.622 5.649 50 0 KKAAHM O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1C(=C([O-])c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150428309 571491894 /nfs/dbraw/zinc/49/18/94/571491894.db2.gz HFKVUXRQAYZYBS-GEHWIAFRSA-N -1 3 681.586 7.755 50 0 KKAAHM CC1(C)C[C@H](n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCC2)CCO1 ZINC000150428544 571492127 /nfs/dbraw/zinc/49/21/27/571492127.db2.gz LEEXNXTVWKGQDQ-HHHXNRCGSA-N -1 3 660.884 8.231 50 0 KKAAHM CC1(C)C[C@@H](n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCC2)CCO1 ZINC000150428547 571492160 /nfs/dbraw/zinc/49/21/60/571492160.db2.gz LEEXNXTVWKGQDQ-MHZLTWQESA-N -1 3 660.884 8.231 50 0 KKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000150440965 571498207 /nfs/dbraw/zinc/49/82/07/571498207.db2.gz UMHFMZJMLXUIQY-HEWRYCQJSA-N -1 3 651.657 8.221 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000150443000 571499303 /nfs/dbraw/zinc/49/93/03/571499303.db2.gz FDJLEYGRIBCKQC-DSNGMDLFSA-N -1 3 631.253 6.909 50 0 KKAAHM COc1ccc(N(C(=O)c2sc3cc(F)ccc3c2Cl)S(=O)(=O)c2ccc(Cl)c([N-]C(=O)c3sc4cc(F)ccc4c3Cl)c2)cc1 ZINC000150444766 571499954 /nfs/dbraw/zinc/49/99/54/571499954.db2.gz RNHVQVTXEVFQSX-UHFFFAOYSA-N -1 3 738.042 9.651 50 0 KKAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nn(C(=S)NC(=O)c2c(C)onc2-c2ccccc2Cl)c2nc3ccccc3n12 ZINC000150456517 571504507 /nfs/dbraw/zinc/50/45/07/571504507.db2.gz VUAFZJIOCREHPN-UHFFFAOYSA-N -1 3 671.526 6.733 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457379 571504726 /nfs/dbraw/zinc/50/47/26/571504726.db2.gz QBRYVBBYJJPODK-NLDZOOGBSA-N -1 3 664.350 6.850 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150460814 571506043 /nfs/dbraw/zinc/50/60/43/571506043.db2.gz MGTJASIYSAQREB-UHFFFAOYSA-N -1 3 623.902 5.041 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150461305 571506415 /nfs/dbraw/zinc/50/64/15/571506415.db2.gz JXTCYNUWDWHGMN-INIZCTEOSA-N -1 3 637.929 5.429 50 0 KKAAHM COc1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000170626731 571563048 /nfs/dbraw/zinc/56/30/48/571563048.db2.gz STNZKMOCEDRNPR-CYBMUJFWSA-N -1 3 545.897 6.576 50 0 KKAAHM COc1cc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000170626730 571563130 /nfs/dbraw/zinc/56/31/30/571563130.db2.gz STNZKMOCEDRNPR-ZDUSSCGKSA-N -1 3 545.897 6.576 50 0 KKAAHM CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(Cc2c(O)c(C(C)(C)c3ccccc3)cc(C(C)(C)c3ccccc3)c2O)c1[O-] ZINC000198683771 571568069 /nfs/dbraw/zinc/56/80/69/571568069.db2.gz NJLPJUKMMNNTDZ-UHFFFAOYSA-N -1 3 704.951 11.403 50 0 KKAAHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261491809 572110460 /nfs/dbraw/zinc/11/04/60/572110460.db2.gz KVAGHMVJYGXZJJ-DEOSSOPVSA-N -1 3 503.965 5.053 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000226820527 572141915 /nfs/dbraw/zinc/14/19/15/572141915.db2.gz CFJLSOMVIOXMQA-UPRLRBBYSA-N -1 3 538.531 5.105 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226815696 572141937 /nfs/dbraw/zinc/14/19/37/572141937.db2.gz SXWCNTMBKSVPGS-OYUWMTPXSA-N -1 3 504.558 5.454 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000226816220 572141989 /nfs/dbraw/zinc/14/19/89/572141989.db2.gz BOVVKZHOTIIIKU-YTCPBCGMSA-N -1 3 534.568 5.356 50 0 KKAAHM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000226856933 572144155 /nfs/dbraw/zinc/14/41/55/572144155.db2.gz WOOBXIQFTGUXPE-CTMYTVLESA-N -1 3 541.607 5.336 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000226913444 572145143 /nfs/dbraw/zinc/14/51/43/572145143.db2.gz GKAZYFQOEUZNOQ-DCMQHHMNSA-N -1 3 528.608 6.143 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227022285 572147221 /nfs/dbraw/zinc/14/72/21/572147221.db2.gz RFPUSBURMCLQQW-UIUKDCGCSA-N -1 3 590.701 6.320 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227025782 572147574 /nfs/dbraw/zinc/14/75/74/572147574.db2.gz SNCHPGRCAVKONL-ZGIBFIJWSA-N -1 3 619.899 6.741 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227023648 572147653 /nfs/dbraw/zinc/14/76/53/572147653.db2.gz WAFWNJKJZKCBQE-ZGIBFIJWSA-N -1 3 654.344 7.395 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000227075372 572148937 /nfs/dbraw/zinc/14/89/37/572148937.db2.gz YIFRWDZXGTYRFT-CCDWMCETSA-N -1 3 631.253 6.909 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000227070634 572149136 /nfs/dbraw/zinc/14/91/36/572149136.db2.gz LTTLZXONYUPTKE-ALBQUZEBSA-N -1 3 571.485 6.911 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000227086493 572150331 /nfs/dbraw/zinc/15/03/31/572150331.db2.gz VAQHQBSKIMNHHU-RWSKJCERSA-N -1 3 576.630 5.659 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000227246206 572152798 /nfs/dbraw/zinc/15/27/98/572152798.db2.gz ULDGKVJMNWIMNF-RWSKJCERSA-N -1 3 576.630 5.659 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000227252590 572153570 /nfs/dbraw/zinc/15/35/70/572153570.db2.gz GWKJFVPKSTWKQX-OIFRRMEBSA-N -1 3 582.584 5.503 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(F)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000229934959 572171137 /nfs/dbraw/zinc/17/11/37/572171137.db2.gz DHGOHVNIBQWKDW-TYKYNWMQSA-N -1 3 562.663 5.876 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000229933150 572171183 /nfs/dbraw/zinc/17/11/83/572171183.db2.gz BDJWIZPTFYWCMS-JIMJEQGWSA-N -1 3 551.437 5.688 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000229940860 572172605 /nfs/dbraw/zinc/17/26/05/572172605.db2.gz HPNZLCQQRNYUOT-ZGIBFIJWSA-N -1 3 555.417 7.458 50 0 KKAAHM CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000229969219 572175233 /nfs/dbraw/zinc/17/52/33/572175233.db2.gz NVSQTSPYGFBEPW-JIMJEQGWSA-N -1 3 530.646 5.472 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229968764 572175269 /nfs/dbraw/zinc/17/52/69/572175269.db2.gz JTYPFJWUCDYBCH-BHDDXSALSA-N -1 3 579.889 6.553 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229968780 572175292 /nfs/dbraw/zinc/17/52/92/572175292.db2.gz WIVDQADKGXYRHZ-PWRODBHTSA-N -1 3 565.862 6.163 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(C)cc1 ZINC000229968452 572175396 /nfs/dbraw/zinc/17/53/96/572175396.db2.gz ZIJMFWKGPORGGN-BHDDXSALSA-N -1 3 510.999 5.164 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000230015403 572179007 /nfs/dbraw/zinc/17/90/07/572179007.db2.gz VCKRTHALUFDKKU-JIMJEQGWSA-N -1 3 519.384 6.613 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000230017630 572179256 /nfs/dbraw/zinc/17/92/56/572179256.db2.gz WQAQLDOMJVZVAW-BQUCCUTGSA-N -1 3 516.622 5.913 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccccc1)C[C@H](C(C)(C)C)CC2 ZINC000230029785 572180073 /nfs/dbraw/zinc/18/00/73/572180073.db2.gz GYFODTYWKZNASI-NRVHTZAHSA-N -1 3 544.673 5.737 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000230188917 572184918 /nfs/dbraw/zinc/18/49/18/572184918.db2.gz BCEGFARFUFCHIC-YUAOJYLXSA-N -1 3 528.583 5.990 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N(C)[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000244983906 572200821 /nfs/dbraw/zinc/20/08/21/572200821.db2.gz IXCDORJIRFWWHW-MVERNJQCSA-N -1 3 548.945 5.374 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000245242006 572216647 /nfs/dbraw/zinc/21/66/47/572216647.db2.gz WIVDQADKGXYRHZ-NJDAHSKKSA-N -1 3 565.862 6.163 50 0 KKAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 ZINC000245246461 572219250 /nfs/dbraw/zinc/21/92/50/572219250.db2.gz MEKBXZLHXRDSEC-SSBOKUKZSA-N -1 3 506.558 5.325 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245246810 572219816 /nfs/dbraw/zinc/21/98/16/572219816.db2.gz OQXIXKSPTORELV-OVDFTCDZSA-N -1 3 571.485 6.911 50 0 KKAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C([O-])=C3ON2c2ccccc2)cc(Br)c1O ZINC000245246844 572220428 /nfs/dbraw/zinc/22/04/28/572220428.db2.gz PQKAJLOJBQUIGA-JXRAHNLSSA-N -1 3 683.621 6.604 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000245247556 572220740 /nfs/dbraw/zinc/22/07/40/572220740.db2.gz VTVNOTGYZLGYBT-DYIKCSJPSA-N -1 3 504.586 5.934 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000245247783 572221209 /nfs/dbraw/zinc/22/12/09/572221209.db2.gz XFELALQDBMLPHO-IDZRBWSNSA-N -1 3 584.650 5.294 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247840 572221319 /nfs/dbraw/zinc/22/13/19/572221319.db2.gz YEVTYJNCKNYRIU-MKYOLNSUSA-N -1 3 597.092 6.275 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245311085 572228747 /nfs/dbraw/zinc/22/87/47/572228747.db2.gz MENVRHRUVZKQLR-UBFVSLLYSA-N -1 3 537.410 5.298 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000245312528 572229834 /nfs/dbraw/zinc/22/98/34/572229834.db2.gz VPGWVCQZJPOUKZ-TWJOJJKGSA-N -1 3 529.390 6.069 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245324866 572231016 /nfs/dbraw/zinc/23/10/16/572231016.db2.gz BDJWIZPTFYWCMS-TWJOJJKGSA-N -1 3 551.437 5.688 50 0 KKAAHM O=C(c1ccc(Br)cc1)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000247857267 572246576 /nfs/dbraw/zinc/24/65/76/572246576.db2.gz KYYFKOQRQJVVSI-ALBQUZEBSA-N -1 3 581.491 6.367 50 0 KKAAHM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248342232 572258581 /nfs/dbraw/zinc/25/85/81/572258581.db2.gz XURFVSLLBIIBID-YGGCMVMVSA-N -1 3 546.648 6.003 50 0 KKAAHM COc1cccc(C([O-])=C2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000253389836 572283485 /nfs/dbraw/zinc/28/34/85/572283485.db2.gz QNJZVDBFOWNGGF-IBHRRMRLSA-N -1 3 632.716 7.001 50 0 KKAAHM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253409643 572287203 /nfs/dbraw/zinc/28/72/03/572287203.db2.gz MDYZDYBXJAKXOK-CYFIQEHSSA-N -1 3 705.757 5.248 50 0 KKAAHM CSc1ccccc1[N-]C(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827080 1071067168 /nfs/dbraw/zinc/06/71/68/1071067168.db2.gz PYVYTQITDHJVEW-UHFFFAOYSA-N -1 3 513.364 6.213 50 0 KKAAHM Cc1ccc(-c2csc3ncnc(NN=Cc4cc(Br)cc(Br)c4[O-])c23)cc1 ZINC000254591642 1072866019 /nfs/dbraw/zinc/86/60/19/1072866019.db2.gz ACFRRCXROGWADM-UHFFFAOYSA-N -1 3 518.234 6.343 50 0 KKAAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1N=NCc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000254866689 1072886525 /nfs/dbraw/zinc/88/65/25/1072886525.db2.gz QKTSCFOAGNAPQV-UHFFFAOYSA-N -1 3 599.094 5.455 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000000630751 551504798 /nfs/dbraw/zinc/50/47/98/551504798.db2.gz YAAAEDMYMNQHRQ-UHFFFAOYSA-N -1 3 506.649 5.496 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1 ZINC000000856433 551550730 /nfs/dbraw/zinc/55/07/30/551550730.db2.gz KXBOSXYRIFCKNJ-UHFFFAOYSA-N -1 3 520.676 6.189 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1 ZINC000001200491 551623371 /nfs/dbraw/zinc/62/33/71/551623371.db2.gz CFZJSVICEGWSCL-UHFFFAOYSA-N -1 3 520.676 6.080 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000001214821 551626279 /nfs/dbraw/zinc/62/62/79/551626279.db2.gz BLDCYMSJAVOYEF-YOEHRIQHSA-N -1 3 515.717 5.917 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc(Br)c1[O-] ZINC000001283125 551636775 /nfs/dbraw/zinc/63/67/75/551636775.db2.gz XZOZWNARAZXDNI-IBGZPJMESA-N -1 3 513.731 5.068 50 0 KKAAHM O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccccc3F)ccc1-2 ZINC000001410822 551664455 /nfs/dbraw/zinc/66/44/55/551664455.db2.gz WCBNHUGTESMKDF-UHFFFAOYSA-N -1 3 512.559 5.138 50 0 KKAAHM O=C([N-]c1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1)c1ccc(Br)o1 ZINC000001869869 551719401 /nfs/dbraw/zinc/71/94/01/551719401.db2.gz PAOMEQITHQKSHG-UHFFFAOYSA-N -1 3 579.476 6.530 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001897548 551728910 /nfs/dbraw/zinc/72/89/10/551728910.db2.gz ULZKVTIAJPOSSB-OCBJUFRSSA-N -1 3 599.481 6.478 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1[N-]C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000002084178 551753872 /nfs/dbraw/zinc/75/38/72/551753872.db2.gz HISYCLOQIUJEBE-UHFFFAOYSA-N -1 3 538.453 6.238 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(Cl)cc1)c1ccccc1I ZINC000002085980 551756021 /nfs/dbraw/zinc/75/60/21/551756021.db2.gz BDVPMSOXLATVTE-LJQANCHMSA-N -1 3 582.623 5.619 50 0 KKAAHM CCCOC(=O)c1c(-c2ccccc2Cl)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002089026 551758068 /nfs/dbraw/zinc/75/80/68/551758068.db2.gz ZDSIYHUOGDDHHH-UHFFFAOYSA-N -1 3 533.408 7.644 50 0 KKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@@H](c1ccc(Br)cc1)S[C@H]3c1ccc(Br)cc1 ZINC000002117813 551769644 /nfs/dbraw/zinc/76/96/44/551769644.db2.gz GJHRLSBKKHYUGN-RDJZCZTQSA-N -1 3 565.381 7.581 50 0 KKAAHM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C(C)C)ccc3o2)c1 ZINC000002145366 551775980 /nfs/dbraw/zinc/77/59/80/551775980.db2.gz MQJNUOSVONRHJR-UHFFFAOYSA-N -1 3 511.603 6.612 50 0 KKAAHM COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)[C@@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)ccc23)cc1 ZINC000002150368 551777966 /nfs/dbraw/zinc/77/79/66/551777966.db2.gz ABIOTOUATCNNIM-PMERELPUSA-N -1 3 569.635 5.711 50 0 biogenic KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccccc1)(C(=O)OC)C(F)(F)F ZINC000002191921 551790284 /nfs/dbraw/zinc/79/02/84/551790284.db2.gz RZBXXUSVPSSUKZ-XMMPIXPASA-N -1 3 520.529 5.174 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccc(Cl)cc1)(C(=O)OC)C(F)(F)F ZINC000002191925 551790480 /nfs/dbraw/zinc/79/04/80/551790480.db2.gz QTLLJWOULSPZLQ-XMMPIXPASA-N -1 3 554.974 5.827 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccccc1Cl)(C(=O)OC)C(F)(F)F ZINC000002191926 551790514 /nfs/dbraw/zinc/79/05/14/551790514.db2.gz LQHPZJRLXNRQJQ-DEOSSOPVSA-N -1 3 554.974 5.827 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000002411515 552113679 /nfs/dbraw/zinc/11/36/79/552113679.db2.gz CFJLSOMVIOXMQA-IARZGTGTSA-N -1 3 538.531 5.105 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000002412842 552113992 /nfs/dbraw/zinc/11/39/92/552113992.db2.gz QUTMYCXWAXWEMC-NXCFDTQHSA-N -1 3 541.431 6.232 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002591563 552132660 /nfs/dbraw/zinc/13/26/60/552132660.db2.gz CXTVRUVNZZWPLP-SXLOSVNLSA-N -1 3 570.645 6.869 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000002594303 552133952 /nfs/dbraw/zinc/13/39/52/552133952.db2.gz UQGXJZXTNSJLMB-YPMHNXCESA-N -1 3 591.033 6.234 50 0 KKAAHM Cc1ccc(-n2c(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nnc2-c2ccccc2)cc1C ZINC000002641434 552143090 /nfs/dbraw/zinc/14/30/90/552143090.db2.gz OHOSUFINJQDWLJ-UHFFFAOYSA-N -1 3 521.671 6.808 50 0 KKAAHM CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)ccc1OC ZINC000002656718 552149412 /nfs/dbraw/zinc/14/94/12/552149412.db2.gz HKTSYXRABOAZDV-UHFFFAOYSA-N -1 3 572.709 5.441 50 0 KKAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCCC2 ZINC000002717952 552162305 /nfs/dbraw/zinc/16/23/05/552162305.db2.gz NXUWLCSACKHEJR-INIZCTEOSA-N -1 3 551.694 5.044 50 0 KKAAHM COC(=O)c1cc(Sc2ccccc2)sc1[N-]C(=O)c1cc(Br)c(Br)s1 ZINC000002727248 552167574 /nfs/dbraw/zinc/16/75/74/552167574.db2.gz CBZRNHJEMKLMKF-UHFFFAOYSA-N -1 3 533.288 6.525 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc43)cc2)cc1 ZINC000002734184 552169562 /nfs/dbraw/zinc/16/95/62/552169562.db2.gz ZWQZGYINWSUVLL-UHFFFAOYSA-N -1 3 528.033 6.917 50 0 KKAAHM COc1ccccc1NC(=O)c1sc([N-]C(=O)c2ccc(Br)o2)c(C(=O)OC(C)C)c1C ZINC000002761285 552182512 /nfs/dbraw/zinc/18/25/12/552182512.db2.gz SNAQDDLEPBSGCJ-UHFFFAOYSA-N -1 3 521.389 5.490 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000002861834 552204321 /nfs/dbraw/zinc/20/43/21/552204321.db2.gz UITOAJZIMCEARQ-NRFANRHFSA-N -1 3 544.760 5.808 50 0 KKAAHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])n1Cc1ccccc1)Nc1ccccc1Cl ZINC000002877457 552207976 /nfs/dbraw/zinc/20/79/76/552207976.db2.gz XMDJKYAVOVVTIN-UHFFFAOYSA-N -1 3 501.011 6.236 50 0 KKAAHM COc1ccc(-c2c3c(N)c(C(=O)[N-]c4nc(-c5ccccc5)ns4)sc3nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002889112 552210638 /nfs/dbraw/zinc/21/06/38/552210638.db2.gz XLEXHANKCRXYHJ-UHFFFAOYSA-N -1 3 555.685 6.480 50 0 KKAAHM O=C([N-]c1cccc2nsnc21)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000003038141 552271988 /nfs/dbraw/zinc/27/19/88/552271988.db2.gz RPAGBORMGZSNBP-UHFFFAOYSA-N -1 3 519.306 5.435 50 0 KKAAHM O=S(=O)([N-]c1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003129507 552292058 /nfs/dbraw/zinc/29/20/58/552292058.db2.gz DVHVXGXSHIJJQF-UHFFFAOYSA-N -1 3 504.239 6.018 50 0 KKAAHM O=C(NCc1ccccc1Cl)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003221115 552310109 /nfs/dbraw/zinc/31/01/09/552310109.db2.gz YNVKSEDNBPDBNN-UHFFFAOYSA-N -1 3 503.329 5.743 50 0 KKAAHM COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[n-]1 ZINC000003222978 552311267 /nfs/dbraw/zinc/31/12/67/552311267.db2.gz IGLTUHAAOIVEQI-UHFFFAOYSA-N -1 3 540.976 5.767 50 0 KKAAHM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)c2)cc1 ZINC000003240500 552318369 /nfs/dbraw/zinc/31/83/69/552318369.db2.gz FPSCFWQLKLSLIX-CQSZACIVSA-N -1 3 555.867 6.194 50 0 KKAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000003257410 552324594 /nfs/dbraw/zinc/32/45/94/552324594.db2.gz LIAHVEDCOCISIP-AWEZNQCLSA-N -1 3 528.656 6.445 50 0 KKAAHM O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003277547 552334538 /nfs/dbraw/zinc/33/45/38/552334538.db2.gz NYJAAABVWJGHAK-UHFFFAOYSA-N -1 3 503.329 5.743 50 0 KKAAHM Cc1cccc(-n2c(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003360007 552370663 /nfs/dbraw/zinc/37/06/63/552370663.db2.gz LIGIOBACAPOYAE-UHFFFAOYSA-N -1 3 546.681 6.981 50 0 KKAAHM Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccccc3)c2)c(C)c1 ZINC000003366452 552373607 /nfs/dbraw/zinc/37/36/07/552373607.db2.gz OHSUBPDFIQGLQO-UHFFFAOYSA-N -1 3 529.058 5.319 50 0 KKAAHM Cc1sc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)nc1-c1ccc(Br)cc1 ZINC000003437855 552386834 /nfs/dbraw/zinc/38/68/34/552386834.db2.gz ZKMRRBQJUKOXHI-UHFFFAOYSA-N -1 3 542.908 5.864 50 0 KKAAHM CCCc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c3)sc2C)cc1 ZINC000003437847 552386901 /nfs/dbraw/zinc/38/69/01/552386901.db2.gz HRRWLUNKDJFRSX-UHFFFAOYSA-N -1 3 506.093 6.054 50 0 KKAAHM CCOC(=O)c1c(C)nc(-c2sc3nc(-c4ccccc4)nc([N-]c4nc(C)cc(C)n4)c3c2C)nc1N ZINC000003625354 552395366 /nfs/dbraw/zinc/39/53/66/552395366.db2.gz HBKPILJYUXWAJT-UHFFFAOYSA-N -1 3 526.626 5.341 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656021 552404279 /nfs/dbraw/zinc/40/42/79/552404279.db2.gz HEYUXBBDDWDKEB-QFIPXVFZSA-N -1 3 506.352 5.324 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656080 552404502 /nfs/dbraw/zinc/40/45/02/552404502.db2.gz IEGSAERCPVMECH-JOCHJYFZSA-N -1 3 540.797 5.977 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656069 552404512 /nfs/dbraw/zinc/40/45/12/552404512.db2.gz BQFCTOWOSOXGKO-QFIPXVFZSA-N -1 3 506.352 5.324 50 0 KKAAHM COc1ccc(CN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)cc1 ZINC000003656076 552404532 /nfs/dbraw/zinc/40/45/32/552404532.db2.gz NZORNFLFXOOOSZ-HSZRJFAPSA-N -1 3 536.378 5.332 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656226 552405269 /nfs/dbraw/zinc/40/52/69/552405269.db2.gz CBQAJGNRLXHXEU-OAQYLSRUSA-N -1 3 571.221 5.778 50 0 KKAAHM O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000006147611 552548836 /nfs/dbraw/zinc/54/88/36/552548836.db2.gz YQFWDGPZKIODCE-UHFFFAOYSA-N -1 3 513.000 5.040 50 0 KKAAHM Cn1nc(Cl)c(Cl)c1Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(F)(F)F)cn3)c(Cl)c2)cc1 ZINC000006198912 552570449 /nfs/dbraw/zinc/57/04/49/552570449.db2.gz LQLCPROTSNWIDL-UHFFFAOYSA-N -1 3 593.798 7.180 50 0 KKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000008430250 553021257 /nfs/dbraw/zinc/02/12/57/553021257.db2.gz ZXLZMYGWYNSMDP-UHFFFAOYSA-N -1 3 610.562 7.124 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008431252 553022656 /nfs/dbraw/zinc/02/26/56/553022656.db2.gz PRDBBPACQCJRRG-MRXNPFEDSA-N -1 3 679.559 7.828 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008433194 553028237 /nfs/dbraw/zinc/02/82/37/553028237.db2.gz IXCDORJIRFWWHW-FXSPECFOSA-N -1 3 548.945 5.374 50 0 KKAAHM CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cc3ccc(NC(=O)c4cccc(NC(=O)C(C)(C)C)c4)c(O)c3)cc2[O-])c1 ZINC000008442907 553044823 /nfs/dbraw/zinc/04/48/23/553044823.db2.gz BPSIJJRBSKEQJE-UHFFFAOYSA-N -1 3 636.749 7.162 50 0 KKAAHM COc1ccc(OCc2cccc(Br)c2)c([C@@H]2Nc3ccc(Br)cc3C(=O)N2[N-]C(=O)c2ccccc2OCc2ccccc2)c1 ZINC000008443562 553047072 /nfs/dbraw/zinc/04/70/72/553047072.db2.gz TZJQZMASMJIUHO-UUWRZZSWSA-N -1 3 743.452 8.290 50 0 KKAAHM Cc1cc(Br)ccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008594098 553087468 /nfs/dbraw/zinc/08/74/68/553087468.db2.gz IJJOLBIGOCYAHM-KRWDZBQOSA-N -1 3 558.317 5.110 50 0 KKAAHM COc1ccccc1C1CCN(C(=O)CSc2nnc([N-]C(=O)c3cccnc3Oc3ccccc3)s2)CC1 ZINC000008647802 553106488 /nfs/dbraw/zinc/10/64/88/553106488.db2.gz WMSIDFNSPCUWMB-UHFFFAOYSA-N -1 3 561.689 5.485 50 0 KKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771891 553141289 /nfs/dbraw/zinc/14/12/89/553141289.db2.gz CVLHDHRPCBRYFP-XMMPIXPASA-N -1 3 508.803 6.641 50 0 KKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2Cl)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000008771891 553141291 /nfs/dbraw/zinc/14/12/91/553141291.db2.gz CVLHDHRPCBRYFP-XMMPIXPASA-N -1 3 508.803 6.641 50 0 KKAAHM COc1cc(CN2C(=O)N(C3CCCCC3)[C@@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)cc(OC)c1 ZINC000008926386 553191244 /nfs/dbraw/zinc/19/12/44/553191244.db2.gz KPKJZLCRNAQCPV-DEOSSOPVSA-N -1 3 502.656 5.112 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]c1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000008927254 553191762 /nfs/dbraw/zinc/19/17/62/553191762.db2.gz SHEWHYYVPMNWDW-UHFFFAOYSA-N -1 3 501.656 5.729 50 0 KKAAHM O=C(c1ccccc1F)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009015657 553200311 /nfs/dbraw/zinc/20/03/11/553200311.db2.gz HHHGQMKDPJLJQV-YSGXDJDMSA-N -1 3 515.544 5.077 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009124009 553212838 /nfs/dbraw/zinc/21/28/38/553212838.db2.gz NZJGIFZDMWJRAD-MHZLTWQESA-N -1 3 519.985 5.255 50 0 KKAAHM CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc1OCC ZINC000009124312 553212906 /nfs/dbraw/zinc/21/29/06/553212906.db2.gz AUKPYIPQMLGBNA-HHHXNRCGSA-N -1 3 519.001 5.682 50 0 KKAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000009235205 553225173 /nfs/dbraw/zinc/22/51/73/553225173.db2.gz WMUVLJOTDKUJSS-UHFFFAOYSA-N -1 3 508.628 6.562 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000009243053 553226893 /nfs/dbraw/zinc/22/68/93/553226893.db2.gz ROGWDQCDKHTYFP-NDEPHWFRSA-N -1 3 518.013 5.858 50 0 KKAAHM COc1ccc([C@@H]2c3c4nc(-c5ccccc5[O-])nn4cnc3Oc3ccc4ccccc4c32)cc1OC ZINC000009281257 553233251 /nfs/dbraw/zinc/23/32/51/553233251.db2.gz KIPBWLBJJVAFRB-VWLOTQADSA-N -1 3 502.530 5.953 50 0 KKAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009495590 553274569 /nfs/dbraw/zinc/27/45/69/553274569.db2.gz BISPPQAPRHIPPU-UHFFFAOYSA-N -1 3 510.200 5.153 50 0 KKAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009495590 553274571 /nfs/dbraw/zinc/27/45/71/553274571.db2.gz BISPPQAPRHIPPU-UHFFFAOYSA-N -1 3 510.200 5.153 50 0 KKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679182 553295989 /nfs/dbraw/zinc/29/59/89/553295989.db2.gz VZVXMKJGEDDMGM-RUZDIDTESA-N -1 3 504.384 5.915 50 0 KKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679182 553295991 /nfs/dbraw/zinc/29/59/91/553295991.db2.gz VZVXMKJGEDDMGM-RUZDIDTESA-N -1 3 504.384 5.915 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679063 553296035 /nfs/dbraw/zinc/29/60/35/553296035.db2.gz AGQBRSUMWMIXLV-XMMPIXPASA-N -1 3 506.356 5.312 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000009679063 553296037 /nfs/dbraw/zinc/29/60/37/553296037.db2.gz AGQBRSUMWMIXLV-XMMPIXPASA-N -1 3 506.356 5.312 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679258 553296042 /nfs/dbraw/zinc/29/60/42/553296042.db2.gz RKFUHMJMSPXZRC-DEOSSOPVSA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679258 553296044 /nfs/dbraw/zinc/29/60/44/553296044.db2.gz RKFUHMJMSPXZRC-DEOSSOPVSA-N -1 3 502.368 5.766 50 0 KKAAHM CCOc1cc([C@@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)ccc1O ZINC000009679189 553296097 /nfs/dbraw/zinc/29/60/97/553296097.db2.gz MWFIXOPQCOCNBK-RUZDIDTESA-N -1 3 504.384 6.002 50 0 KKAAHM CCOc1cc([C@@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000009679189 553296099 /nfs/dbraw/zinc/29/60/99/553296099.db2.gz MWFIXOPQCOCNBK-RUZDIDTESA-N -1 3 504.384 6.002 50 0 KKAAHM CCOc1cc([C@H]2c3c(-c4ccc(OC)cc4)n[n-]c3C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000009679067 553296110 /nfs/dbraw/zinc/29/61/10/553296110.db2.gz WLRBRPGZPSWIET-VWLOTQADSA-N -1 3 520.383 5.702 50 0 KKAAHM CCOc1cc([C@H]2c3c(n[n-]c3-c3ccc(OC)cc3)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000009679067 553296111 /nfs/dbraw/zinc/29/61/11/553296111.db2.gz WLRBRPGZPSWIET-VWLOTQADSA-N -1 3 520.383 5.702 50 0 KKAAHM O=C([O-])c1ccc(CNCc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000010475231 553337300 /nfs/dbraw/zinc/33/73/00/553337300.db2.gz UAUYBIJRSJHMHR-UHFFFAOYSA-N -1 3 505.206 5.779 50 0 KKAAHM O=C(COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2)Nc1cc(Cl)ccc1Cl ZINC000012312141 553358073 /nfs/dbraw/zinc/35/80/73/553358073.db2.gz GZXLAVUMOPXPCQ-GHRIWEEISA-N -1 3 519.384 6.530 50 0 KKAAHM Cc1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012496395 553381869 /nfs/dbraw/zinc/38/18/69/553381869.db2.gz WSYCZAGNDPMICT-UHFFFAOYSA-N -1 3 509.411 6.709 50 0 KKAAHM COc1ccc2c(c1)nc(SCc1nc(=O)c3c(-c4ccccc4)csc3[n-]1)cc2-c1ccccc1 ZINC000012546771 553391999 /nfs/dbraw/zinc/39/19/99/553391999.db2.gz FZTZUCKMCXYKMS-UHFFFAOYSA-N -1 3 507.640 7.168 50 0 KKAAHM COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012632924 553405926 /nfs/dbraw/zinc/40/59/26/553405926.db2.gz WDAMWMULQINGBZ-MRXNPFEDSA-N -1 3 524.042 6.008 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000013786782 553490881 /nfs/dbraw/zinc/49/08/81/553490881.db2.gz BDMBIHLTYMNYJJ-NJDAHSKKSA-N -1 3 508.188 6.351 50 0 KKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(Cc2ccccc2)C4)cc(Br)c1[O-] ZINC000015945363 553544069 /nfs/dbraw/zinc/54/40/69/553544069.db2.gz XJBAWUXMGSABFJ-JOCHJYFZSA-N -1 3 514.445 5.602 50 0 KKAAHM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000015980861 553548643 /nfs/dbraw/zinc/54/86/43/553548643.db2.gz JCPPVKPBRAPUSG-QHCPKHFHSA-N -1 3 519.627 5.899 50 0 KKAAHM Cc1cc(Nc2ccccc2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013820 553586519 /nfs/dbraw/zinc/58/65/19/553586519.db2.gz HHHPQHRYEAHLIM-UHFFFAOYSA-N -1 3 507.619 6.740 50 0 KKAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(Oc4ccccc4)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017014925 553586565 /nfs/dbraw/zinc/58/65/65/553586565.db2.gz SAFWFWNEQATUHR-LJAQVGFWSA-N -1 3 522.992 6.677 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)cc1 ZINC000020149813 553594724 /nfs/dbraw/zinc/59/47/24/553594724.db2.gz VUMNXSGZOHFUCF-UHFFFAOYSA-N -1 3 527.646 5.307 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000070672871 553602699 /nfs/dbraw/zinc/60/26/99/553602699.db2.gz HRHXHMJILBVTSX-NAQGONTDSA-N -1 3 531.999 5.591 50 0 biogenic KKAAHM COc1cccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1[O-] ZINC000020191515 553605904 /nfs/dbraw/zinc/60/59/04/553605904.db2.gz YNUMSWANTDRTIJ-UHFFFAOYSA-N -1 3 502.618 5.923 50 0 KKAAHM CCOc1nc2cccc(C(=O)OCCOC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000019685760 553614929 /nfs/dbraw/zinc/61/49/29/553614929.db2.gz NQZDOSXQAGAIAB-UHFFFAOYSA-N -1 3 610.671 5.973 50 0 in-vitro KKAAHM CCOc1nc2cccc(C(=O)OCCOC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000019685760 553614933 /nfs/dbraw/zinc/61/49/33/553614933.db2.gz NQZDOSXQAGAIAB-UHFFFAOYSA-N -1 3 610.671 5.973 50 0 in-vitro KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](C1=Cc2ccccc2OC1)CC(=O)O3 ZINC000079188830 553666966 /nfs/dbraw/zinc/66/69/66/553666966.db2.gz ZOOHCFSWCITCMR-LEAZQYDDSA-N -1 3 502.563 5.743 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2ccccc2n(C)c1=O)CC(=O)O3 ZINC000079188965 553666998 /nfs/dbraw/zinc/66/69/98/553666998.db2.gz FTVNIFJUUJWBRF-WPGNKUQJSA-N -1 3 529.589 5.167 50 0 KKAAHM CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2cc3c(c([O-])c21)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3 ZINC000079188775 553667049 /nfs/dbraw/zinc/66/70/49/553667049.db2.gz YRWSFGPFHZGCMT-QKXXGYLRSA-N -1 3 506.595 6.102 50 0 KKAAHM COc1cc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)cc(OC)c1OC(C)=O ZINC000079190825 553668010 /nfs/dbraw/zinc/66/80/10/553668010.db2.gz ATXCKYMOZFOLIG-NUYWPHHJSA-N -1 3 566.603 5.258 50 0 KKAAHM COc1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c(OC)c1 ZINC000079193415 553668708 /nfs/dbraw/zinc/66/87/08/553668708.db2.gz ADXBEZCILHEZKK-HFQCPDOSSA-N -1 3 508.567 5.332 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000095346127 553701166 /nfs/dbraw/zinc/70/11/66/553701166.db2.gz QVOCJQGIFZXWSY-OCBJUFRSSA-N -1 3 522.601 6.078 50 0 KKAAHM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852764 553761536 /nfs/dbraw/zinc/76/15/36/553761536.db2.gz GIGNOQGLTXEEIJ-AREMUKBSSA-N -1 3 530.097 5.955 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OCC)cc4)cc3)cc2)cc1 ZINC000097940313 553764551 /nfs/dbraw/zinc/76/45/51/553764551.db2.gz KAIXBKXXRMIFIS-UHFFFAOYSA-N -1 3 666.778 5.443 50 0 KKAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)cc1 ZINC000097940361 553764954 /nfs/dbraw/zinc/76/49/54/553764954.db2.gz AOELGUUMUGNRAV-UHFFFAOYSA-N -1 3 584.286 5.429 50 0 KKAAHM CC(=O)[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025585127 553812026 /nfs/dbraw/zinc/81/20/26/553812026.db2.gz NIGWSUXVINZRPB-BVRKHOPBSA-N -1 3 517.625 6.538 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000097953099 553819124 /nfs/dbraw/zinc/81/91/24/553819124.db2.gz BVKLXVDDFCVWMA-XPWALMASSA-N -1 3 524.791 6.246 50 0 KKAAHM Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000029492183 553845802 /nfs/dbraw/zinc/84/58/02/553845802.db2.gz OXTBRCJMYQZUFV-UHFFFAOYSA-N -1 3 700.626 5.669 50 0 KKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)c1 ZINC000032974781 553883656 /nfs/dbraw/zinc/88/36/56/553883656.db2.gz ZFERVNIWOOWSJO-UHFFFAOYSA-N -1 3 520.014 5.719 50 0 KKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1 ZINC000032974745 553883762 /nfs/dbraw/zinc/88/37/62/553883762.db2.gz KJPMHOMGELRUFX-UHFFFAOYSA-N -1 3 503.559 5.151 50 0 KKAAHM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C(C)(C)C)cc5)cc4)cn3)n2)c1 ZINC000032974772 553883829 /nfs/dbraw/zinc/88/38/29/553883829.db2.gz OTVDJYGJXJCJFP-UHFFFAOYSA-N -1 3 527.650 6.055 50 0 KKAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)c1 ZINC000032974790 553883960 /nfs/dbraw/zinc/88/39/60/553883960.db2.gz YCYFFGXEBLEMEM-UHFFFAOYSA-N -1 3 503.559 5.205 50 0 KKAAHM CCOc1cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cc(OCC)c1OCC ZINC000097963828 553894580 /nfs/dbraw/zinc/89/45/80/553894580.db2.gz ACKXBBCNDQMZOZ-UHFFFAOYSA-N -1 3 566.636 5.010 50 0 KKAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2)c1 ZINC000097982466 554002514 /nfs/dbraw/zinc/00/25/14/554002514.db2.gz JTQCANYOPDOTQT-UHFFFAOYSA-N -1 3 554.491 5.838 50 0 KKAAHM O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000034795867 554008902 /nfs/dbraw/zinc/00/89/02/554008902.db2.gz LKLZRYIWPSGWBV-SAYRZEODSA-N -1 3 518.400 5.008 50 0 biogenic KKAAHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000034921842 554031949 /nfs/dbraw/zinc/03/19/49/554031949.db2.gz AHPKSJOXZSDFPR-UHFFFAOYSA-N -1 3 513.616 5.190 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(OC)c(OC)c2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000097999663 554044971 /nfs/dbraw/zinc/04/49/71/554044971.db2.gz PAFZQTBMMFUQNN-RHSMWYFYSA-N -1 3 645.056 6.190 50 0 KKAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccccc1OC)(C(=O)OC)C(F)(F)F ZINC000098003618 554055335 /nfs/dbraw/zinc/05/53/35/554055335.db2.gz GGFWHWYOCLYXMT-VWLOTQADSA-N -1 3 550.555 5.182 50 0 KKAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3sc(C)c(C)c3-c3nc(-c4ccc(C)cc4)no3)no2)cc1 ZINC000035671584 554062631 /nfs/dbraw/zinc/06/26/31/554062631.db2.gz MFAQYSUYFRJHKQ-UHFFFAOYSA-N -1 3 500.580 6.696 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843200 554081685 /nfs/dbraw/zinc/08/16/85/554081685.db2.gz JNONEFZBHJQXSE-NGAUBYBASA-N -1 3 519.000 6.055 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(C(=O)c3ccc(F)cc3)[C@H](C)c3ccccc3)c2)cc1 ZINC000098020169 554117188 /nfs/dbraw/zinc/11/71/88/554117188.db2.gz HPWGWWDYSHSEFP-JOCHJYFZSA-N -1 3 561.679 6.105 50 0 KKAAHM CCN1CCN(C(=O)c2cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000098020201 554117507 /nfs/dbraw/zinc/11/75/07/554117507.db2.gz SCNIDSWGNWSZBF-UHFFFAOYSA-N -1 3 551.112 5.230 50 0 KKAAHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000098044816 554130083 /nfs/dbraw/zinc/13/00/83/554130083.db2.gz BQKWKEZMNPSCCP-UHFFFAOYSA-N -1 3 623.753 5.264 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065336 554199474 /nfs/dbraw/zinc/19/94/74/554199474.db2.gz ONYKOVWHVPMPEP-IXCJQBJRSA-N -1 3 565.501 5.494 50 0 KKAAHM Cc1ccc(-c2csc3[n-]c(CN(Cc4ccco4)C[C@@H](O)COCc4ccccc4)nc(=O)c23)cc1C ZINC000036205237 554201194 /nfs/dbraw/zinc/20/11/94/554201194.db2.gz HKGPJQAEXNJCHU-XMMPIXPASA-N -1 3 529.662 5.441 50 0 KKAAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2cccc(Br)c2)cc1 ZINC000100208448 554248688 /nfs/dbraw/zinc/24/86/88/554248688.db2.gz UBUGFDQTDHKARO-VSKRKVRLSA-N -1 3 531.328 5.827 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000100353322 554332185 /nfs/dbraw/zinc/33/21/85/554332185.db2.gz WIQSMXFYXZQCII-CAOOACKPSA-N -1 3 525.808 5.190 50 0 KKAAHM COc1ccc([C@@H]2CN[C@@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390744 554348750 /nfs/dbraw/zinc/34/87/50/554348750.db2.gz IALDDJYIZAGUBA-IUDBTDONSA-N -1 3 537.685 6.284 50 0 KKAAHM COc1ccc([C@H]2CN[C@@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390750 554348742 /nfs/dbraw/zinc/34/87/42/554348742.db2.gz IALDDJYIZAGUBA-NSJVFKKDSA-N -1 3 537.685 6.284 50 0 KKAAHM COc1ccc([C@H]2c3c(-c4ccc(Br)cc4)n[n-]c3C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000059102782 554378449 /nfs/dbraw/zinc/37/84/49/554378449.db2.gz VIDHHCCCHMKVIM-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000059102782 554378452 /nfs/dbraw/zinc/37/84/52/554378452.db2.gz VIDHHCCCHMKVIM-DEOSSOPVSA-N -1 3 524.802 6.260 50 0 KKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Br)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103027 554378986 /nfs/dbraw/zinc/37/89/86/554378986.db2.gz SZJSKDWAVGVNHA-HSZRJFAPSA-N -1 3 539.227 6.360 50 0 KKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Br)cc2)N(c2ccc(Br)cc2)C3=O)cc1 ZINC000059103027 554378987 /nfs/dbraw/zinc/37/89/87/554378987.db2.gz SZJSKDWAVGVNHA-HSZRJFAPSA-N -1 3 539.227 6.360 50 0 KKAAHM CCOC(=O)c1[n-]c(-c2ccc(-c3[n-]c(C(=O)OCC)c(C)c3C(=O)OCC)s2)c(C(=O)OCC)c1C ZINC000100661288 554438850 /nfs/dbraw/zinc/43/88/50/554438850.db2.gz DSWPCPUIJMMKAM-UHFFFAOYSA-N -1 3 530.599 5.062 50 0 KKAAHM CCOC(=O)c1[n-]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(C)c3C(=O)OCC)s2)c(C(=O)OCC)c1C ZINC000100661288 554438852 /nfs/dbraw/zinc/43/88/52/554438852.db2.gz DSWPCPUIJMMKAM-UHFFFAOYSA-N -1 3 530.599 5.062 50 0 KKAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2N=C(c4cccs4)C[C@@H]2c2ccc(F)cc2)[n-]c3=O)cc1 ZINC000100821359 554480699 /nfs/dbraw/zinc/48/06/99/554480699.db2.gz VYSKISXUSXIIQM-JOCHJYFZSA-N -1 3 544.637 5.088 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000100981134 554547784 /nfs/dbraw/zinc/54/77/84/554547784.db2.gz YLTLRSQODVDKEL-UHFFFAOYSA-N -1 3 591.542 5.713 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101200817 554672733 /nfs/dbraw/zinc/67/27/33/554672733.db2.gz TWXMRUSISZIMHZ-VSKRKVRLSA-N -1 3 513.775 5.162 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101359301 554741495 /nfs/dbraw/zinc/74/14/95/554741495.db2.gz CKXIUWLCPFUSTG-OVDFTCDZSA-N -1 3 536.678 6.364 50 0 KKAAHM Cc1ccc(-c2noc(-c3c4c(sc3[N-]C(=O)c3cc(-c5ccc(Br)cc5)on3)CCCC4)n2)cc1 ZINC000101360380 554742256 /nfs/dbraw/zinc/74/22/56/554742256.db2.gz YAIDHUGZWSZRBN-UHFFFAOYSA-N -1 3 561.461 7.322 50 0 KKAAHM CCOc1ccccc1NC(=O)[C@H](CC)Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br ZINC000101649587 554816544 /nfs/dbraw/zinc/81/65/44/554816544.db2.gz ADJOSHPTEOKFMH-NRFANRHFSA-N -1 3 617.547 5.278 50 0 KKAAHM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)CC)C4)cc(I)c1[O-] ZINC000102089196 554877247 /nfs/dbraw/zinc/87/72/47/554877247.db2.gz LQHSZEPHOATKTF-XCLFUZPHSA-N -1 3 540.467 6.427 50 0 KKAAHM Cc1ccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000102133277 554887541 /nfs/dbraw/zinc/88/75/41/554887541.db2.gz FOCSIGBSKLOZQF-UHFFFAOYSA-N -1 3 546.565 6.412 50 0 KKAAHM O=C(c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000102145219 554889295 /nfs/dbraw/zinc/88/92/95/554889295.db2.gz QJFHPZRJLRVRII-UHFFFAOYSA-N -1 3 541.954 5.261 50 0 KKAAHM Cc1ccc(NC(=O)c2ccccc2I)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102188231 554894141 /nfs/dbraw/zinc/89/41/41/554894141.db2.gz SEIIPFSNSJXPCU-UHFFFAOYSA-N -1 3 526.783 5.306 50 0 KKAAHM COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccc6ccccc6c5[O-])nc4c32)cc1OC ZINC000102545747 554959036 /nfs/dbraw/zinc/95/90/36/554959036.db2.gz VIHZPJINYDALFS-NDEPHWFRSA-N -1 3 552.590 7.106 50 0 KKAAHM CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102710556 555016472 /nfs/dbraw/zinc/01/64/72/555016472.db2.gz NWLXEDGWYHCHDE-OZNIXHKMSA-N -1 3 516.594 5.411 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102744919 555036469 /nfs/dbraw/zinc/03/64/69/555036469.db2.gz AEFDWUVQUGACEF-MPFGFTFXSA-N -1 3 534.568 5.274 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21 ZINC000102745178 555036932 /nfs/dbraw/zinc/03/69/32/555036932.db2.gz FULGUTCIYVSNFL-QHAWAJNXSA-N -1 3 579.665 5.669 50 0 KKAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000102747758 555041346 /nfs/dbraw/zinc/04/13/46/555041346.db2.gz VTVNOTGYZLGYBT-IDZRBWSNSA-N -1 3 504.586 5.934 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102750378 555044058 /nfs/dbraw/zinc/04/40/58/555044058.db2.gz IPYLSQHNZKETOM-FRXPANAUSA-N -1 3 548.595 5.746 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102751226 555044516 /nfs/dbraw/zinc/04/45/16/555044516.db2.gz UPDAUNONDMLKSA-CCDWMCETSA-N -1 3 523.347 6.444 50 0 KKAAHM 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555390555 /nfs/dbraw/zinc/39/05/55/555390555.db2.gz XALADJJMVCRIKB-QFIPXVFZSA-N -1 3 563.745 5.956 50 0 KKAAHM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103530867 555431186 /nfs/dbraw/zinc/43/11/86/555431186.db2.gz AZKFRKYWHBXYFA-ZGQJUUMOSA-N -1 3 545.466 6.582 50 0 KKAAHM COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000104784344 571386022 /nfs/dbraw/zinc/38/60/22/571386022.db2.gz ILVCQAXIJWUZNV-BHIFYINESA-N -1 3 575.246 5.024 50 0 KKAAHM COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4[O-])c3n2)cc(OC)c1OC ZINC000105505779 571406698 /nfs/dbraw/zinc/40/66/98/571406698.db2.gz MTPWFIPFNXDXCH-UHFFFAOYSA-N -1 3 522.867 5.052 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000105795881 571408692 /nfs/dbraw/zinc/40/86/92/571408692.db2.gz YPNBMVQWNKQRHU-OJDZSJEKSA-N -1 3 596.611 5.893 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000105795862 571408745 /nfs/dbraw/zinc/40/87/45/571408745.db2.gz RFPUSBURMCLQQW-IEMSDXTESA-N -1 3 590.701 6.320 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000106015063 571410375 /nfs/dbraw/zinc/41/03/75/571410375.db2.gz XFELALQDBMLPHO-DYIKCSJPSA-N -1 3 584.650 5.294 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000106015209 571410378 /nfs/dbraw/zinc/41/03/78/571410378.db2.gz JUWJHVJHPZTPOU-JCYYIGJDSA-N -1 3 563.437 7.093 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000106018534 571410477 /nfs/dbraw/zinc/41/04/77/571410477.db2.gz BTHXBGCMBIWQBY-HZFUHODCSA-N -1 3 563.437 7.093 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000106018571 571410599 /nfs/dbraw/zinc/41/05/99/571410599.db2.gz JLVJUJUWUPBZTE-OZNIXHKMSA-N -1 3 573.443 6.549 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000106019727 571410712 /nfs/dbraw/zinc/41/07/12/571410712.db2.gz ONBXBWJKOBDODI-BHIFYINESA-N -1 3 552.439 5.565 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106019534 571410769 /nfs/dbraw/zinc/41/07/69/571410769.db2.gz DMRFTMFYUPUYNI-JCYYIGJDSA-N -1 3 554.986 5.619 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000106020958 571410928 /nfs/dbraw/zinc/41/09/28/571410928.db2.gz UXFKNZYGKMLBPR-YKILCQELSA-N -1 3 564.638 6.114 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000137883755 571450580 /nfs/dbraw/zinc/45/05/80/571450580.db2.gz XBGLYYZHIOZHGA-KMDXXIMOSA-N -1 3 512.484 5.425 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 ZINC000137829679 571450712 /nfs/dbraw/zinc/45/07/12/571450712.db2.gz UDLZVMLPKSEDRB-UNCTUWKVSA-N -1 3 512.650 6.347 50 0 KKAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(F)(F)F ZINC000150385623 571469006 /nfs/dbraw/zinc/46/90/06/571469006.db2.gz DOWJATMROPPKME-NBKDPJCBSA-N -1 3 709.956 9.522 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(OC)c(OC)c4)cc3C(F)(F)F)c2Cl)c(C(=O)OCC)c1C ZINC000150412081 571484174 /nfs/dbraw/zinc/48/41/74/571484174.db2.gz CBFACRUCXOXCHP-UHFFFAOYSA-N -1 3 641.024 6.061 50 0 KKAAHM COc1ccc(-n2c(=O)c3c(nc2SCc2nc4c(c(=O)[n-]2)C2(CCCCC2)Cc2ccccc2-4)-c2ccccc2CC32CCCCC2)cc1 ZINC000150418624 571486671 /nfs/dbraw/zinc/48/66/71/571486671.db2.gz HNAOBDQMRGKJHT-UHFFFAOYSA-N -1 3 682.890 8.879 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)ccc2C)cc1 ZINC000150421943 571487873 /nfs/dbraw/zinc/48/78/73/571487873.db2.gz YIZMCCZBWJQBMT-UHFFFAOYSA-N -1 3 696.207 5.309 50 0 KKAAHM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000150422042 571488105 /nfs/dbraw/zinc/48/81/05/571488105.db2.gz PEUDUCNEMZNGFW-UHFFFAOYSA-N -1 3 696.034 6.337 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457388 571504872 /nfs/dbraw/zinc/50/48/72/571504872.db2.gz QBRYVBBYJJPODK-NHKHRBQYSA-N -1 3 664.350 6.850 50 0 KKAAHM COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(N4CCN(c5ccc(F)cc5)CC4)=Nc4ccccc4N32)cc(Br)c1[O-] ZINC000150468129 571508327 /nfs/dbraw/zinc/50/83/27/571508327.db2.gz BUDHYIOMWVTTLA-JGCGQSQUSA-N -1 3 692.593 7.302 50 0 KKAAHM COc1ccccc1NC(=O)c1nc2ccc(Cl)cc2nc1C=C([O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000198724601 571568836 /nfs/dbraw/zinc/56/88/36/571568836.db2.gz HILQXBYMRXHKPE-UHFFFAOYSA-N -1 3 578.239 6.255 50 0 KKAAHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261491810 572110506 /nfs/dbraw/zinc/11/05/06/572110506.db2.gz KVAGHMVJYGXZJJ-XMMPIXPASA-N -1 3 503.965 5.053 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226821073 572142462 /nfs/dbraw/zinc/14/24/62/572142462.db2.gz LKDPKYSTNRLRGA-ZGIBFIJWSA-N -1 3 508.574 5.688 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226821170 572142695 /nfs/dbraw/zinc/14/26/95/572142695.db2.gz YOUZGMQPDKYUSK-ZGIBFIJWSA-N -1 3 530.621 5.714 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226832006 572142813 /nfs/dbraw/zinc/14/28/13/572142813.db2.gz LMJKUQKVRQKBDU-ZONZVBGPSA-N -1 3 542.950 5.749 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226922284 572145224 /nfs/dbraw/zinc/14/52/24/572145224.db2.gz WTVFNLGSSLDTBR-CILKRHGOSA-N -1 3 514.556 5.682 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000226913365 572145486 /nfs/dbraw/zinc/14/54/86/572145486.db2.gz UUSRNNSJYSJHQE-DCMQHHMNSA-N -1 3 544.676 6.611 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931832 572145957 /nfs/dbraw/zinc/14/59/57/572145957.db2.gz FGYBWTFVCYLGRF-ZONZVBGPSA-N -1 3 524.960 5.610 50 0 KKAAHM O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226983113 572146648 /nfs/dbraw/zinc/14/66/48/572146648.db2.gz HYVPREUZPFQWON-PWRODBHTSA-N -1 3 582.863 5.366 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000227084380 572149680 /nfs/dbraw/zinc/14/96/80/572149680.db2.gz LRQBUERZYYWJBX-HZFUHODCSA-N -1 3 575.042 5.467 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227085575 572149750 /nfs/dbraw/zinc/14/97/50/572149750.db2.gz OQXIXKSPTORELV-ALBQUZEBSA-N -1 3 571.485 6.911 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227236656 572151689 /nfs/dbraw/zinc/15/16/89/572151689.db2.gz XDHCAZPPMAKEJD-ZXFZPVEDSA-N -1 3 574.608 5.699 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(OC(F)(F)F)cc1)C[C@@H](C(C)(C)C)CC2 ZINC000229891617 572165693 /nfs/dbraw/zinc/16/56/93/572165693.db2.gz KROIFPPGQFBDDD-TYKYNWMQSA-N -1 3 628.669 6.635 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000229933210 572171147 /nfs/dbraw/zinc/17/11/47/572171147.db2.gz JLVJUJUWUPBZTE-UPRLRBBYSA-N -1 3 573.443 6.549 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000229934387 572171155 /nfs/dbraw/zinc/17/11/55/572171155.db2.gz IZYUSRPEZVHJJA-ZGIBFIJWSA-N -1 3 555.417 7.458 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000229967985 572174423 /nfs/dbraw/zinc/17/44/23/572174423.db2.gz FDCZYOXXXBUMBF-PWRODBHTSA-N -1 3 531.417 5.509 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229967276 572174805 /nfs/dbraw/zinc/17/48/05/572174805.db2.gz UUSRNNSJYSJHQE-YUAOJYLXSA-N -1 3 544.676 6.611 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccc(OC)cc1OC)CCCC2 ZINC000229968719 572175489 /nfs/dbraw/zinc/17/54/89/572175489.db2.gz RFRBKAHNUSAJDB-ISJGIBHGSA-N -1 3 583.062 5.135 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(C)cc1 ZINC000238950691 572189967 /nfs/dbraw/zinc/18/99/67/572189967.db2.gz ZIJMFWKGPORGGN-YPAWHYETSA-N -1 3 510.999 5.164 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240457 572214151 /nfs/dbraw/zinc/21/41/51/572214151.db2.gz TZKKNIYAEZJSNX-BYBRNZAOSA-N -1 3 537.040 6.258 50 0 KKAAHM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240487 572214176 /nfs/dbraw/zinc/21/41/76/572214176.db2.gz WTVFNLGSSLDTBR-YGGCMVMVSA-N -1 3 514.556 5.682 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C([O-])c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245246076 572218598 /nfs/dbraw/zinc/21/85/98/572218598.db2.gz HEWPIHIHNPBOJG-CKXMCULTSA-N -1 3 585.512 7.301 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)cc1 ZINC000245246061 572218764 /nfs/dbraw/zinc/21/87/64/572218764.db2.gz GWKJFVPKSTWKQX-DYIKCSJPSA-N -1 3 582.584 5.503 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000245246805 572219921 /nfs/dbraw/zinc/21/99/21/572219921.db2.gz ONBXBWJKOBDODI-YPAWHYETSA-N -1 3 552.439 5.565 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(SC)cc1)C[C@H](C(C)(C)C)CC2 ZINC000245246852 572220275 /nfs/dbraw/zinc/22/02/75/572220275.db2.gz PTDBYXRJBFKEMT-CEWWTIOHSA-N -1 3 590.767 6.459 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245247515 572220904 /nfs/dbraw/zinc/22/09/04/572220904.db2.gz UJKPEIUPKIPDQJ-JFHPUIQFSA-N -1 3 562.622 6.136 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245309106 572227098 /nfs/dbraw/zinc/22/70/98/572227098.db2.gz BCEGFARFUFCHIC-AOFBEVEVSA-N -1 3 528.583 5.990 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245309070 572227105 /nfs/dbraw/zinc/22/71/05/572227105.db2.gz AMHLAVZLNYUKGP-NXNJFABFSA-N -1 3 537.830 6.209 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccccc1)C[C@@H](C(C)(C)C)CC2 ZINC000245310062 572228186 /nfs/dbraw/zinc/22/81/86/572228186.db2.gz GYFODTYWKZNASI-HCRCJJAXSA-N -1 3 544.673 5.737 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000245310666 572228642 /nfs/dbraw/zinc/22/86/42/572228642.db2.gz JNONEFZBHJQXSE-OGQOOFKISA-N -1 3 519.000 6.055 50 0 KKAAHM CCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 ZINC000245325656 572231904 /nfs/dbraw/zinc/23/19/04/572231904.db2.gz GWRWWWDNIQLMGE-ZONZVBGPSA-N -1 3 514.578 5.093 50 0 KKAAHM CCCCN(CCCC)c1nc(N=NCc2cccc(OC)c2O)nc([N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC000252599276 572267300 /nfs/dbraw/zinc/26/73/00/572267300.db2.gz DHZDXUCVQCWECK-UHFFFAOYSA-N -1 3 508.583 5.090 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(Oc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c3)cc2)cc1 ZINC000100305881 1069732725 /nfs/dbraw/zinc/73/27/25/1069732725.db2.gz XAQLYQWYEIAAGU-UHFFFAOYSA-N -1 3 600.718 7.490 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(c3ccccc3)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000100305890 1069841778 /nfs/dbraw/zinc/84/17/78/1069841778.db2.gz LWWXYZQTEJVMPW-UHFFFAOYSA-N -1 3 582.747 7.085 50 0 KKAAHM COc1ccc(NN=C(C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000254303962 1072846199 /nfs/dbraw/zinc/84/61/99/1072846199.db2.gz QLTSGUOLQWNTOI-UHFFFAOYSA-N -1 3 634.512 6.289 50 0 KKAAHM COc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc(Br)c1[O-] ZINC000254843170 1072884202 /nfs/dbraw/zinc/88/42/02/1072884202.db2.gz CRSTUIRRQYIKPS-UHFFFAOYSA-N -1 3 511.401 5.096 50 0 KKAAHM CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1 ZINC000254847221 1072885019 /nfs/dbraw/zinc/88/50/19/1072885019.db2.gz YARFHPCVJBJHCL-UHFFFAOYSA-N -1 3 581.525 6.585 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc2-3)c(C)c1 ZINC000000637608 551506395 /nfs/dbraw/zinc/50/63/95/551506395.db2.gz BNBQUKDQWJLXPD-UHFFFAOYSA-N -1 3 532.687 6.093 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3Br)cc2)c(C)c1 ZINC000000673990 551520726 /nfs/dbraw/zinc/52/07/26/551520726.db2.gz NNBPNRRPHUDSSZ-UHFFFAOYSA-N -1 3 503.418 5.193 50 0 KKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000689319 551526748 /nfs/dbraw/zinc/52/67/48/551526748.db2.gz CVANZFHIBPFHOG-UHFFFAOYSA-N -1 3 511.685 5.789 50 0 KKAAHM CSc1ccccc1[N-]C(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000000826543 551544791 /nfs/dbraw/zinc/54/47/91/551544791.db2.gz BUNIYEFFCKTGMC-UHFFFAOYSA-N -1 3 507.335 6.152 50 0 KKAAHM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000001191888 551621784 /nfs/dbraw/zinc/62/17/84/551621784.db2.gz RUMGGBUYMWREGE-UHFFFAOYSA-N -1 3 507.439 6.353 50 0 KKAAHM O=C1Nc2ccc(Cl)cc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000001278326 551636045 /nfs/dbraw/zinc/63/60/45/551636045.db2.gz DRKWHMYCGUOUMF-ZGZOUGAKSA-N -1 3 552.845 5.661 50 0 KKAAHM COC(=O)c1ccc(CSc2nnc(CSc3nc4sc(C)c(C)c4c(=O)[n-]3)n2-c2ccccc2)cc1 ZINC000001799240 551703258 /nfs/dbraw/zinc/70/32/58/551703258.db2.gz IXJVHVGTWUGOCY-UHFFFAOYSA-N -1 3 549.703 5.553 50 0 KKAAHM COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000001829259 551711001 /nfs/dbraw/zinc/71/10/01/551711001.db2.gz RJRFBFVADYFDLZ-UHFFFAOYSA-N -1 3 548.668 5.805 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000001876970 551722959 /nfs/dbraw/zinc/72/29/59/551722959.db2.gz RIRPJLUDXBFOLP-WCQYABFASA-N -1 3 574.965 5.765 50 0 KKAAHM CCOC(=O)[C@]([N-]c1ccc(C(F)(F)F)cc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050621 551738605 /nfs/dbraw/zinc/73/86/05/551738605.db2.gz HZSBNZUMSAIQCA-KRWDZBQOSA-N -1 3 503.226 5.676 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)sc2c1CCC2 ZINC000002063032 551743780 /nfs/dbraw/zinc/74/37/80/551743780.db2.gz UACJRVOOVKCNNW-UHFFFAOYSA-N -1 3 534.947 6.048 50 0 KKAAHM COC(=O)c1c([N-]C(=O)c2nn3c(nc(-c4cccs4)cc3C(F)(F)F)c2Cl)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002082134 551752236 /nfs/dbraw/zinc/75/22/36/551752236.db2.gz YXRQTWDOXXRIPW-LBPRGKRZSA-N -1 3 597.084 7.381 50 0 KKAAHM COC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000002088731 551758063 /nfs/dbraw/zinc/75/80/63/551758063.db2.gz JSGAYHDPBYBESH-UHFFFAOYSA-N -1 3 505.354 6.863 50 0 KKAAHM COc1ccc2[nH]c3c(c2c1)C[C@H](C(=O)[O-])N[C@H]3c1ccc(OC)c(CSc2nc3ccccc3s2)c1 ZINC000002118999 551769786 /nfs/dbraw/zinc/76/97/86/551769786.db2.gz RHRZCIDHHVPAFM-RDGATRHJSA-N -1 3 531.659 5.775 50 0 biogenic KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c(C)c1 ZINC000002134576 551773305 /nfs/dbraw/zinc/77/33/05/551773305.db2.gz XQXZYFAATQRKGK-UHFFFAOYSA-N -1 3 521.466 6.517 50 0 KKAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2s1 ZINC000002139669 551774628 /nfs/dbraw/zinc/77/46/28/551774628.db2.gz WGOJINLFMMHVFP-QPPBQGQZSA-N -1 3 501.633 5.767 50 0 biogenic KKAAHM CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 ZINC000002150199 551777951 /nfs/dbraw/zinc/77/79/51/551777951.db2.gz IYCWYBIOJMZXBT-MUUNZHRXSA-N -1 3 519.619 5.378 50 0 biogenic KKAAHM COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)[C@H]([N-]S(=O)(=O)c4ccc(C)cc4)c4ccccc4)ccc23)cc1 ZINC000002150374 551777957 /nfs/dbraw/zinc/77/79/57/551777957.db2.gz ABIOTOUATCNNIM-SSEXGKCCSA-N -1 3 569.635 5.711 50 0 biogenic KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000002233575 552082408 /nfs/dbraw/zinc/08/24/08/552082408.db2.gz KQNQGMTYKQPGDF-XPWALMASSA-N -1 3 534.797 5.702 50 0 KKAAHM O=c1[n-]c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002305406 552090389 /nfs/dbraw/zinc/09/03/89/552090389.db2.gz BCLOWRQAHLOALW-UHFFFAOYSA-N -1 3 546.696 6.245 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000002400110 552111211 /nfs/dbraw/zinc/11/12/11/552111211.db2.gz JSGQRPYSFKALDC-YPKYBTACSA-N -1 3 536.628 6.469 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002401515 552111492 /nfs/dbraw/zinc/11/14/92/552111492.db2.gz JPHYZFCYTPLGCN-VJGNERBWSA-N -1 3 524.960 5.610 50 0 KKAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1ccccc1Br ZINC000002747233 552174249 /nfs/dbraw/zinc/17/42/49/552174249.db2.gz ORANYNRACXVFAZ-NRFANRHFSA-N -1 3 592.231 5.364 50 0 KKAAHM COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000002861846 552204345 /nfs/dbraw/zinc/20/43/45/552204345.db2.gz ZSQXOEKSZSVJHI-QHCPKHFHSA-N -1 3 520.379 5.632 50 0 KKAAHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2Br)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911020 552214406 /nfs/dbraw/zinc/21/44/06/552214406.db2.gz FDNNMDJWKVDCTK-UHFFFAOYSA-N -1 3 508.319 5.247 50 0 KKAAHM O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C([O-])=C21 ZINC000002959940 552233416 /nfs/dbraw/zinc/23/34/16/552233416.db2.gz FULGUTCIYVSNFL-HKBOAZHASA-N -1 3 579.665 5.669 50 0 KKAAHM O=C(COc1ccc(Cl)cc1Cl)[N-]n1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000002971559 552244586 /nfs/dbraw/zinc/24/45/86/552244586.db2.gz IMHULMUIWSXWFT-UHFFFAOYSA-N -1 3 504.370 5.284 50 0 KKAAHM O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003022561 552264297 /nfs/dbraw/zinc/26/42/97/552264297.db2.gz FXWCELYITNWXTN-UHFFFAOYSA-N -1 3 532.218 5.626 50 0 KKAAHM O=C([N-]c1cccc(Cl)c1Cl)c1c(F)c(F)c(C(=O)Nc2cccc(Cl)c2Cl)c(F)c1F ZINC000003147085 552297478 /nfs/dbraw/zinc/29/74/78/552297478.db2.gz GWSSRVGROAWFGM-UHFFFAOYSA-N -1 3 526.100 7.361 50 0 KKAAHM O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003213603 552306006 /nfs/dbraw/zinc/30/60/06/552306006.db2.gz IVQJEDOQIYCKJM-UHFFFAOYSA-N -1 3 539.963 5.249 50 0 KKAAHM O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000003214381 552306284 /nfs/dbraw/zinc/30/62/84/552306284.db2.gz ATLIIHDJMOIUEV-UHFFFAOYSA-N -1 3 540.856 5.537 50 0 KKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1[N-]C(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000003214333 552306289 /nfs/dbraw/zinc/30/62/89/552306289.db2.gz HXHOBPUCHPJEAS-UHFFFAOYSA-N -1 3 509.996 5.720 50 0 KKAAHM CC(C)N(C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1)c1ccccc1 ZINC000003280565 552335589 /nfs/dbraw/zinc/33/55/89/552335589.db2.gz VEADWPKUGAAUGF-UHFFFAOYSA-N -1 3 554.974 5.758 50 0 KKAAHM O=C(CSc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2o1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000003293206 552341466 /nfs/dbraw/zinc/34/14/66/552341466.db2.gz TYMPUKXPGDYGHW-UHFFFAOYSA-N -1 3 561.428 5.960 50 0 KKAAHM Cc1cc(NC(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[n-]2)ccc1Br ZINC000003306548 552349576 /nfs/dbraw/zinc/34/95/76/552349576.db2.gz SXKUXHZOCCPFBT-UHFFFAOYSA-N -1 3 555.401 5.867 50 0 KKAAHM Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2)c1Cl ZINC000003343810 552364045 /nfs/dbraw/zinc/36/40/45/552364045.db2.gz UYIDKTIYOYLOJJ-BUHFOSPRSA-N -1 3 519.406 5.510 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000003656078 552404527 /nfs/dbraw/zinc/40/45/27/552404527.db2.gz AEGJPIOQUKVSIS-JOCHJYFZSA-N -1 3 524.342 5.463 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(Br)c1[O-] ZINC000003656120 552404806 /nfs/dbraw/zinc/40/48/06/552404806.db2.gz WCEUZOZNRHYZMQ-OAQYLSRUSA-N -1 3 561.215 6.322 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656113 552404836 /nfs/dbraw/zinc/40/48/36/552404836.db2.gz QFHWQZVMLREVMA-NRFANRHFSA-N -1 3 526.770 5.669 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(Br)c1[O-] ZINC000003656116 552404859 /nfs/dbraw/zinc/40/48/59/552404859.db2.gz ZADXSPZIYPRIBK-JOCHJYFZSA-N -1 3 540.797 5.977 50 0 KKAAHM COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656114 552404867 /nfs/dbraw/zinc/40/48/67/552404867.db2.gz QFHWQZVMLREVMA-OAQYLSRUSA-N -1 3 526.770 5.669 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2)cc(Br)c1[O-] ZINC000003656225 552405279 /nfs/dbraw/zinc/40/52/79/552405279.db2.gz CBQAJGNRLXHXEU-NRFANRHFSA-N -1 3 571.221 5.778 50 0 KKAAHM CCOC(=O)[C@]([N-]c1ccc(OC(F)(F)Cl)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003672415 552412705 /nfs/dbraw/zinc/41/27/05/552412705.db2.gz QDMULFICQKLRQM-KRWDZBQOSA-N -1 3 501.235 5.172 50 0 KKAAHM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008384403 552989273 /nfs/dbraw/zinc/98/92/73/552989273.db2.gz WIWIUJODDCCCFE-UHFFFAOYSA-N -1 3 618.108 5.513 50 0 KKAAHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc2c(NC=C3C(=O)N(c4ccc(C)c(C)c4)N=C3C)cccc12 ZINC000008384784 552989819 /nfs/dbraw/zinc/98/98/19/552989819.db2.gz RNDSIJCWXQVCQW-CDSIFPFTSA-N -1 3 582.708 7.510 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000008399490 553001381 /nfs/dbraw/zinc/00/13/81/553001381.db2.gz LDYSHADPUVBQCG-UHFFFAOYSA-N -1 3 690.888 7.276 50 0 KKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCCC(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cc(C)cc4C)cc3)cc2)c(C)c1 ZINC000008399490 553001384 /nfs/dbraw/zinc/00/13/84/553001384.db2.gz LDYSHADPUVBQCG-UHFFFAOYSA-N -1 3 690.888 7.276 50 0 KKAAHM COc1cc([C@@H]2NC(=O)N(C)[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008433192 553028223 /nfs/dbraw/zinc/02/82/23/553028223.db2.gz IXCDORJIRFWWHW-UMFSSWHCSA-N -1 3 548.945 5.374 50 0 KKAAHM O=C1[N-][C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000008443439 553046553 /nfs/dbraw/zinc/04/65/53/553046553.db2.gz RVGHOSUYFNMUHH-OAQYLSRUSA-N -1 3 603.361 7.226 50 0 KKAAHM O=C([N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1cccc2cccnc21)c1ccccc1I ZINC000008443720 553047828 /nfs/dbraw/zinc/04/78/28/553047828.db2.gz ILOXHDVBWNXVCX-JOCHJYFZSA-N -1 3 646.226 5.356 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(c2Cl)N[C@@H](c2ccc(Br)cc2)C[C@@H]3C(F)(F)F)c(C(=O)OCC)c1C ZINC000008444142 553049357 /nfs/dbraw/zinc/04/93/57/553049357.db2.gz SZKHMKSSOHCFGQ-HUUCEWRRSA-N -1 3 663.900 6.935 50 0 KKAAHM CCOC(=O)c1sc([N-]C(=O)c2nn3c(nc(-c4ccc(OC)cc4)cc3C(F)(F)F)c2Br)c(C(=O)OCC)c1C ZINC000008444794 553051699 /nfs/dbraw/zinc/05/16/99/553051699.db2.gz IBYBVLCVOCMVGJ-UHFFFAOYSA-N -1 3 655.449 6.162 50 0 KKAAHM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000008692737 553118623 /nfs/dbraw/zinc/11/86/23/553118623.db2.gz XKXCLXWOZAVRCZ-UHFFFAOYSA-N -1 3 526.014 5.885 50 0 aggregator KKAAHM COc1ccc(C2=NN(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)[C@@]([O-])(C(F)(F)F)C2)c(OC)c1 ZINC000008753938 553135813 /nfs/dbraw/zinc/13/58/13/553135813.db2.gz MCHYKHFQQQKADY-FQEVSTJZSA-N -1 3 517.451 5.711 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008845396 553165460 /nfs/dbraw/zinc/16/54/60/553165460.db2.gz FSYIVWBPYJWLQX-LJAQVGFWSA-N -1 3 516.041 6.664 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845398 553165582 /nfs/dbraw/zinc/16/55/82/553165582.db2.gz LGLMKNVHTJNXLD-VWLOTQADSA-N -1 3 510.377 5.857 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@H]2c2cccc(Cl)c2)cc1 ZINC000008845391 553165612 /nfs/dbraw/zinc/16/56/12/553165612.db2.gz GSGQJNGTAQIKMD-AREMUKBSSA-N -1 3 508.405 6.194 50 0 KKAAHM CCCCC(=O)N[C@]([N-]c1sc(-c2ccccc2)c(C)c1C(=O)OCC)(C(=O)OCC)C(F)(F)F ZINC000008854912 553167093 /nfs/dbraw/zinc/16/70/93/553167093.db2.gz ZQRNYMFXXPASNK-QHCPKHFHSA-N -1 3 514.566 5.440 50 0 KKAAHM CC1(C)[C@H](N([O-])C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000008926222 553190973 /nfs/dbraw/zinc/19/09/73/553190973.db2.gz ZDSCZPMWZFOZLO-QFIPXVFZSA-N -1 3 510.601 6.114 50 0 KKAAHM COc1cc(CN2C(=O)N(C3CCCCC3)[C@H](N([O-])C(=O)NC3CCCCC3)C2(C)C)cc(OC)c1OC ZINC000008926382 553191254 /nfs/dbraw/zinc/19/12/54/553191254.db2.gz AKNLFZQPUGHDSC-RUZDIDTESA-N -1 3 532.682 5.121 50 0 KKAAHM COc1ccc(CCN2C(=O)c3[nH]nc(-c4cc(Cl)c(C)cc4[O-])c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009242951 553226582 /nfs/dbraw/zinc/22/65/82/553226582.db2.gz BYEMXBLDIVOZDU-MHZLTWQESA-N -1 3 503.986 5.549 50 0 KKAAHM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1csc2[N-]C(=O)c1c(F)cccc1Cl ZINC000009381586 553252814 /nfs/dbraw/zinc/25/28/14/553252814.db2.gz MUKCONOLQFHONZ-UHFFFAOYSA-N -1 3 506.342 5.322 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679257 553295968 /nfs/dbraw/zinc/29/59/68/553295968.db2.gz RKFUHMJMSPXZRC-XMMPIXPASA-N -1 3 502.368 5.766 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679257 553295970 /nfs/dbraw/zinc/29/59/70/553295970.db2.gz RKFUHMJMSPXZRC-XMMPIXPASA-N -1 3 502.368 5.766 50 0 KKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679184 553296028 /nfs/dbraw/zinc/29/60/28/553296028.db2.gz VZVXMKJGEDDMGM-VWLOTQADSA-N -1 3 504.384 5.915 50 0 KKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)c(OC)c1 ZINC000009679184 553296030 /nfs/dbraw/zinc/29/60/30/553296030.db2.gz VZVXMKJGEDDMGM-VWLOTQADSA-N -1 3 504.384 5.915 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679438 553296288 /nfs/dbraw/zinc/29/62/88/553296288.db2.gz VCAGZWLAFITYBJ-HHHXNRCGSA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009679438 553296290 /nfs/dbraw/zinc/29/62/90/553296290.db2.gz VCAGZWLAFITYBJ-HHHXNRCGSA-N -1 3 513.550 5.116 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679394 553296332 /nfs/dbraw/zinc/29/63/32/553296332.db2.gz QYNVEBKWLXRNIM-SANMLTNESA-N -1 3 501.970 6.055 50 0 KKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679394 553296333 /nfs/dbraw/zinc/29/63/33/553296333.db2.gz QYNVEBKWLXRNIM-SANMLTNESA-N -1 3 501.970 6.055 50 0 KKAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nnc(SCc2ccccc2C)n1-c1ccc(F)cc1 ZINC000011783036 553342416 /nfs/dbraw/zinc/34/24/16/553342416.db2.gz SLLLHTPHCMFNLH-UHFFFAOYSA-N -1 3 547.077 5.190 50 0 KKAAHM O=c1[nH]nc(SCc2cc(=O)[n-]c(C34CC5CC(CC(C5)C3)C4)n2)n1-c1ccccc1C(F)(F)F ZINC000012369753 553360159 /nfs/dbraw/zinc/36/01/59/553360159.db2.gz MCWHKTUVKJQBFP-UHFFFAOYSA-N -1 3 503.550 5.247 50 0 KKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(Nc3nc(-c4cccs4)nc4ccccc43)ccc2C)c(C)c1 ZINC000012642187 553408600 /nfs/dbraw/zinc/40/86/00/553408600.db2.gz PDHAWYRCHOJLTP-UHFFFAOYSA-N -1 3 500.649 6.828 50 0 KKAAHM Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC000013112514 553448407 /nfs/dbraw/zinc/44/84/07/553448407.db2.gz KKPKAVGDEWGQAV-UHFFFAOYSA-N -1 3 504.681 5.165 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CSc3cc(Cl)ccc3Cl)ccc2C)cc1 ZINC000013138308 553453770 /nfs/dbraw/zinc/45/37/70/553453770.db2.gz SKJWVKJZEMLZTH-UHFFFAOYSA-N -1 3 511.452 5.842 50 0 KKAAHM CCCCCN(CCCCC)S(=O)(=O)c1ccc(OCC)c(-c2nc3c(CCC)nn(C)c3c(=O)[n-]2)c1 ZINC000013763735 553488740 /nfs/dbraw/zinc/48/87/40/553488740.db2.gz RDTZYLHWSITLLR-UHFFFAOYSA-N -1 3 531.723 5.046 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013770296 553489425 /nfs/dbraw/zinc/48/94/25/553489425.db2.gz WKXZDSIZVUCERD-UBFVSLLYSA-N -1 3 505.357 6.305 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000013786784 553490863 /nfs/dbraw/zinc/49/08/63/553490863.db2.gz BDMBIHLTYMNYJJ-QHAWAJNXSA-N -1 3 508.188 6.351 50 0 KKAAHM Cc1ccc(-c2nc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000014359345 553513465 /nfs/dbraw/zinc/51/34/65/553513465.db2.gz IPCSIFFVPZSREE-UHFFFAOYSA-N -1 3 520.683 7.618 50 0 KKAAHM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(I)c([O-])c(OC)c2)N3)C1 ZINC000015945756 553544221 /nfs/dbraw/zinc/54/42/21/553544221.db2.gz BIRBGQHXKILTOM-BLVKFPJESA-N -1 3 526.440 6.037 50 0 KKAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016000203 553549684 /nfs/dbraw/zinc/54/96/84/553549684.db2.gz RXRRNGSZPYTQOJ-XVOBZGQLSA-N -1 3 503.385 5.556 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc(Br)c1[O-] ZINC000016399405 553562403 /nfs/dbraw/zinc/56/24/03/553562403.db2.gz UAVBUYRAMIRPPE-FQEVSTJZSA-N -1 3 512.743 5.673 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)n2)cc1 ZINC000017010208 553586013 /nfs/dbraw/zinc/58/60/13/553586013.db2.gz AYQKKPGVYQCQMG-UHFFFAOYSA-N -1 3 503.628 6.007 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4cc(OC)c(C)cc4C)cc3)n2)cc1 ZINC000017010326 553586189 /nfs/dbraw/zinc/58/61/89/553586189.db2.gz KFFKLIRAMZTQET-UHFFFAOYSA-N -1 3 519.627 5.707 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3)n2)cc1 ZINC000017013880 553586474 /nfs/dbraw/zinc/58/64/74/553586474.db2.gz DABRILQCHXCUPY-UHFFFAOYSA-N -1 3 511.607 6.235 50 0 KKAAHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000017576547 553597906 /nfs/dbraw/zinc/59/79/06/553597906.db2.gz ABZPZZXSHCGVQI-WIOPSUGQSA-N -1 3 529.584 5.263 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000017723784 553599291 /nfs/dbraw/zinc/59/92/91/553599291.db2.gz VOGICXLSCLNYCX-SMIHKQSGSA-N -1 3 507.384 5.126 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018101412 553604455 /nfs/dbraw/zinc/60/44/55/553604455.db2.gz ACMGXGJEOXNCQB-VJGNERBWSA-N -1 3 521.013 5.969 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018130410 553605730 /nfs/dbraw/zinc/60/57/30/553605730.db2.gz DKJWBJSUKOFCSM-PFBJBMPXSA-N -1 3 521.013 5.969 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@H](c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 ZINC000079190251 553667640 /nfs/dbraw/zinc/66/76/40/553667640.db2.gz STERZSQPCMBDAR-UEJNFMTRSA-N -1 3 555.627 5.576 50 0 KKAAHM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c([O-])c2C(=O)O1)[C@@H](c1cc2cccc4c2n(c1=O)CCC4)CC(=O)O3 ZINC000079190259 553667694 /nfs/dbraw/zinc/66/76/94/553667694.db2.gz STERZSQPCMBDAR-ROPFCJHFSA-N -1 3 555.627 5.576 50 0 KKAAHM COc1ccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c2ccccc12 ZINC000079191268 553668050 /nfs/dbraw/zinc/66/80/50/553668050.db2.gz ZHIXGGYXRAFOHY-VUOVJIJKSA-N -1 3 528.601 6.477 50 0 KKAAHM CC(C)COc1cccc([C@@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/4)c1 ZINC000079190841 553668061 /nfs/dbraw/zinc/66/80/61/553668061.db2.gz DKBSFNHIVVOEDX-RATRHFRHSA-N -1 3 520.622 6.350 50 0 KKAAHM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc4c(c([O-])c32)C(=O)O[C@H](C)CCCC(=O)CCC/C=C/4)cc1 ZINC000079195792 553669296 /nfs/dbraw/zinc/66/92/96/553669296.db2.gz PPTKLYXZYIJXTH-JPSNIWGYSA-N -1 3 506.551 5.102 50 0 KKAAHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NCc3cccs3)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)C1 ZINC000020663628 553686114 /nfs/dbraw/zinc/68/61/14/553686114.db2.gz KVQKPHXROYGMOF-IAGOWNOFSA-N -1 3 519.639 5.557 50 0 KKAAHM COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc5c(c([O-])c43)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/5)o2)cc1 ZINC000085877419 553689324 /nfs/dbraw/zinc/68/93/24/553689324.db2.gz QZUUVFAQWFIIJB-YGZXLYEBSA-N -1 3 572.610 6.362 50 0 KKAAHM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc1)CCCCC2 ZINC000097947912 553789749 /nfs/dbraw/zinc/78/97/49/553789749.db2.gz YSZBWAHJIMRQOJ-UHFFFAOYSA-N -1 3 545.708 5.422 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000097953122 553819490 /nfs/dbraw/zinc/81/94/90/553819490.db2.gz KQNQGMTYKQPGDF-DNVJHFABSA-N -1 3 534.797 5.702 50 0 KKAAHM [O-]c1c(-c2nc3c4c(ncn3n2)n(Cc2ccccc2)c(-c2ccccc2)c4-c2ccccc2)ccc2ccccc21 ZINC000097954377 553822880 /nfs/dbraw/zinc/82/28/80/553822880.db2.gz LOSHFQZOYVAMFS-UHFFFAOYSA-N -1 3 543.630 7.987 50 0 KKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)c(C)c1 ZINC000032974791 553883989 /nfs/dbraw/zinc/88/39/89/553883989.db2.gz BMFFPQUZEWQYAZ-UHFFFAOYSA-N -1 3 503.559 5.205 50 0 KKAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000033357307 553947778 /nfs/dbraw/zinc/94/77/78/553947778.db2.gz MJKMOPBTBACUTM-AREMUKBSSA-N -1 3 568.634 5.035 50 0 KKAAHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)N1N=C2C(=Cc3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000097978970 553975247 /nfs/dbraw/zinc/97/52/47/553975247.db2.gz NRWDAINRWXNGNS-XJUWNVBVSA-N -1 3 546.674 5.965 50 0 KKAAHM O=C(CSc1nc2sc3c(c2c(=O)[n-]1)CCCC3)N1N=C2C(=Cc3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000097978976 553975597 /nfs/dbraw/zinc/97/55/97/553975597.db2.gz ORQMVLRIYHHALU-CDNGWZGJSA-N -1 3 578.810 6.902 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1N1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000034739872 553998745 /nfs/dbraw/zinc/99/87/45/553998745.db2.gz MMYKHJCDCAAHAC-UHFFFAOYSA-N -1 3 500.020 5.290 50 0 KKAAHM O=C([N-]c1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C(F)(F)F)cc3)co2)s1)c1cccs1 ZINC000097990891 554029740 /nfs/dbraw/zinc/02/97/40/554029740.db2.gz FYMIXFHQTJVELH-UHFFFAOYSA-N -1 3 539.538 5.335 50 0 KKAAHM CC(C)Oc1ccc(C(=O)Oc2coc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc2=O)cc1 ZINC000097990872 554029760 /nfs/dbraw/zinc/02/97/60/554029760.db2.gz XXAXTCAIMKJPDQ-UHFFFAOYSA-N -1 3 529.621 5.104 50 0 KKAAHM O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(I)cc3)c(O)c2)cc1[O-])c1ccc(I)cc1 ZINC000097999850 554046500 /nfs/dbraw/zinc/04/65/00/554046500.db2.gz KCAAPDBIPSUJLK-UHFFFAOYSA-N -1 3 690.275 6.402 50 0 KKAAHM CC[C@H](C(=O)N(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)CC(C)C)c1ccccc1 ZINC000035944395 554102248 /nfs/dbraw/zinc/10/22/48/554102248.db2.gz LXLHNNPEVASMFU-NDEPHWFRSA-N -1 3 537.726 5.740 50 0 KKAAHM COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(Br)c1[O-] ZINC000098046744 554143167 /nfs/dbraw/zinc/14/31/67/554143167.db2.gz LNWVKEPGKRKNCP-NRFANRHFSA-N -1 3 544.760 5.808 50 0 KKAAHM CC(C)(C)OC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000036205440 554201459 /nfs/dbraw/zinc/20/14/59/554201459.db2.gz POIZVEQPSUHAAL-MRXNPFEDSA-N -1 3 502.036 5.076 50 0 KKAAHM Cc1ccccc1OC[C@H](O)CN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1)CC(C)C ZINC000036207761 554202472 /nfs/dbraw/zinc/20/24/72/554202472.db2.gz ZPILKFMJHRQWNH-OAQYLSRUSA-N -1 3 512.075 5.511 50 0 KKAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1CSc1cc(C)ccc1C(C)(C)C ZINC000045796252 554311464 /nfs/dbraw/zinc/31/14/64/554311464.db2.gz PCVYTOMEEDGIJY-LEAFIULHSA-N -1 3 514.691 6.763 50 0 KKAAHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1[O-] ZINC000100343763 554329368 /nfs/dbraw/zinc/32/93/68/554329368.db2.gz USJBDQYUZRVAIY-LZYBPNLTSA-N -1 3 550.201 5.939 50 0 KKAAHM COc1cc([C@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc(Br)c1[O-] ZINC000059626793 554415170 /nfs/dbraw/zinc/41/51/70/554415170.db2.gz BKITZIYPFPTEQF-QHCPKHFHSA-N -1 3 524.371 5.214 50 0 KKAAHM O=C(COc1ccc(Cl)cc1Cl)[N-][C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000100683487 554448398 /nfs/dbraw/zinc/44/83/98/554448398.db2.gz ZTJFARPOWBTOIT-HNNXBMFYSA-N -1 3 570.540 6.478 50 0 KKAAHM COc1ccc(Nc2cc(C)nc(Nc3ccc([N-]S(=O)(=O)c4ccc(-c5ccccc5)cc4)cc3)n2)cc1 ZINC000100957637 554540655 /nfs/dbraw/zinc/54/06/55/554540655.db2.gz FKSUXUPGGJCEGO-UHFFFAOYSA-N -1 3 537.645 6.749 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000101075942 554577405 /nfs/dbraw/zinc/57/74/05/554577405.db2.gz BOSBRCJAAOCVFI-UBFVSLLYSA-N -1 3 584.253 7.067 50 0 KKAAHM O=C([N-]c1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1)c1ccc(Br)o1 ZINC000101088424 554581167 /nfs/dbraw/zinc/58/11/67/554581167.db2.gz VSBJIBBWLIIUEU-UHFFFAOYSA-N -1 3 601.482 6.268 50 0 KKAAHM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000101107631 554640226 /nfs/dbraw/zinc/64/02/26/554640226.db2.gz FENAJJSBOYTMHK-UUQNIDNHSA-N -1 3 511.581 5.328 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101148367 554656599 /nfs/dbraw/zinc/65/65/99/554656599.db2.gz AVFPRVAOUSFFCL-VJGNERBWSA-N -1 3 508.505 5.096 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101185776 554668962 /nfs/dbraw/zinc/66/89/62/554668962.db2.gz RPAOVPSORWAUDF-JVPIYLDOSA-N -1 3 525.048 6.237 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101192935 554671286 /nfs/dbraw/zinc/67/12/86/554671286.db2.gz JWKRFLWMYGXAHP-NLDZOOGBSA-N -1 3 530.621 5.714 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101220372 554686353 /nfs/dbraw/zinc/68/63/53/554686353.db2.gz CMVWLEGROGMBLI-PFBJBMPXSA-N -1 3 504.558 5.454 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101237433 554691956 /nfs/dbraw/zinc/69/19/56/554691956.db2.gz ACMGXGJEOXNCQB-PFBJBMPXSA-N -1 3 521.013 5.969 50 0 KKAAHM CCc1ccc([C@H]2C(c3nc4ccccc4s3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000101344594 554736784 /nfs/dbraw/zinc/73/67/84/554736784.db2.gz VFGGWGKHJIUZSF-QHCPKHFHSA-N -1 3 542.711 7.060 50 0 KKAAHM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1 ZINC000101537937 554795781 /nfs/dbraw/zinc/79/57/81/554795781.db2.gz JXJBGYDJDVXMEH-UHFFFAOYSA-N -1 3 536.588 5.307 50 0 KKAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCN(c1ccc(Cl)nc1)C2 ZINC000101776598 554837870 /nfs/dbraw/zinc/83/78/70/554837870.db2.gz DUDQYEOJFGTMPR-UHFFFAOYSA-N -1 3 531.890 5.484 50 0 KKAAHM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)CC)C4)cc(I)c1[O-] ZINC000102089182 554877267 /nfs/dbraw/zinc/87/72/67/554877267.db2.gz LQHSZEPHOATKTF-RNODOKPDSA-N -1 3 540.467 6.427 50 0 KKAAHM Cc1ccc(-n2ncc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102131631 554885497 /nfs/dbraw/zinc/88/54/97/554885497.db2.gz UYBREZRCAIDUEN-UHFFFAOYSA-N -1 3 532.538 6.104 50 0 KKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1 ZINC000102278600 554906524 /nfs/dbraw/zinc/90/65/24/554906524.db2.gz BKGIHACGCMCYCN-UHFFFAOYSA-N -1 3 521.986 5.111 50 0 KKAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000102619307 554985972 /nfs/dbraw/zinc/98/59/72/554985972.db2.gz FRNMCCLTSOLDDM-UHFFFAOYSA-N -1 3 567.903 7.913 50 0 KKAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000102744994 555036390 /nfs/dbraw/zinc/03/63/90/555036390.db2.gz UPXBEVAYFJAZCX-FKBYEOEOSA-N -1 3 559.247 5.324 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102745155 555037018 /nfs/dbraw/zinc/03/70/18/555037018.db2.gz AXWGVJBZYGTVMO-MPFGFTFXSA-N -1 3 534.568 5.274 50 0 KKAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102747460 555041130 /nfs/dbraw/zinc/04/11/30/555041130.db2.gz HOFYLJBFMFOMSY-UPRLRBBYSA-N -1 3 504.542 5.265 50 0 KKAAHM O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102752987 555045123 /nfs/dbraw/zinc/04/51/23/555045123.db2.gz AVFPRVAOUSFFCL-ZONZVBGPSA-N -1 3 508.505 5.096 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102755079 555047041 /nfs/dbraw/zinc/04/70/41/555047041.db2.gz KPHCPOAPZBEPFP-IDZRBWSNSA-N -1 3 538.575 5.855 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102763243 555053786 /nfs/dbraw/zinc/05/37/86/555053786.db2.gz HEIXCPSUDITZCJ-PCCBWWKXSA-N -1 3 517.301 5.519 50 0 KKAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102766497 555055261 /nfs/dbraw/zinc/05/52/61/555055261.db2.gz HLOTYTHFZXMWAA-TWJOJJKGSA-N -1 3 529.390 5.662 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccc(Cl)cc1Cl ZINC000102860602 555090945 /nfs/dbraw/zinc/09/09/45/555090945.db2.gz FTDBOAQUTSQRPF-RJGXRXQPSA-N -1 3 559.471 6.208 50 0 KKAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102861287 555091600 /nfs/dbraw/zinc/09/16/00/555091600.db2.gz BOQFXVGHBOHFIB-TZRRMPRUSA-N -1 3 537.037 5.426 50 0 KKAAHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc(C)cc1 ZINC000102863231 555092916 /nfs/dbraw/zinc/09/29/16/555092916.db2.gz ZIJMFWKGPORGGN-BHIFYINESA-N -1 3 510.999 5.164 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102866801 555095969 /nfs/dbraw/zinc/09/59/69/555095969.db2.gz IZYUSRPEZVHJJA-SSBOKUKZSA-N -1 3 555.417 7.458 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102868508 555098013 /nfs/dbraw/zinc/09/80/13/555098013.db2.gz HPNZLCQQRNYUOT-MPFGFTFXSA-N -1 3 555.417 7.458 50 0 KKAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102888440 555121398 /nfs/dbraw/zinc/12/13/98/555121398.db2.gz KOCHPUKKFCJRIZ-UNMGZEBXSA-N -1 3 550.655 5.682 50 0 KKAAHM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102939248 555167789 /nfs/dbraw/zinc/16/77/89/555167789.db2.gz JKULYHKRRDFIBT-QFIPXVFZSA-N -1 3 522.520 5.345 50 0 KKAAHM Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102939437 555168100 /nfs/dbraw/zinc/16/81/00/555168100.db2.gz SNGMRMBPMRGBST-UHFFFAOYSA-N -1 3 525.866 7.223 50 0 KKAAHM Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102967221 555180401 /nfs/dbraw/zinc/18/04/01/555180401.db2.gz CBSLRELNBBCRLD-UHFFFAOYSA-N -1 3 532.087 5.318 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)c2)cc1 ZINC000102974595 555184429 /nfs/dbraw/zinc/18/44/29/555184429.db2.gz KNDBLKASNKIOCS-ZRZAMGCNSA-N -1 3 626.801 5.015 50 0 KKAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc1C)CCCC2 ZINC000102975368 555185320 /nfs/dbraw/zinc/18/53/20/555185320.db2.gz IIMBHHURKARDTH-GOSISDBHSA-N -1 3 600.715 5.105 50 0 KKAAHM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000102992866 555193459 /nfs/dbraw/zinc/19/34/59/555193459.db2.gz WMQCEIZDNLILDG-UHFFFAOYSA-N -1 3 599.775 5.547 50 0 KKAAHM COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102994111 555194076 /nfs/dbraw/zinc/19/40/76/555194076.db2.gz COFZSZMPUGJTFT-UHFFFAOYSA-N -1 3 543.856 6.254 50 0 KKAAHM COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000102994126 555194245 /nfs/dbraw/zinc/19/42/45/555194245.db2.gz IFLYAVCICYNWGK-UHFFFAOYSA-N -1 3 576.030 5.198 50 0 KKAAHM CCC[C@H](C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1)c1ccccc1 ZINC000103026768 555216707 /nfs/dbraw/zinc/21/67/07/555216707.db2.gz OAXMXJNUVJSUAC-FQEVSTJZSA-N -1 3 531.472 6.089 50 0 KKAAHM Cc1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c2ccccc2n1 ZINC000103049955 555232243 /nfs/dbraw/zinc/23/22/43/555232243.db2.gz KMXUGAHEEJBVHI-UHFFFAOYSA-N -1 3 535.069 6.240 50 0 KKAAHM CCOC([O-])=NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000103079327 555258083 /nfs/dbraw/zinc/25/80/83/555258083.db2.gz OFUMJROVQYFOMP-NURJGKTBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)[N-]C(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C(C)(C)C)CC2=Cc1ccc2c(c1)OCO2 ZINC000103079327 555258084 /nfs/dbraw/zinc/25/80/84/555258084.db2.gz OFUMJROVQYFOMP-NURJGKTBSA-N -1 3 544.604 5.542 50 0 KKAAHM CCOC(=O)c1[n-]c(COC(=O)c2c3ccccc3nc3c2CCC/C3=C/c2ccc(O)cc2)c(C(=O)OCC)c1C ZINC000103140879 555310452 /nfs/dbraw/zinc/31/04/52/555310452.db2.gz IKBZCNMGIHTOJW-FXBPSFAMSA-N -1 3 568.626 6.164 50 0 KKAAHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(Cl)cc1)c(F)cc2[O-] ZINC000220383392 562878445 /nfs/dbraw/zinc/87/84/45/562878445.db2.gz GKKHXSFPYJSHCX-UHFFFAOYSA-N -1 3 585.985 8.824 50 0 KKAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105796506 571408937 /nfs/dbraw/zinc/40/89/37/571408937.db2.gz CXTVRUVNZZWPLP-CKOYEXALSA-N -1 3 570.645 6.869 50 0 KKAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105990184 571410041 /nfs/dbraw/zinc/41/00/41/571410041.db2.gz HXMUMYVNZGBUIT-MPFGFTFXSA-N -1 3 585.454 6.088 50 0 KKAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000105990290 571410097 /nfs/dbraw/zinc/41/00/97/571410097.db2.gz SMGNYNJBBTYXOB-OJDZSJEKSA-N -1 3 558.675 6.494 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000106018079 571410464 /nfs/dbraw/zinc/41/04/64/571410464.db2.gz FBSHMUUKVBFUCM-JCYYIGJDSA-N -1 3 555.428 6.079 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000106020960 571410921 /nfs/dbraw/zinc/41/09/21/571410921.db2.gz UXFKNZYGKMLBPR-XWHIBYANSA-N -1 3 564.638 6.114 50 0 KKAAHM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4ccc5c(=O)c(-c6ccc([O-])cc6)coc5c43)cc2OC)cc1 ZINC000108447685 571423785 /nfs/dbraw/zinc/42/37/85/571423785.db2.gz MJXLJJUGLAHVOK-SANMLTNESA-N -1 3 564.590 6.245 50 0 biogenic KKAAHM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc([O-])cc5)coc4c32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000108451094 571425522 /nfs/dbraw/zinc/42/55/22/571425522.db2.gz OATSUXVBLRNRPR-SANMLTNESA-N -1 3 576.601 6.172 50 0 biogenic KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000137836536 571450726 /nfs/dbraw/zinc/45/07/26/571450726.db2.gz WKXZDSIZVUCERD-CCDWMCETSA-N -1 3 505.357 6.305 50 0 KKAAHM CCOC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC ZINC000150406510 571479705 /nfs/dbraw/zinc/47/97/05/571479705.db2.gz AEBVVKPISWNUNA-UHFFFAOYSA-N -1 3 675.446 6.070 50 0 KKAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)CC2)c1C ZINC000150407940 571480448 /nfs/dbraw/zinc/48/04/48/571480448.db2.gz NKYQDDACWCJNMI-UHFFFAOYSA-N -1 3 675.273 5.250 50 0 KKAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)c(S(=O)(=O)[N-]c4ccccc4Cl)c3)CC2)c1C ZINC000150408327 571480618 /nfs/dbraw/zinc/48/06/18/571480618.db2.gz LBLULOHKKRFCEQ-UHFFFAOYSA-N -1 3 673.301 6.404 50 0 KKAAHM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000150408281 571480780 /nfs/dbraw/zinc/48/07/80/571480780.db2.gz MKLPEFOWJOEAOR-UHFFFAOYSA-N -1 3 653.610 5.058 50 0 KKAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150414764 571485339 /nfs/dbraw/zinc/48/53/39/571485339.db2.gz YIFRWDZXGTYRFT-UBFVSLLYSA-N -1 3 631.253 6.909 50 0 KKAAHM CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2nc3ccsc3c(=O)n2[N-]C(=O)COc2ccccc2Br)cc1 ZINC000150428495 571492075 /nfs/dbraw/zinc/49/20/75/571492075.db2.gz VVCQBDSZQMMMKQ-NRFANRHFSA-N -1 3 645.557 5.056 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3cc(C)ccc3OC)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000150431935 571493890 /nfs/dbraw/zinc/49/38/90/571493890.db2.gz KLLQOBAMTAXTMM-UHFFFAOYSA-N -1 3 671.797 6.338 50 0 KKAAHM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000150436058 571496048 /nfs/dbraw/zinc/49/60/48/571496048.db2.gz MXBQPQZLXCNBNW-UHFFFAOYSA-N -1 3 636.151 5.761 50 0 KKAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(Cc4ccccc4)c4ccc(OC)cc4)c3)cc2)cc1 ZINC000150447827 571501474 /nfs/dbraw/zinc/50/14/74/571501474.db2.gz PBPSRSWLGUIFJM-UHFFFAOYSA-N -1 3 657.770 6.152 50 0 KKAAHM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3N3CCOCC3)CC2)c1C ZINC000150451138 571502836 /nfs/dbraw/zinc/50/28/36/571502836.db2.gz MVURLFGMEGVPIG-UHFFFAOYSA-N -1 3 675.273 5.250 50 0 KKAAHM COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(SC2=C(Nc3ccc(C(C)C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000150457943 571505329 /nfs/dbraw/zinc/50/53/29/571505329.db2.gz PFRHRMIYWOVWRY-UHFFFAOYSA-N -1 3 645.759 6.116 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150461311 571506413 /nfs/dbraw/zinc/50/64/13/571506413.db2.gz JXTCYNUWDWHGMN-MRXNPFEDSA-N -1 3 637.929 5.429 50 0 KKAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150462354 571506592 /nfs/dbraw/zinc/50/65/92/571506592.db2.gz LDZXQZQOJQBNCF-OAHLLOKOSA-N -1 3 672.374 6.083 50 0 KKAAHM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCCC4)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150541161 571520663 /nfs/dbraw/zinc/52/06/63/571520663.db2.gz LTSDWZTVMYZZLM-DHUJRADRSA-N -1 3 722.960 7.752 50 0 KKAAHM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 ZINC000150683442 571529040 /nfs/dbraw/zinc/52/90/40/571529040.db2.gz LRGYBFLJIOVOAW-KYDXGADESA-N -1 3 724.327 6.654 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226820310 572142041 /nfs/dbraw/zinc/14/20/41/572142041.db2.gz UUZJMAIIODEPQS-UPRLRBBYSA-N -1 3 538.531 5.105 50 0 KKAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226815431 572142059 /nfs/dbraw/zinc/14/20/59/572142059.db2.gz QUTMYCXWAXWEMC-JIMJEQGWSA-N -1 3 541.431 6.232 50 0 KKAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226821135 572142757 /nfs/dbraw/zinc/14/27/57/572142757.db2.gz LRMJHMLBWTVHRI-JIMJEQGWSA-N -1 3 541.431 6.232 50 0 KKAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000226826948 572142869 /nfs/dbraw/zinc/14/28/69/572142869.db2.gz KHQGCGYRQIVSDU-KKUQBAQOSA-N -1 3 519.384 6.613 50 0 KKAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227017630 572146574 /nfs/dbraw/zinc/14/65/74/572146574.db2.gz QBPQPBWTXZKNEU-UPRLRBBYSA-N -1 3 617.427 5.867 50 0 KKAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1 ZINC000229931674 572170881 /nfs/dbraw/zinc/17/08/81/572170881.db2.gz UXFKNZYGKMLBPR-DCMFLLSESA-N -1 3 564.638 6.114 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1I)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000229954949 572173859 /nfs/dbraw/zinc/17/38/59/572173859.db2.gz FDJLEYGRIBCKQC-ISJGIBHGSA-N -1 3 631.253 6.909 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000229973709 572175890 /nfs/dbraw/zinc/17/58/90/572175890.db2.gz GWPAFWXSQKUICE-PWRODBHTSA-N -1 3 528.200 5.263 50 0 KKAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1cc2ccccc2nc1Cl ZINC000229991938 572177076 /nfs/dbraw/zinc/17/70/76/572177076.db2.gz KQNQGMTYKQPGDF-YTFSRNRJSA-N -1 3 534.797 5.702 50 0 KKAAHM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000229998866 572177598 /nfs/dbraw/zinc/17/75/98/572177598.db2.gz WFPBKOUFZWTAQN-DCMQHHMNSA-N -1 3 528.583 6.072 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000230035473 572180766 /nfs/dbraw/zinc/18/07/66/572180766.db2.gz MENVRHRUVZKQLR-ISJGIBHGSA-N -1 3 537.410 5.298 50 0 KKAAHM Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000230189604 572185059 /nfs/dbraw/zinc/18/50/59/572185059.db2.gz GKAZYFQOEUZNOQ-CTMYTVLESA-N -1 3 528.608 6.143 50 0 KKAAHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000238900762 572189020 /nfs/dbraw/zinc/18/90/20/572189020.db2.gz JTYPFJWUCDYBCH-YPAWHYETSA-N -1 3 579.889 6.553 50 0 KKAAHM O=C(c1ccc(Cl)cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245239875 572213511 /nfs/dbraw/zinc/21/35/11/572213511.db2.gz GNKJRLMXOWXUNH-YGGCMVMVSA-N -1 3 549.001 6.335 50 0 KKAAHM Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245246143 572218645 /nfs/dbraw/zinc/21/86/45/572218645.db2.gz JLXABJXTIHIMBM-UODPJZIASA-N -1 3 565.094 6.956 50 0 KKAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245246809 572219858 /nfs/dbraw/zinc/21/98/58/572219858.db2.gz OQXIXKSPTORELV-MFUXGYHDSA-N -1 3 571.485 6.911 50 0 KKAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245246798 572219870 /nfs/dbraw/zinc/21/98/70/572219870.db2.gz OEULSDVNRAXMCN-OZNIXHKMSA-N -1 3 575.042 5.467 50 0 KKAAHM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245309107 572227153 /nfs/dbraw/zinc/22/71/53/572227153.db2.gz BCEGFARFUFCHIC-DCMQHHMNSA-N -1 3 528.583 5.990 50 0 KKAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000245312070 572229939 /nfs/dbraw/zinc/22/99/39/572229939.db2.gz SBRNQJTWTNZDQK-FULLSBAXSA-N -1 3 512.650 6.347 50 0 KKAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000245312888 572230428 /nfs/dbraw/zinc/23/04/28/572230428.db2.gz YLDPQEKCJYKKRK-WXFUMESZSA-N -1 3 507.384 5.289 50 0 KKAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000245325941 572231994 /nfs/dbraw/zinc/23/19/94/572231994.db2.gz IBILEQVHJPEGSC-DNVJHFABSA-N -1 3 511.347 5.038 50 0 KKAAHM Cc1ccc(Nc2nc(N=NC(C)c3ccc(Cl)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000252638740 572272139 /nfs/dbraw/zinc/27/21/39/572272139.db2.gz YFOFMAQHRJRRLY-UHFFFAOYSA-N -1 3 502.966 6.373 50 0 KKAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3c4ccccc4cc4ccccc43)nc(N3CCOCC3)n2)cc1 ZINC000252641494 572272370 /nfs/dbraw/zinc/27/23/70/572272370.db2.gz ZDKLRKQBKTYNIY-UHFFFAOYSA-N -1 3 520.553 5.112 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396085 572283928 /nfs/dbraw/zinc/28/39/28/572283928.db2.gz AUSQXERVLUTFPV-RGJYROARSA-N -1 3 735.783 5.257 50 0 KKAAHM COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253414907 572289210 /nfs/dbraw/zinc/28/92/10/572289210.db2.gz ZAPICERQPURZKN-WMELESEDSA-N -1 3 763.793 5.174 50 0 KKAAHM